NPASS Compound

Structure

Physi-Chem Properties

MedChem Properties

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

ADMET: Distribution

ADMET: Metabolism

ADMET: Excretion

ADMET: Toxicity

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General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs

Natural Product: NPC315403

*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference

☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

NP Quantity Composition/Concentration

Organism ID	NP ID	Organism Material Preparation	Organism Part	NP Quantity (Standard)	NP Quantity (Minimum)	NP Quantity (Maximum)	Quantity Unit	Reference

☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

Biological Activity

Activity Type	# Activity
AC50	2
IC50	13
Kd	3
Ki	306
LD50	1
MIC	27
Others	387
Potency	30

Activity Type	# Activity
Cell Line	3
Individual Protein	279
NON-MOLECULAR	12
Organism	299
Others	152
PHENOTYPE	14
PROTEIN FAMILY	4
SINGLE PROTEIN	9

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452931]
NPT1061	Individual Protein	Carbonic anhydrase XIII	Mus musculus	Ki	=	32.0	nM	PMID[452931]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452934]
NPT1062	Individual Protein	Carbonic anhydrase IV	Homo sapiens	Ki	=	3000.0	nM	PMID[452934]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452935]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452936]
NPT4287	Individual Protein	Carbonic anhydrase IV	Bos taurus	Ki	=	3000.0	nM	PMID[452936]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452938]
NPT4287	Individual Protein	Carbonic anhydrase IV	Bos taurus	Ki	=	3000.0	nM	PMID[452938]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452939]
NPT4287	Individual Protein	Carbonic anhydrase IV	Bos taurus	Ki	=	3000.0	nM	PMID[452939]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	3333496.47	nM	PMID[452941]
NPT4287	Individual Protein	Carbonic anhydrase IV	Bos taurus	Ki	=	2999853181190.79	nM	PMID[452941]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452943]
NPT4287	Individual Protein	Carbonic anhydrase IV	Bos taurus	Ki	=	3000.0	nM	PMID[452943]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452946]
NPT4287	Individual Protein	Carbonic anhydrase IV	Bos taurus	Ki	=	3000.0	nM	PMID[452946]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452947]
NPT4287	Individual Protein	Carbonic anhydrase IV	Bos taurus	Ki	=	3000.0	nM	PMID[452947]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452949]
NPT4287	Individual Protein	Carbonic anhydrase IV	Bos taurus	Ki	=	3000.0	nM	PMID[452949]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452950]
NPT4287	Individual Protein	Carbonic anhydrase IV	Bos taurus	Ki	=	3000.0	nM	PMID[452950]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452954]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452956]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Selectivity	=	1.02	n.a.	PMID[452956]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452957]
NPT1061	Individual Protein	Carbonic anhydrase XIII	Mus musculus	Ki	=	32.0	nM	PMID[452957]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452958]
NPT4287	Individual Protein	Carbonic anhydrase IV	Bos taurus	Ki	=	3000.0	nM	PMID[452958]
NPT1062	Individual Protein	Carbonic anhydrase IV	Homo sapiens	Ki	=	9760.0	nM	PMID[452958]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452959]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	IC50	=	2400.0	nM	PMID[452961]
NPT1143	Individual Protein	Carbonic anhydrase VA	Homo sapiens	IC50	=	32000.0	nM	PMID[452961]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300000.0	nM	PMID[452962]
NPT4793	Individual Protein	Carbonic anhydrase	Methanosarcina thermophila	Ki	=	250.0	nM	PMID[452962]
NPT4793	Individual Protein	Carbonic anhydrase	Methanosarcina thermophila	Ki	=	3930.0	nM	PMID[452962]
NPT1150	Individual Protein	Carbonic anhydrase	Methanobacterium thermoautotrophicum	Ki	=	57800.0	nM	PMID[452962]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452963]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452964]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[452965]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452966]
NPT1143	Individual Protein	Carbonic anhydrase VA	Homo sapiens	Ki	=	32000.0	nM	PMID[452966]
NPT1144	Individual Protein	Carbonic anhydrase VB	Homo sapiens	Ki	=	3650.0	nM	PMID[452966]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452967]
NPT5945	Individual Protein	Carbonic anhydrase 1	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Ki	=	454.0	nM	PMID[452967]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	3333496.47	nM	PMID[452968]
NPT4287	Individual Protein	Carbonic anhydrase IV	Bos taurus	Ki	=	2999853181190.79	nM	PMID[452968]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452969]
NPT5945	Individual Protein	Carbonic anhydrase 1	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Ki	=	431.0	nM	PMID[452969]
NPT1063	Individual Protein	Carbonic anhydrase VI	Homo sapiens	Ki	=	941.0	nM	PMID[452970]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452970]
NPT212	Individual Protein	Cytochrome P450 2C9	Homo sapiens	Inhibition	=	-17.8	%	PMID[452971]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Kinact	=	240.0	nM	PMID[452974]
NPT1146	Individual Protein	Carbonic anhydrase III	Homo sapiens	Ki	=	988000.0	nM	PMID[452975]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452979]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452981]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452982]
NPT1145	Individual Protein	Carbonic anhydrase	Saccharomyces cerevisiae S288c	Ki	=	18500.0	nM	PMID[452982]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452983]
NPT1063	Individual Protein	Carbonic anhydrase VI	Homo sapiens	Ki	=	941.0	nM	PMID[452983]
NPT1147	Individual Protein	Carbonic anhydrase 15	Mus musculus	Ki	=	9610.0	nM	PMID[452983]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452984]
NPT3156	Individual Protein	Uncharacterized protein Rv1284/MT1322	Mycobacterium tuberculosis	Ki	=	9840.0	nM	PMID[452984]
NPT1148	Individual Protein	Carbonic anhydrase	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Ki	=	7627.0	nM	PMID[452986]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452986]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452987]
NPT1064	Individual Protein	Alpha carbonic anhydrase	Stylophora pistillata	Ki	=	364.0	nM	PMID[452987]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452988]
NPT5946	Individual Protein	Carbonic anhydrase	Mycobacterium tuberculosis	Ki	=	29600.0	nM	PMID[452988]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452989]
NPT1146	Individual Protein	Carbonic anhydrase III	Homo sapiens	Ki	=	988.0	nM	PMID[452989]
NPT1062	Individual Protein	Carbonic anhydrase IV	Homo sapiens	Ki	=	9760.0	nM	PMID[452989]
NPT1143	Individual Protein	Carbonic anhydrase VA	Homo sapiens	Ki	=	32000.0	nM	PMID[452989]
NPT1144	Individual Protein	Carbonic anhydrase VB	Homo sapiens	Ki	=	3650.0	nM	PMID[452989]
NPT1063	Individual Protein	Carbonic anhydrase VI	Homo sapiens	Ki	=	941.0	nM	PMID[452989]
NPT3101	Individual Protein	Carbonic anhydrase XIII	Homo sapiens	Ki	=	32.0	nM	PMID[452989]
NPT1147	Individual Protein	Carbonic anhydrase 15	Mus musculus	Ki	=	9610.0	nM	PMID[452989]
NPT1144	Individual Protein	Carbonic anhydrase VB	Homo sapiens	Kinact	=	3650.0	nM	PMID[452991]
NPT1143	Individual Protein	Carbonic anhydrase VA	Homo sapiens	Kinact	=	32000.0	nM	PMID[452991]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Kinact	=	0.24	uM	PMID[452991]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452992]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	3334264.13	nM	PMID[452993]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452994]
NPT210	Individual Protein	Thyroid stimulating hormone receptor	Homo sapiens	Potency	=	1000.0	nM	PMID[452995]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	=	35481.3	nM	PMID[452995]
NPT45	Individual Protein	Ubiquitin carboxyl-terminal hydrolase 2	Homo sapiens	Potency	=	10000.0	nM	PMID[452996]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452997]
NPT3156	Individual Protein	Uncharacterized protein Rv1284/MT1322	Mycobacterium tuberculosis	Ki	=	9230.0	nM	PMID[452997]
NPT3155	Individual Protein	PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	Mycobacterium tuberculosis	Ki	=	6240.0	nM	PMID[452997]
NPT1218	Individual Protein	Carbonic anhydrase II	Bos taurus	Ki	=	25118.86	nM	PMID[452999]
NPT1218	Individual Protein	Carbonic anhydrase II	Bos taurus	Ki	=	851.14	nM	PMID[452999]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[452998]
NPT1063	Individual Protein	Carbonic anhydrase VI	Homo sapiens	Ki	=	941.0	nM	PMID[452998]
NPT1064	Individual Protein	Alpha carbonic anhydrase	Stylophora pistillata	Ki	=	364.0	nM	PMID[452998]
NPT1065	Individual Protein	Carbonic anhydrase	Stylophora pistillata	Ki	=	300.0	nM	PMID[452998]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453000]
NPT3155	Individual Protein	PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	Mycobacterium tuberculosis	Ki	=	7110.0	nM	PMID[453001]
NPT3156	Individual Protein	Uncharacterized protein Rv1284/MT1322	Mycobacterium tuberculosis	Ki	=	9840.0	nM	PMID[453001]
NPT1148	Individual Protein	Carbonic anhydrase	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Ki	=	7630.0	nM	PMID[453001]
NPT3157	Individual Protein	Carbonic anhydrase 2	Cryptococcus neoformans var. grubii	Ki	=	770.0	nM	PMID[453001]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453001]
NPT1148	Individual Protein	Carbonic anhydrase	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	FC	=	2.3	n.a.	PMID[453001]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453005]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453006]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453007]
NPT135	Individual Protein	Chromobox protein homolog 1	Homo sapiens	Potency	n.a.	79432.8	nM	PMID[453009]
NPT5280	Individual Protein	Astrosclerin-3	Astrosclera willeyana	Ki	=	7700.0	nM	PMID[453012]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453012]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453013]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453014]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	363.0	nM	PMID[453014]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	296.0	nM	PMID[453014]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453015]
NPT3157	Individual Protein	Carbonic anhydrase 2	Cryptococcus neoformans var. grubii	Ki	=	765.0	nM	PMID[453015]
NPT1148	Individual Protein	Carbonic anhydrase	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Ki	=	7627.0	nM	PMID[453015]
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	80.0	nM	PMID[453017]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	90.0	nM	PMID[453017]
NPT111	Cell Line	K562	Homo sapiens	IC50	=	200.0	nM	PMID[453017]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453019]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	10100.0	nM	PMID[453020]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453021]
NPT1151	Individual Protein	Carbonic anhydrase	Candida glabrata CBS 138	Ki	=	8011.0	nM	PMID[453022]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[453023]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	IC50	=	260.0	nM	PMID[453025]
NPT3101	Individual Protein	Carbonic anhydrase XIII	Homo sapiens	Ki	=	35.0	nM	PMID[453028]
NPT1063	Individual Protein	Carbonic anhydrase VI	Homo sapiens	Ki	=	941.0	nM	PMID[453028]
NPT1143	Individual Protein	Carbonic anhydrase VA	Homo sapiens	Ki	=	32000.0	nM	PMID[453028]
NPT1062	Individual Protein	Carbonic anhydrase IV	Homo sapiens	Ki	=	9760.0	nM	PMID[453028]
NPT1146	Individual Protein	Carbonic anhydrase III	Homo sapiens	Ki	>	100000.0	nM	PMID[453028]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453028]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453029]
NPT5947	Individual Protein	Delta carbonic anhydrase	Thalassiosira weissflogii	Ki	=	181.0	nM	PMID[453029]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	300.0	nM	PMID[453034]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	28000.0	nM	PMID[453036]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453037]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453039]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453040]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453041]
NPT5948	Individual Protein	AGAP002992-PA	Anopheles gambiae	Ki	=	862.0	nM	PMID[453042]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453042]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453045]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	628.0	nM	PMID[453046]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453047]
NPT5949	Individual Protein	Carbonate dehydratase	Sulfurihydrogenibium sp. (strain YO3AOP1)	Ki	=	652.0	nM	PMID[453047]
NPT5278	Individual Protein	Carbonic anhydrase, alpha family	Thiomicrospira crunogena (strain XCL-2)	Ki	=	628.0	nM	PMID[453047]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453048]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453049]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453050]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453051]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	K	=	0.2053	/s	PMID[453052]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	K	=	3.7	10'4/M/s	PMID[453052]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Kd	=	5550.0	nM	PMID[453052]
NPT1218	Individual Protein	Carbonic anhydrase II	Bos taurus	Kd	=	5880.0	nM	PMID[453052]
NPT1218	Individual Protein	Carbonic anhydrase II	Bos taurus	K	=	2.3	10'4/M/s	PMID[453052]
NPT1218	Individual Protein	Carbonic anhydrase II	Bos taurus	K	=	0.133	/s	PMID[453052]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453054]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	IC50	=	7500.0	nM	PMID[453055]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453056]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453057]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	>	1000.0	nM	PMID[453061]
NPT204	Individual Protein	Acetylcholinesterase	Homo sapiens	Inhibition	=	10.19	%	PMID[453062]
NPT204	Individual Protein	Acetylcholinesterase	Homo sapiens	IC50	=	145240.0	nM	PMID[453062]
NPT439	Individual Protein	Butyrylcholinesterase	Homo sapiens	Inhibition	=	5.19	%	PMID[453062]
NPT439	Individual Protein	Butyrylcholinesterase	Homo sapiens	IC50	=	138790.0	nM	PMID[453062]
NPT233	Individual Protein	Carbonic anhydrase II	Homo sapiens	Ki	=	240.0	nM	PMID[453065]
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	34843.6	nM	PubChem BioAssay data set
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452931]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[452931]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[452932]
NPT35	Others	n.a.		pKa	=	10.43	n.a.	PMID[452933]
NPT2	Others	Unspecified		EII50	=	25.0	n.a.	PMID[452933]
NPT22603	SINGLE PROTEIN	Dihydropteroate synthase	Escherichia coli K-12	GII50	=	25000.0	n.a.	PMID[452933]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452934]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452935]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452936]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[452936]
NPT2	Others	Unspecified		Ki	=	130000.0	nM	PMID[452937]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452938]
NPT2	Others	Unspecified		Ki	=	1360.0	nM	PMID[452938]
NPT2	Others	Unspecified		Ratio	=	0.22	n.a.	PMID[452938]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452939]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[452939]
NPT19	Organism	Escherichia coli	Escherichia coli	Zone of inhibition	=	20.4	mM	PMID[452940]
NPT19	Organism	Escherichia coli	Escherichia coli	Zone of inhibition	=	22.3	mM	PMID[452940]
NPT19	Organism	Escherichia coli	Escherichia coli	Zone of inhibition	=	22.8	mM	PMID[452940]
NPT19	Organism	Escherichia coli	Escherichia coli	Zone of inhibition	=	25.4	mM	PMID[452940]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28183829312644.49	nM	PMID[452941]
NPT22604	PROTEIN FAMILY	Carbonic anhydrase	Bos taurus	Log II50	=	0.0	n.a.	PMID[452942]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452943]
NPT27	Others	Unspecified		Inhibitor level	=	148.0	n.a.	PMID[452943]
NPT27	Others	Unspecified		Inhibitor level	=	151.0	n.a.	PMID[452943]
NPT27	Others	Unspecified		Inhibitor level	=	143.0	n.a.	PMID[452943]
NPT27	Others	Unspecified		Inhibitor level	=	159.0	n.a.	PMID[452943]
NPT27	Others	Unspecified		Inhibitor level	=	164.0	n.a.	PMID[452943]
NPT35	Others	n.a.		Log K	=	-0.0315	n.a.	PMID[452945]
NPT35	Others	n.a.		pKa	=	10.08	n.a.	PMID[452945]
NPT27	Others	Unspecified		-Log alpha	=	-2.98	n.a.	PMID[452945]
NPT19	Organism	Escherichia coli	Escherichia coli	-Log C	=	-2.11	n.a.	PMID[452945]
NPT19	Organism	Escherichia coli	Escherichia coli	-Log C	=	2.824	n.a.	PMID[452945]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452946]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452947]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452949]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452950]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	25.55	mm	PMID[452951]
NPT2	Others	Unspecified		Ki	=	43651583224016.66	nM	PMID[452952]
NPT27	Others	Unspecified		pC	=	-0.301	n.a.	PMID[452952]
NPT35	Others	n.a.		LogP	=	0.025	n.a.	PMID[452952]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	20.43	mm	PMID[452951]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	22.3	mm	PMID[452951]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	22.86	mm	PMID[452951]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[452953]
NPT949	Individual Protein	Carbonic anhydrase XII	Homo sapiens	Ki	=	37.0	nM	PMID[452953]
NPT954	Individual Protein	Carbonic anhydrase XIV	Homo sapiens	Ki	=	5400.0	nM	PMID[452953]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452954]
NPT949	Individual Protein	Carbonic anhydrase XII	Homo sapiens	Ki	=	37.0	nM	PMID[452954]
NPT19	Organism	Escherichia coli	Escherichia coli	Inhibition	=	16.5	mm	PMID[452955]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Inhibition	=	20.5	mm	PMID[452955]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Inhibition	=	22.5	mm	PMID[452955]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Inhibition	=	25.0	mm	PMID[452955]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Inhibition	=	7.0	mm	PMID[452955]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Inhibition	=	7.5	mm	PMID[452955]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	=	13.5	mm	PMID[452955]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	=	15.5	mm	PMID[452955]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	=	17.5	mm	PMID[452955]
NPT19	Organism	Escherichia coli	Escherichia coli	Inhibition	=	18.0	mm	PMID[452955]
NPT19	Organism	Escherichia coli	Escherichia coli	Inhibition	=	20.5	mm	PMID[452955]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	Inhibition	=	10.5	mm	PMID[452955]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	Inhibition	=	11.5	mm	PMID[452955]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	Inhibition	=	13.0	mm	PMID[452955]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452956]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[452956]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[452957]
NPT955	Individual Protein	Carbonic anhydrase VII	Homo sapiens	Ki	=	70.0	nM	PMID[452957]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452958]
NPT2	Others	Unspecified		Ratio	=	3.25	n.a.	PMID[452958]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452959]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[452959]
NPT5944	Others	Carbonic anhydrases; II & IX	Homo sapiens	Selectivity	=	1.02	n.a.	PMID[452959]
NPT27	Others	Unspecified		Log 1/C	=	-0.3	n.a.	PMID[452960]
NPT2	Others	Unspecified		Ki	=	23442.29	nM	PMID[452960]
NPT35	Others	n.a.		LogP	=	-1.6	n.a.	PMID[452960]
NPT2	Others	Unspecified		Selectivity	=	0.07	n.a.	PMID[452961]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452962]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294000.0	nM	PMID[452962]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452963]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[452963]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452964]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[452964]
NPT5944	Others	Carbonic anhydrases; II & IX	Homo sapiens	Ki	=	1.02	Ratio	PMID[452964]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[452965]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[452965]
NPT949	Individual Protein	Carbonic anhydrase XII	Homo sapiens	Ki	=	37.0	nM	PMID[452965]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[452967]
NPT2	Others	Unspecified		Ratio Ki	=	0.52	n.a.	PMID[452967]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28002705950106.27	nM	PMID[452968]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[452969]
NPT2	Others	Unspecified		Ratio Ki	=	0.55	n.a.	PMID[452969]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[452970]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	238.0	nM	PMID[452970]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	128.0	ug.mL-1	PMID[452972]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	>	512.0	ug.mL-1	PMID[452972]
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	>	512.0	ug.mL-1	PMID[452972]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	>	128.0	ug.mL-1	PMID[452972]
NPT5746	Organism	Vibrio	Vibrio	MIC	>	512.0	ug.mL-1	PMID[452972]
NPT3608	Organism	Salmonella enteritidis	Salmonella enterica subsp. enterica serovar Enteritidis	IZ	=	10.0	mm	PMID[452973]
NPT3608	Organism	Salmonella enteritidis	Salmonella enterica subsp. enterica serovar Enteritidis	IZ	=	12.0	mm	PMID[452973]
NPT3608	Organism	Salmonella enteritidis	Salmonella enterica subsp. enterica serovar Enteritidis	IZ	=	16.0	mm	PMID[452973]
NPT746	Organism	Pasteurella multocida	Pasteurella multocida	IZ	=	22.0	mm	PMID[452973]
NPT746	Organism	Pasteurella multocida	Pasteurella multocida	IZ	=	25.0	mm	PMID[452973]
NPT746	Organism	Pasteurella multocida	Pasteurella multocida	IZ	=	28.0	mm	PMID[452973]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Kinact	=	25000.0	nM	PMID[452974]
NPT2	Others	Unspecified		Kinact	=	454.0	nM	PMID[452974]
NPT2	Others	Unspecified		Kinact	=	1845.0	nM	PMID[452974]
NPT602	Organism	Mycobacterium smegmatis	Mycobacterium smegmatis	MIC50	>	100.0	ug.mL-1	PMID[452976]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	128.0	ug	PMID[452977]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	>	512.0	ug	PMID[452977]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	>	64.0	ug	PMID[452977]
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	>	512.0	ug	PMID[452977]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	>	128.0	ug	PMID[452977]
NPT5241	Organism	Vibrio sp.	Vibrio sp.	MIC	>	512.0	ug	PMID[452977]
NPT35	Others	n.a.		LogP	=	-0.62	n.a.	PMID[452978]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[452979]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[452979]
NPT949	Individual Protein	Carbonic anhydrase XII	Homo sapiens	Ki	=	37.0	nM	PMID[452979]
NPT27	Others	Unspecified		log Ks	=	2.76	n.a.	PMID[452980]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[452981]
NPT2	Others	Unspecified		Ki	=	9840.0	nM	PMID[452981]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[452982]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[452983]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	238.0	nM	PMID[452983]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[452984]
NPT2	Others	Unspecified		Ki	=	7110.0	nM	PMID[452984]
NPT2	Others	Unspecified		Ki	=	765.0	nM	PMID[452986]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[452986]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[452987]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[452989]
NPT955	Individual Protein	Carbonic anhydrase VII	Homo sapiens	Ki	=	70.0	nM	PMID[452989]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	238.0	nM	PMID[452989]
NPT949	Individual Protein	Carbonic anhydrase XII	Homo sapiens	Ki	=	37.0	nM	PMID[452989]
NPT954	Individual Protein	Carbonic anhydrase XIV	Homo sapiens	Ki	=	5400.0	nM	PMID[452989]
NPT22612	SINGLE PROTEIN	Carbonic anhydrase	Brucella suis biovar 1	Kinact	=	2500.0	nM	PMID[452990]
NPT2	Others	Unspecified		Selectivity ratio	=	120.0	n.a.	PMID[452991]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Kinact	=	25.0	uM	PMID[452991]
NPT2	Others	Unspecified		Ki	=	2500.0	nM	PMID[452992]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	>	5000.0	nM	PMID[452992]
NPT2	Others	Unspecified		Ratio	=	10.0	n.a.	PMID[452992]
NPT2	Others	Unspecified		Ratio	=	0.096	n.a.	PMID[452992]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[452994]
NPT2	Others	Unspecified		Ki	=	25400.0	nM	PMID[452994]
NPT2	Others	Unspecified		Ki	=	1086.0	nM	PMID[452997]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[452998]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453000]
NPT2	Others	Unspecified		Ki	=	2500.0	nM	PMID[453000]
NPT2	Others	Unspecified		Ki	=	5080.0	nM	PMID[453000]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453001]
NPT2	Others	Unspecified		Ratio Ki	=	3.5	n.a.	PMID[453001]
NPT2	Others	Unspecified		Ratio Ki	=	2.5	n.a.	PMID[453001]
NPT2	Others	Unspecified		Ratio Ki	=	3.3	n.a.	PMID[453001]
NPT2	Others	Unspecified		Ratio Ki	=	32.5	n.a.	PMID[453001]
NPT2	Others	Unspecified		Ratio Ki	=	0.03	n.a.	PMID[453001]
NPT2	Others	Unspecified		Ratio Ki	=	0.02	n.a.	PMID[453001]
NPT2	Others	Unspecified		Ratio Ki	=	0.3	n.a.	PMID[453001]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453005]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[453005]
NPT949	Individual Protein	Carbonic anhydrase XII	Homo sapiens	Ki	=	37.0	nM	PMID[453005]
NPT2	Others	Unspecified		Ratio Ki	=	85.0	n.a.	PMID[453005]
NPT2	Others	Unspecified		Ratio Ki	=	675.0	n.a.	PMID[453005]
NPT2	Others	Unspecified		Ratio Ki	=	0.81	n.a.	PMID[453005]
NPT2	Others	Unspecified		Ratio Ki	=	6.5	n.a.	PMID[453005]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453006]
NPT2	Others	Unspecified		Ki	=	6510.0	nM	PMID[453006]
NPT2	Others	Unspecified		Ki	=	8800.0	nM	PMID[453006]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453007]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[453007]
NPT949	Individual Protein	Carbonic anhydrase XII	Homo sapiens	Ki	=	37.0	nM	PMID[453007]
NPT2	Others	Unspecified		Ratio Ki	=	85.0	n.a.	PMID[453007]
NPT2	Others	Unspecified		Ratio Ki	=	675.0	n.a.	PMID[453007]
NPT2	Others	Unspecified		Ratio Ki	=	0.81	n.a.	PMID[453007]
NPT2	Others	Unspecified		Ratio Ki	=	6.5	n.a.	PMID[453007]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency	n.a.	4775.5	nM	PMID[453008]
NPT20596	PHENOTYPE	Hepatotoxicity	n.a.	HepSE_bilirubinemia	=	0.0	n.a.	PMID[453011]
NPT20596	PHENOTYPE	Hepatotoxicity	n.a.	HepSE_cholecystitis	=	0.0	n.a.	PMID[453011]
NPT20596	PHENOTYPE	Hepatotoxicity	n.a.	HepSE_cholelithiasis	=	0.0	n.a.	PMID[453011]
NPT20596	PHENOTYPE	Hepatotoxicity	n.a.	HepSE_cirrhosis	=	0.0	n.a.	PMID[453011]
NPT20596	PHENOTYPE	Hepatotoxicity	n.a.	HepSE_elevated liver function tests	=	0.0	n.a.	PMID[453011]
NPT20596	PHENOTYPE	Hepatotoxicity	n.a.	HepSE_hepatic failure	=	0.0	n.a.	PMID[453011]
NPT20596	PHENOTYPE	Hepatotoxicity	n.a.	HepSE_hepatic necrosis	=	0.0	n.a.	PMID[453011]
NPT20596	PHENOTYPE	Hepatotoxicity	n.a.	HepSE_hepatitis	=	0.0	n.a.	PMID[453011]
NPT20596	PHENOTYPE	Hepatotoxicity	n.a.	HepSE_hepatomegaly	=	0.0	n.a.	PMID[453011]
NPT20596	PHENOTYPE	Hepatotoxicity	n.a.	HepSE_jaundice	=	0.0	n.a.	PMID[453011]
NPT20596	PHENOTYPE	Hepatotoxicity	n.a.	HepSE_liver disease	=	0.0	n.a.	PMID[453011]
NPT20596	PHENOTYPE	Hepatotoxicity	n.a.	HepSE_liver fatty	=	0.0	n.a.	PMID[453011]
NPT20596	PHENOTYPE	Hepatotoxicity	n.a.	HepSE_liver function tests abnormal	=	0.0	n.a.	PMID[453011]
NPT20596	PHENOTYPE	Hepatotoxicity	n.a.	HepSE_Combined Scores	=	0.0	n.a.	PMID[453011]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453012]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	5000.0	nM	PMID[453013]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[453013]
NPT949	Individual Protein	Carbonic anhydrase XII	Homo sapiens	Ki	=	37.0	nM	PMID[453013]
NPT954	Individual Protein	Carbonic anhydrase XIV	Homo sapiens	Ki	=	5400.0	nM	PMID[453013]
NPT2	Others	Unspecified		Ki	=	251.0	nM	PMID[453014]
NPT2	Others	Unspecified		Ki	=	245.0	nM	PMID[453015]
NPT523	Organism	Malassezia furfur	Malassezia furfur	MIC	=	80.0	ug.mL-1	PMID[453015]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	160.0	ug.mL-1	PMID[453015]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	10.0	ug.mL-1	PMID[453015]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	80.0	ug.mL-1	PMID[453015]
NPT2	Others	Unspecified		Potency	n.a.	31622.8	nM	PMID[453009]
NPT2	Others	Unspecified		Ki	=	471.0	nM	PMID[453016]
NPT35	Others	n.a.		LogP	=	1.47	n.a.	PMID[453017]
NPT20	Organism	Candida albicans	Candida albicans	MIC	=	60.0	ug.mL-1	PMID[453018]
NPT21	Organism	Aspergillus niger	Aspergillus niger	MIC	=	50.0	ug.mL-1	PMID[453018]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	80.0	ug.mL-1	PMID[453018]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	65.0	ug.mL-1	PMID[453018]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	55.0	ug.mL-1	PMID[453018]
NPT314	Organism	Bacillus cereus	Bacillus cereus	MIC	=	55.0	ug.mL-1	PMID[453018]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	50.0	ug.mL-1	PMID[453018]
NPT2	Others	Unspecified		Ki	=	57300.0	nM	PMID[453019]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453019]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[453020]
NPT2	Others	Unspecified		Ki	=	69310.0	nM	PMID[453020]
NPT2	Others	Unspecified		Ratio Ki	=	6.5	n.a.	PMID[453021]
NPT2	Others	Unspecified		Ratio Ki	=	0.8	n.a.	PMID[453021]
NPT2	Others	Unspecified		Ratio Ki	=	675.0	n.a.	PMID[453021]
NPT2	Others	Unspecified		Ratio Ki	=	85.0	n.a.	PMID[453021]
NPT949	Individual Protein	Carbonic anhydrase XII	Homo sapiens	Ki	=	37.0	nM	PMID[453021]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[453021]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453021]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[453023]
NPT2	Others	Unspecified		Ki	=	803.0	nM	PMID[453023]
NPT2	Others	Unspecified		Ki	=	316.0	nM	PMID[453023]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	IC50	=	290.0	nM	PMID[453025]
NPT2	Others	Unspecified		Ki	=	9251.0	nM	PMID[453026]
NPT73	Individual Protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	113.76	%	PMID[453027]
NPT72	Individual Protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	155.79	%	PMID[453027]
NPT954	Individual Protein	Carbonic anhydrase XIV	Homo sapiens	Ki	=	5400.0	nM	PMID[453028]
NPT949	Individual Protein	Carbonic anhydrase XII	Homo sapiens	Ki	=	37.0	nM	PMID[453028]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	238.0	nM	PMID[453028]
NPT955	Individual Protein	Carbonic anhydrase VII	Homo sapiens	Ki	=	70.0	nM	PMID[453028]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453028]
NPT2	Others	Unspecified		Ki	=	9251.0	nM	PMID[453029]
NPT2	Others	Unspecified		Ki	=	893.0	nM	PMID[453029]
NPT2	Others	Unspecified		Ki	=	250.0	nM	PMID[453030]
NPT2	Others	Unspecified		Ki	=	893.0	nM	PMID[453030]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (moderate)	=	0.0	n.a.	PMID[453031]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (moderate)	=	0.0	%	PMID[453031]
NPT2	Others	Unspecified		Hepatotoxicity (acute)	=	5.0	n.a.	PMID[453031]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (acute)	=	0.0	%	PMID[453031]
NPT2	Others	Unspecified		Hepatotoxicity (cytolytic)	=	5.0	n.a.	PMID[453031]
NPT2	Others	Unspecified		Hepatotoxicity (choleostasis)	=	1.0	n.a.	PMID[453031]
NPT2	Others	Unspecified		Hepatotoxicity (severe hepatitis)	=	5.0	n.a.	PMID[453031]
NPT2	Others	Unspecified		Hepatotoxicity (chronic liver disease)	=	0.0	n.a.	PMID[453031]
NPT2	Others	Unspecified		Hepatotoxicity (cirrhosis)	=	0.0	n.a.	PMID[453031]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (granulomatous hepatitis)	=	0.0	n.a.	PMID[453031]
NPT2	Others	Unspecified		Hepatotoxicity (association with vascular disease)	=	0.0	n.a.	PMID[453031]
NPT2	Others	Unspecified		Hepatotoxicity (steatosis)	=	1.0	n.a.	PMID[453031]
NPT2	Others	Unspecified		Hepatotoxicity (malignant tumour)	=	0.0	n.a.	PMID[453031]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Hepatotoxicity (benign tumour)	=	0.0	n.a.	PMID[453031]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Potency	n.a.	0.7	nM	PMID[453032]
NPT2	Others	Unspecified		FC	=	1.0	n.a.	PMID[453033]
NPT2	Others	Unspecified		Ki	=	433510878.39	nM	PMID[453033]
NPT2	Others	Unspecified		Ki	=	399944749.76	nM	PMID[453033]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	28000.0	nM	PMID[453034]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[453034]
NPT949	Individual Protein	Carbonic anhydrase XII	Homo sapiens	Ki	=	37.0	nM	PMID[453034]
NPT35	Others	n.a.		LogP	=	-1.69	n.a.	PMID[453035]
NPT35	Others	n.a.		LogP	=	-0.83	n.a.	PMID[453035]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	300.0	nM	PMID[453036]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453037]
NPT2	Others	Unspecified		Ki	=	946.0	nM	PMID[453037]
NPT2	Others	Unspecified		Ki	=	277.0	nM	PMID[453037]
NPT2	Others	Unspecified		Ki	=	1845.0	nM	PMID[453037]
NPT1118	Organism	Streptococcus pneumoniae	Streptococcus pneumoniae	IZ	=	15.8	mm	PMID[453038]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	IZ	=	14.2	mm	PMID[453038]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	16.8	mm	PMID[453038]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	15.8	mm	PMID[453038]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	IZ	=	14.2	mm	PMID[453038]
NPT1118	Organism	Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	=	25000000.0	nM	PMID[453038]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	100000000.0	nM	PMID[453038]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	12500000.0	nM	PMID[453038]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	25000000.0	nM	PMID[453038]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	100000000.0	nM	PMID[453038]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453039]
NPT2	Others	Unspecified		Ki	=	1845.0	nM	PMID[453039]
NPT2	Others	Unspecified		Ki	=	715.0	nM	PMID[453039]
NPT2	Others	Unspecified		Ki	=	893.0	nM	PMID[453039]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453040]
NPT2	Others	Unspecified		Ki	=	5800.0	nM	PMID[453040]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453041]
NPT2	Others	Unspecified		Ki	=	250.0	nM	PMID[453041]
NPT2	Others	Unspecified		Ki	=	893.0	nM	PMID[453041]
NPT2	Others	Unspecified		Ki	=	488.0	nM	PMID[453041]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453042]
NPT2	Others	Unspecified		Ki	=	1975.0	nM	PMID[453043]
NPT2	Others	Unspecified		Ac50	n.a.	1.0	uM	PMID[453044]
NPT2	Others	Unspecified		AC50	n.a.	1000.0	nM	PMID[453044]
NPT2	Others	Unspecified		Ac50	n.a.	0.631	uM	PMID[453044]
NPT2	Others	Unspecified		AC50	n.a.	631.0	nM	PMID[453044]
NPT2	Others	Unspecified		Ki	=	250.0	nM	PMID[453045]
NPT2	Others	Unspecified		Ki	=	9210.0	nM	PMID[453045]
NPT2	Others	Unspecified		Ki	=	488.0	nM	PMID[453045]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	42870.0	nM	PMID[453046]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453047]
NPT2	Others	Unspecified		Ki	=	471.0	nM	PMID[453048]
NPT2	Others	Unspecified		Ki	=	447.0	nM	PMID[453048]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453048]
NPT2	Others	Unspecified		Ki	=	893.0	nM	PMID[453049]
NPT2	Others	Unspecified		Ki	=	488.0	nM	PMID[453049]
NPT2	Others	Unspecified		Ki	=	9210.0	nM	PMID[453049]
NPT2	Others	Unspecified		Ki	=	867.0	nM	PMID[453049]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453050]
NPT2	Others	Unspecified		Ki	=	447.0	nM	PMID[453050]
NPT2	Others	Unspecified		Ki	=	583.0	nM	PMID[453050]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453051]
NPT2	Others	Unspecified		Ki	=	471.0	nM	PMID[453051]
NPT2	Others	Unspecified		Ki	=	447.0	nM	PMID[453051]
NPT2	Others	Unspecified		Ki	=	95.3	nM	PMID[453051]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	48.83	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	42300.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	351.5	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	90.0	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	153.3	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	23000000.0	nM	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	103.5	mEq.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	705.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	651.83	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	2.2	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1806.7	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	165.0	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	9.33	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	120.3	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.17	mEq.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	142.62	mEq.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	2.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	57300.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	17.7	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BASO	=	0.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	92.33	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	12247.5	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	389.67	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1320.5	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BASOLE	=	0.0	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.67	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5450000.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	34.85	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	129700.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	14050.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	87.33	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	23.78	pg	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	372200.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	63.93	fL	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	2.67	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	9.33	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBCNUC	=	0.0	/100WBC	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1174000.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	42700.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	295.17	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	75.83	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	155.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	30500000.0	nM	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	102.33	mEq.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	761.7	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	205.5	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	2.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1496.7	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	124.5	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	10.0	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	109.3	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.59	mEq.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	143.1	mEq.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	60500.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	14.5	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	0.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	12736.67	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	253.5	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1193.17	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.0	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5720000.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	36.05	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	136200.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	14180.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	89.33	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	23.83	pg	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	378000.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	63.05	fL	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	1.83	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	8.83	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1322170.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	53.0	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	41300.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	316.0	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	87.0	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	163.3	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	25330000.0	nM	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	103.0	mEq.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	703.3	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	269.0	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	2.4	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1506.7	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	408.33	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	130.3	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.94	mEq.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	144.53	mEq.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	2.7	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	57000.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	17.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	13215.67	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	191.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	760.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5710000.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	36.53	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	135000.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	14170.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	93.33	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	23.67	pg	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	369700.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	64.03	fL	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	1.33	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	5.33	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1225330.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	52.0	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	40300.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	315.0	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	72.0	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	156.7	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	26330000.0	nM	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	105.33	mEq.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	723.3	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	187.0	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	2.7	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1563.3	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	102.33	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	11.0	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	120.7	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	7.26	mEq.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	145.23	mEq.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	2.3	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	59000.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	18.7	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	12536.33	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	42.67	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1021.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5850000.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	36.4	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	136000.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	13600.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	92.67	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	23.33	pg	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	374000.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	62.37	fL	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	0.33	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	7.0	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBCNUC	=	0.33	/100WBC	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1318000.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	71.0	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	39700.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	324.67	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	90.33	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	186.7	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	25000000.0	nM	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	1013.3	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	400.67	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	1.6	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1816.7	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	100.67	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	123.7	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	5.81	mEq.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	145.13	mEq.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	56700.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	24.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	116.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	13223.33	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	374.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	2086.67	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5740000.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	35.33	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	129000.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	15800.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	83.67	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	22.47	pg	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	365000.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	61.53	fL	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	2.33	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	13.33	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1297330.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	66.0	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	38000.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	250.67	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	77.0	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	216.7	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	26670000.0	nM	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	813.3	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	230.33	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1653.3	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	107.33	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	9.0	U.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	125.3	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	7.05	mEq.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	144.3	mEq.L-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	56300.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	19.3	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	129.33	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	15741.33	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	353.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1809.67	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	34.17	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	126000.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	18030.0	cells.uL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	86.33	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	23.13	pg	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	368700.0	ug.mL-1	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	62.7	fL	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	2.0	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	11.0	%	PMID[453053]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1550000.0	cells.uL-1	PMID[453053]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453054]
NPT2	Others	Unspecified		Ki	=	95.3	nM	PMID[453054]
NPT2	Others	Unspecified		Ki	=	1720.0	nM	PMID[453054]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	IC50	=	12000.0	nM	PMID[453055]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453056]
NPT2	Others	Unspecified		Ki	=	3895.0	nM	PMID[453056]
NPT2	Others	Unspecified		Ki	=	6076.0	nM	PMID[453056]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453057]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	=	294.0	nM	PMID[453057]
NPT949	Individual Protein	Carbonic anhydrase XII	Homo sapiens	Ki	=	37.0	nM	PMID[453057]
NPT2	Others	Unspecified		Ratio Ki	=	85.01	n.a.	PMID[453057]
NPT2	Others	Unspecified		Ratio Ki	=	1.22	n.a.	PMID[453057]
NPT2	Others	Unspecified		Ratio Ki	=	675.66	n.a.	PMID[453057]
NPT2	Others	Unspecified		Ratio Ki	=	6.48	n.a.	PMID[453057]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC99	>	10.0	uM	PMID[453058]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	GI	=	0.0	%	PMID[453058]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition index	=	0.1687	n.a.	PMID[453059]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	53.84	%	PMID[453060]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	>	1000.0	nM	PMID[453061]
NPT948	Individual Protein	Carbonic anhydrase IX	Homo sapiens	Ki	>	1000.0	nM	PMID[453061]
NPT949	Individual Protein	Carbonic anhydrase XII	Homo sapiens	Ki	>	1000.0	nM	PMID[453061]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Inhibition	=	10.0	%	PMID[453062]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	10.0	%	PMID[453062]
NPT27	Others	Unspecified		LD50	=	3500.0	mg.kg-1	PMID[453062]
NPT21075	SINGLE PROTEIN	Cholesterol 24-hydroxylase	Homo sapiens	Activity	=	75.0	%	PMID[453064]
NPT947	Individual Protein	Carbonic anhydrase I	Homo sapiens	Ki	=	25000.0	nM	PMID[453065]
NPT2	Others	Unspecified		Ki	=	808.0	nM	PMID[453065]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	14.84	%	PMID[453066]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	16.04	%	PMID[453067]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	0.73	%	PMID[453068]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	0.04	%	PMID[453069]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	20000.0	nM	PMID[453070]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	19952.62	nM	PMID[453070]
NPT22619	SINGLE PROTEIN	Protein argonaute-2	Homo sapiens	Ka	=	5.9	10^4/M	PMID[453071]
NPT22619	SINGLE PROTEIN	Protein argonaute-2	Homo sapiens	Kd	=	17000.0	nM	PMID[453071]
NPT22619	SINGLE PROTEIN	Protein argonaute-2	Homo sapiens	deltaH	=	-1.7	kcal/mol	PMID[453071]
NPT22619	SINGLE PROTEIN	Protein argonaute-2	Homo sapiens	deltaS	=	15.7	cal/mol.K	PMID[453071]
NPT2	Others	Unspecified		Ki	=	68.0	nM	PMID[453072]
NPT2	Others	Unspecified		Potency	n.a.	691.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	24460.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	68938.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	13332.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	11883.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	55223.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	33491.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	21875.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	61441.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	9737.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	68589.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	5522.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	61130.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	12259.2	nM	PubChem BioAssay data set

☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.

Chemically structural similarity: I. Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC315403 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	2979
0.1-0.2	15446
0.2-0.3	17675
0.3-0.4	5615
0.4-0.5	838
0.5-0.6	112
0.6-0.7	23
0.7-0.8	6
0.8-0.85	0
0.85-0.9	0
0.9-0.95	2
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9294	High Similarity	NPC43655
0.908	High Similarity	NPC107135
0.7882	Intermediate Similarity	NPC301874
0.7831	Intermediate Similarity	NPC271732
0.7386	Intermediate Similarity	NPC35599
0.7368	Intermediate Similarity	NPC297532
0.7356	Intermediate Similarity	NPC66775
0.7273	Intermediate Similarity	NPC218710
0.7021	Intermediate Similarity	NPC134825
0.6907	Remote Similarity	NPC262295
0.6875	Remote Similarity	NPC229477
0.6869	Remote Similarity	NPC92689
0.6809	Remote Similarity	NPC307456
0.6768	Remote Similarity	NPC173991
0.6729	Remote Similarity	NPC328877
0.67	Remote Similarity	NPC191444
0.6667	Remote Similarity	NPC111233
0.6667	Remote Similarity	NPC30445
0.6667	Remote Similarity	NPC15839
0.6639	Remote Similarity	NPC321053
0.66	Remote Similarity	NPC176858
0.6452	Remote Similarity	NPC302129
0.6436	Remote Similarity	NPC240134
0.6408	Remote Similarity	NPC108800
0.6346	Remote Similarity	NPC476483
0.624	Remote Similarity	NPC328590
0.6216	Remote Similarity	NPC313362
0.6214	Remote Similarity	NPC78154
0.6182	Remote Similarity	NPC474430
0.6111	Remote Similarity	NPC317642
0.6075	Remote Similarity	NPC317400
0.6055	Remote Similarity	NPC316435
0.6	Remote Similarity	NPC70201
0.5965	Remote Similarity	NPC37584
0.5926	Remote Similarity	NPC473429
0.5914	Remote Similarity	NPC219246
0.5909	Remote Similarity	NPC75496
0.5893	Remote Similarity	NPC311660
0.5876	Remote Similarity	NPC325662
0.5876	Remote Similarity	NPC98269
0.5868	Remote Similarity	NPC31651
0.5856	Remote Similarity	NPC326792
0.5841	Remote Similarity	NPC256838
0.5841	Remote Similarity	NPC38262
0.5826	Remote Similarity	NPC172170
0.5776	Remote Similarity	NPC302790
0.5766	Remote Similarity	NPC323726
0.5747	Remote Similarity	NPC469807
0.5739	Remote Similarity	NPC24060
0.569	Remote Similarity	NPC434
0.569	Remote Similarity	NPC79618
0.5686	Remote Similarity	NPC119677
0.5678	Remote Similarity	NPC226914
0.5664	Remote Similarity	NPC291610
0.5652	Remote Similarity	NPC313810
0.562	Remote Similarity	NPC205652
0.562	Remote Similarity	NPC470550

Chemically structural similarity: II. Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC315403 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	496
0.1-0.2	1459
0.2-0.3	1999
0.3-0.4	3690
0.4-0.5	1175
0.5-0.6	276
0.6-0.7	37
0.7-0.8	11
0.8-0.85	1
0.85-0.9	2
0.9-0.95	3
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD9108	Approved
0.9432	High Similarity	NPD9188	Approved
0.9222	High Similarity	NPD9352	Approved
0.9121	High Similarity	NPD9304	Approved
0.9022	High Similarity	NPD9353	Approved
0.8804	High Similarity	NPD716	Approved
0.8384	Intermediate Similarity	NPD1824	Discontinued
0.81	Intermediate Similarity	NPD261	Approved
0.802	Intermediate Similarity	NPD278	Approved
0.757	Intermediate Similarity	NPD1311	Approved
0.7477	Intermediate Similarity	NPD759	Approved
0.7477	Intermediate Similarity	NPD492	Approved
0.7431	Intermediate Similarity	NPD202	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD9184	Approved
0.7368	Intermediate Similarity	NPD9186	Approved
0.7364	Intermediate Similarity	NPD1312	Approved
0.7364	Intermediate Similarity	NPD1596	Approved
0.7345	Intermediate Similarity	NPD9543	Approved
0.7217	Intermediate Similarity	NPD964	Approved
0.7105	Intermediate Similarity	NPD2338	Clinical (unspecified phase)
0.708	Intermediate Similarity	NPD9476	Approved
0.6887	Remote Similarity	NPD2795	Clinical (unspecified phase)
0.6752	Remote Similarity	NPD9252	Approved
0.675	Remote Similarity	NPD9499	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD916	Discontinued
0.6724	Remote Similarity	NPD9246	Approved
0.6667	Remote Similarity	NPD1041	Discontinued
0.6639	Remote Similarity	NPD9282	Approved
0.6602	Remote Similarity	NPD665	Phase 2
0.6552	Remote Similarity	NPD3005	Phase 3
0.6545	Remote Similarity	NPD445	Discontinued
0.6505	Remote Similarity	NPD462	Approved
0.6505	Remote Similarity	NPD463	Approved
0.6505	Remote Similarity	NPD464	Approved
0.648	Remote Similarity	NPD9485	Approved
0.6475	Remote Similarity	NPD572	Clinical (unspecified phase)
0.6393	Remote Similarity	NPD3585	Approved
0.6393	Remote Similarity	NPD3584	Approved
0.6385	Remote Similarity	NPD177	Approved
0.6346	Remote Similarity	NPD1394	Approved
0.6336	Remote Similarity	NPD1590	Approved
0.6336	Remote Similarity	NPD758	Approved
0.629	Remote Similarity	NPD1160	Phase 2
0.6281	Remote Similarity	NPD2131	Approved
0.6241	Remote Similarity	NPD461	Approved
0.6231	Remote Similarity	NPD9483	Approved
0.6231	Remote Similarity	NPD559	Approved
0.6194	Remote Similarity	NPD1583	Approved
0.619	Remote Similarity	NPD5268	Approved
0.619	Remote Similarity	NPD837	Approved
0.6183	Remote Similarity	NPD9547	Approved
0.614	Remote Similarity	NPD2522	Approved
0.614	Remote Similarity	NPD2520	Approved
0.6103	Remote Similarity	NPD9725	Approved
0.609	Remote Similarity	NPD1938	Clinical (unspecified phase)
0.6075	Remote Similarity	NPD838	Approved
0.6058	Remote Similarity	NPD6378	Approved
0.6048	Remote Similarity	NPD1158	Phase 2
0.6045	Remote Similarity	NPD1072	Approved
0.6034	Remote Similarity	NPD2518	Approved
0.6034	Remote Similarity	NPD3010	Approved
0.6034	Remote Similarity	NPD2519	Approved
0.6034	Remote Similarity	NPD3566	Approved
0.6034	Remote Similarity	NPD3009	Approved
0.6034	Remote Similarity	NPD3036	Approved
0.6034	Remote Similarity	NPD3565	Approved
0.6034	Remote Similarity	NPD2521	Approved
0.6017	Remote Similarity	NPD4674	Clinical (unspecified phase)
0.6016	Remote Similarity	NPD5782	Phase 3
0.6	Remote Similarity	NPD9587	Clinical (unspecified phase)
0.5971	Remote Similarity	NPD1301	Approved
0.5971	Remote Similarity	NPD426	Approved
0.5971	Remote Similarity	NPD427	Approved
0.5971	Remote Similarity	NPD162	Approved
0.5971	Remote Similarity	NPD428	Approved
0.5963	Remote Similarity	NPD9270	Clinical (unspecified phase)
0.5956	Remote Similarity	NPD503	Approved
0.5932	Remote Similarity	NPD2587	Approved
0.5929	Remote Similarity	NPD233	Clinical (unspecified phase)
0.5926	Remote Similarity	NPD234	Approved
0.5887	Remote Similarity	NPD1636	Approved
0.5887	Remote Similarity	NPD493	Approved
0.5887	Remote Similarity	NPD6391	Approved
0.5882	Remote Similarity	NPD4085	Approved
0.5877	Remote Similarity	NPD993	Approved
0.5877	Remote Similarity	NPD990	Approved
0.5873	Remote Similarity	NPD4608	Approved
0.5873	Remote Similarity	NPD4609	Approved
0.5872	Remote Similarity	NPD9070	Clinical (unspecified phase)
0.5868	Remote Similarity	NPD1055	Approved
0.5868	Remote Similarity	NPD1057	Approved
0.5862	Remote Similarity	NPD1108	Approved
0.5862	Remote Similarity	NPD1107	Approved
0.5859	Remote Similarity	NPD5442	Approved
0.5856	Remote Similarity	NPD190	Phase 1
0.5856	Remote Similarity	NPD479	Approved
0.5846	Remote Similarity	NPD6820	Approved
0.5846	Remote Similarity	NPD6822	Approved
0.5845	Remote Similarity	NPD6392	Approved
0.5845	Remote Similarity	NPD491	Approved
0.5845	Remote Similarity	NPD511	Approved
0.5845	Remote Similarity	NPD512	Approved
0.5833	Remote Similarity	NPD2924	Approved
0.5833	Remote Similarity	NPD2925	Approved
0.5826	Remote Similarity	NPD458	Approved
0.5804	Remote Similarity	NPD7822	Phase 1
0.5804	Remote Similarity	NPD7969	Clinical (unspecified phase)
0.5789	Remote Similarity	NPD563	Approved
0.5789	Remote Similarity	NPD564	Approved
0.5789	Remote Similarity	NPD1406	Approved
0.5789	Remote Similarity	NPD2032	Discontinued
0.5786	Remote Similarity	NPD4644	Clinical (unspecified phase)
0.5785	Remote Similarity	NPD3484	Approved
0.5785	Remote Similarity	NPD3483	Approved
0.5772	Remote Similarity	NPD764	Phase 3
0.5772	Remote Similarity	NPD1056	Approved
0.5769	Remote Similarity	NPD3720	Discontinued
0.5769	Remote Similarity	NPD4274	Approved
0.5769	Remote Similarity	NPD4275	Approved
0.5766	Remote Similarity	NPD4737	Phase 2
0.5735	Remote Similarity	NPD5518	Clinical (unspecified phase)
0.5726	Remote Similarity	NPD1539	Approved
0.5725	Remote Similarity	NPD864	Approved
0.5725	Remote Similarity	NPD865	Approved
0.5724	Remote Similarity	NPD6886	Approved
0.5724	Remote Similarity	NPD6885	Approved
0.5714	Remote Similarity	NPD6821	Approved
0.5702	Remote Similarity	NPD224	Phase 2
0.5691	Remote Similarity	NPD3954	Approved
0.569	Remote Similarity	NPD1112	Phase 3
0.569	Remote Similarity	NPD1111	Phase 3
0.5684	Remote Similarity	NPD294	Approved
0.5684	Remote Similarity	NPD292	Approved
0.568	Remote Similarity	NPD3582	Approved
0.568	Remote Similarity	NPD5770	Phase 3
0.5664	Remote Similarity	NPD708	Approved
0.5664	Remote Similarity	NPD1854	Approved
0.5664	Remote Similarity	NPD9475	Clinical (unspecified phase)
0.5656	Remote Similarity	NPD4660	Discontinued
0.5652	Remote Similarity	NPD156	Phase 3
0.5649	Remote Similarity	NPD486	Clinical (unspecified phase)
0.5635	Remote Similarity	NPD2439	Approved
0.5631	Remote Similarity	NPD9395	Approved
0.563	Remote Similarity	NPD2999	Approved
0.563	Remote Similarity	NPD526	Approved
0.563	Remote Similarity	NPD3001	Approved
0.563	Remote Similarity	NPD2038	Approved
0.563	Remote Similarity	NPD2039	Approved
0.5625	Remote Similarity	NPD784	Discontinued
0.5625	Remote Similarity	NPD3754	Discontinued
0.5615	Remote Similarity	NPD3008	Approved
0.5615	Remote Similarity	NPD3012	Approved
0.5615	Remote Similarity	NPD3011	Approved
0.561	Remote Similarity	NPD299	Phase 3
0.5608	Remote Similarity	NPD513	Approved
0.56	Remote Similarity	NPD3956	Phase 3
0.56	Remote Similarity	NPD3955	Approved
0.56	Remote Similarity	NPD3957	Phase 2

Bioactivity similarity: Similar Natural Products in NPASS

Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.

Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity

B: biological targets similarity

C: networks similarity

D: cell-based bioactivity similarity

E: similarity based on clinical data