NPASS Compound

Structure

NPC478418 OpenBabel06302215242D 31 35 0 0 1 0 0 0 0 0999 V2000 -3.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -2.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2079 2.9781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 3.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6092 2.1691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 14 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 11 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 20 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 22 23 1 0 0 0 0 23 31 2 0 0 0 0 23 24 1 0 0 0 0 24 28 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	415.16
Volume:	406.483
LogP:	1.615
LogD:	2.157
LogS:	-3.618
# Rotatable Bonds:	4
TPSA:	104.61
# H-Bond Aceptor:	8
# H-Bond Donor:	2
# Rings:	5
# Heavy Atoms:	9

MedChem Properties

QED Drug-Likeness Score:	0.47
Synthetic Accessibility Score:	3.636
Fsp3:	0.136
Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Accepted
GSK Rule:	Rejected
BMS Rule:	0
Golden Triangle Rule:	Accepted
Chelating Alert:	0
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-5.023
MDCK Permeability:	7.745110451651271e-06
Pgp-inhibitor:	0.005
Pgp-substrate:	0.993
Human Intestinal Absorption (HIA):	0.011
20% Bioavailability (F20%):	0.002
30% Bioavailability (F30%):	0.01

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.48
Plasma Protein Binding (PPB):	81.86493682861328%
Volume Distribution (VD):	1.003
Pgp-substrate:	20.670475006103516%

ADMET: Metabolism

CYP1A2-inhibitor:	0.754
CYP1A2-substrate:	0.644
CYP2C19-inhibitor:	0.716
CYP2C19-substrate:	0.066
CYP2C9-inhibitor:	0.699
CYP2C9-substrate:	0.755
CYP2D6-inhibitor:	0.816
CYP2D6-substrate:	0.021
CYP3A4-inhibitor:	0.855
CYP3A4-substrate:	0.913

ADMET: Excretion

Clearance (CL):	7.626
Half-life (T1/2):	0.62

ADMET: Toxicity

hERG Blockers:	0.378
Human Hepatotoxicity (H-HT):	0.97
Drug-inuced Liver Injury (DILI):	0.976
AMES Toxicity:	0.751
Rat Oral Acute Toxicity:	0.971
Maximum Recommended Daily Dose:	0.927
Skin Sensitization:	0.333
Carcinogencity:	0.014
Eye Corrosion:	0.003
Eye Irritation:	0.021
Respiratory Toxicity:	0.941

Download Data

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

Natural Product: NPC478418

Natural Product ID:	NPC478418
*Common Name:**	IFSDAJWBUCMOAH-HNNXBMFYSA-N
IUPAC Name:	n.a.
Synonyms:
Standard InCHIKey:	IFSDAJWBUCMOAH-HNNXBMFYSA-N
Standard InCHI:	InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
SMILES:	CC[C@@H](c1nc2cccc(c2c(=O)n1c1ccccc1)F)Nc1c2c([nH]cn2)ncn1
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	n.a.
PubChem CID:	11625818
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000002] Organoheterocyclic compounds [CHEMONTID:0001797] Imidazopyrimidines [CHEMONTID:0000245] Purines and purine derivatives [CHEMONTID:0002987] 6-aminopurines [CHEMONTID:0003454] 6-alkylaminopurines

*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
NPO6250	Laurencia tristicha	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15974618]
NPO27465	Sinularia erecta	Species	Alcyoniidae	Eukaryota	n.a.	n.a.	n.a.	PMID[27142697]
NPO7428	Bletilla formosana	Species	Orchidaceae	Eukaryota	Rhizomes	n.a.	n.a.	PMID[27525452]
NPO6250	Laurencia tristicha	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27536968]
NPO7428	Bletilla formosana	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO7428	Bletilla formosana	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO27465	Sinularia erecta	Species	Alcyoniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7428	Bletilla formosana	Species	Orchidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6250	Laurencia tristicha	Species	Rhodomelaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]

☑ 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
GI50	28
IC50	180
Kd	298
Others	64

Activity Type	# Activity
Cell Line	46
CELL-LINE	30
Individual Protein	323
NON-MOLECULAR	11
Organism	11
Others	43
PROTEIN COMPLEX	38
SINGLE PROTEIN	84

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	6.1	nM	PMID[22924688]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	9.0	nM	PMID[22924688]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	89.0	nM	PMID[23410005]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	2.5	nM	PMID[23410005]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	562.0	nM	PMID[23410005]
NPT1444	Individual Protein	PI3-kinase p110-alpha subunit	Homo sapiens	IC50	=	820.0	nM	PMID[23410005]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	2.5	nM	DOI[10.1039/C2MD20044A]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	89.0	nM	DOI[10.1039/C2MD20044A]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	565.0	nM	DOI[10.1039/C2MD20044A]
NPT1444	Individual Protein	PI3-kinase p110-alpha subunit	Homo sapiens	IC50	=	820.0	nM	DOI[10.1039/C2MD20044A]
NPT3392	Individual Protein	Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing beta polypeptide	Homo sapiens	IC50	>	1000.0	nM	PMID[25589915]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	25.0	nM	PMID[25589915]
NPT2556	Individual Protein	DNA-dependent protein kinase	Homo sapiens	IC50	=	6700.0	nM	PMID[25589915]
NPT1444	Individual Protein	PI3-kinase p110-alpha subunit	Homo sapiens	IC50	=	9700.0	nM	PMID[25666823]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	2.7	nM	PMID[25666823]
NPT543	Individual Protein	Pregnane X receptor	Homo sapiens	Activity	=	3.7	%	PMID[25666823]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	24.0	nM	PMID[25666823]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	580.0	nM	PMID[25666823]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	1400.0	nM	PMID[25666823]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	92.0	nM	DOI[10.1039/C5MD00364D]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	330.0	nM	DOI[10.1039/C5MD00364D]
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	920.0	nM	DOI[10.1039/C5MD00364D]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	780.0	nM	DOI[10.1039/C5MD00364D]
NPT165	Cell Line	HeLa	Homo sapiens	IC50	=	150.0	nM	DOI[10.1039/C5MD00364D]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	3.0	nM	DOI[10.1039/C5MD00364D]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	64.0	nM	PMID[27774127]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	2.0	nM	PMID[27774127]
NPT3392	Individual Protein	Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing beta polypeptide	Homo sapiens	IC50	>	1000.0	nM	PMID[27644332]
NPT2556	Individual Protein	DNA-dependent protein kinase	Homo sapiens	IC50	=	6700.0	nM	PMID[27644332]
NPT3228	Individual Protein	Adaptor-associated kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT2729	Individual Protein	Tyrosine-protein kinase ABL	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3214	Individual Protein	Tyrosine-protein kinase ABL2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT6548	Individual Protein	Actin-related protein 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3287	Individual Protein	Activin receptor type-1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3293	Individual Protein	Activin receptor type-1B	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3295	Individual Protein	Activin receptor type-2B	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3305	Individual Protein	Chaperone activity of bc1 complex-like, mitochondrial	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT2603	Individual Protein	Adenosine kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT4031	Individual Protein	G-protein coupled receptor kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1430	Individual Protein	Serine/threonine-protein kinase AKT2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT2546	Individual Protein	Serine/threonine-protein kinase AKT3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT4884	Individual Protein	Serine-protein kinase ATR	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1432	Individual Protein	Serine/threonine-protein kinase Aurora-A	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1433	Individual Protein	Serine/threonine-protein kinase Aurora-B	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3210	Individual Protein	BMP-2-inducible protein kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3313	Individual Protein	Bone morphogenetic protein receptor type-1A	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3385	Individual Protein	Bone morphogenetic protein receptor type-1B	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3314	Individual Protein	Bone morphogenetic protein receptor type-2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1434	Individual Protein	Serine/threonine-protein kinase B-raf	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1675	Individual Protein	CaM kinase II delta	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1676	Individual Protein	CaM kinase II gamma	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1677	Individual Protein	CaM kinase IV	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1678	Individual Protein	CaM-kinase kinase beta	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3329	Individual Protein	Serine/threonine-protein kinase MRCK-A	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3330	Individual Protein	Serine/threonine-protein kinase MRCK beta	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3306	Individual Protein	Serine/threonine-protein kinase MRCK gamma	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1423	Individual Protein	Cyclin-dependent kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3401	Individual Protein	Cyclin-dependent kinase 13	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1698	Individual Protein	Serine/threonine-protein kinase PCTAIRE-1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3250	Individual Protein	Serine/threonine-protein kinase PCTAIRE-2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1371	Individual Protein	Cyclin-dependent kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3345	Individual Protein	Cyclin-dependent kinase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT2213	Individual Protein	Cyclin-dependent kinase 4	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3240	Individual Protein	Cyclin-dependent kinase 5	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1571	Individual Protein	Cyclin-dependent kinase 6	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3346	Individual Protein	Cyclin-dependent kinase 7	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3347	Individual Protein	Cyclin-dependent kinase 9	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3397	Individual Protein	Cyclin-dependent kinase-like 5	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1608	Individual Protein	Serine/threonine-protein kinase Chk1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3334	Individual Protein	Citron Rho-interacting kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1681	Individual Protein	Dual specificty protein kinase CLK1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1682	Individual Protein	Dual specificity protein kinase CLK2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3231	Individual Protein	Dual specificity protein kinase CLK4	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3113	Individual Protein	Tyrosine-protein kinase CSK	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3168	Individual Protein	Casein kinase I alpha	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3266	Individual Protein	Casein kinase I delta	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3226	Individual Protein	Casein kinase I epsilon	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1684	Individual Protein	Casein kinase I gamma 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1685	Individual Protein	Casein kinase I gamma 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1686	Individual Protein	Casein kinase I isoform gamma-3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3273	Individual Protein	Casein kinase II alpha (prime)	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3560	Individual Protein	Deoxycytidine kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT5825	Individual Protein	dCTP pyrophosphatase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3342	Individual Protein	Epithelial discoidin domain-containing receptor 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3303	Individual Protein	Discoidin domain-containing receptor 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3114	Individual Protein	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3274	Individual Protein	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT285	Individual Protein	Epidermal growth factor receptor erbB1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3420	Individual Protein	Eukaryotic translation initiation factor 2-alpha kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3354	Individual Protein	Ephrin type-A receptor 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3225	Individual Protein	Ephrin type-A receptor 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3218	Individual Protein	Ephrin type-A receptor 4	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3219	Individual Protein	Ephrin type-A receptor 5	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3211	Individual Protein	Ephrin type-A receptor 7	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT2941	Individual Protein	Ephrin type-B receptor 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3359	Individual Protein	Ephrin type-B receptor 3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT2572	Individual Protein	Ephrin type-B receptor 4	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3404	Individual Protein	Ephrin type-B receptor 6	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1890	Individual Protein	Serine/threonine-protein kinase/endoribonuclease IRE1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3244	Individual Protein	Tyrosine-protein kinase FER	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1437	Individual Protein	Tyrosine-protein kinase FES	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1480	Individual Protein	Fibroblast growth factor receptor 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3112	Individual Protein	Tyrosine-protein kinase FGR	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1650	Individual Protein	Tyrosine-protein kinase receptor FLT3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3204	Individual Protein	Tyrosine-protein kinase FRK	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT14	Individual Protein	Tyrosine-protein kinase FYN	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3221	Individual Protein	Serine/threonine-protein kinase GAK	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT4088	Individual Protein	G protein-coupled receptor kinase 6	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT591	Individual Protein	Glycogen synthase kinase-3 beta	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3205	Individual Protein	Tyrosine-protein kinase HCK	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3423	Individual Protein	Serine/threonine-protein kinase ICK	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1438	Individual Protein	Insulin-like growth factor I receptor	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3275	Individual Protein	Inhibitor of nuclear factor kappa B kinase epsilon subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT2817	Individual Protein	Inosine-5'-monophosphate dehydrogenase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT2574	Individual Protein	Insulin receptor	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3386	Individual Protein	Interleukin-1 receptor-associated kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3288	Individual Protein	Interleukin-1 receptor-associated kinase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3425	Individual Protein	Interleukin-1 receptor-associated kinase 4	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1689	Individual Protein	Tyrosine-protein kinase JAK1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3307	Individual Protein	Serine/threonine-protein kinase LATS1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT13	Individual Protein	Tyrosine-protein kinase LCK	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3242	Individual Protein	LIM domain kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3278	Individual Protein	LIM domain kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3111	Individual Protein	Tyrosine-protein kinase Lyn	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT491	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1690	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3281	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3319	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3440	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 5	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1691	Individual Protein	Dual specificity mitogen-activated protein kinase kinase 6	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3411	Individual Protein	Mitogen-activated protein kinase kinase kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3328	Individual Protein	Mitogen-activated protein kinase kinase kinase 11	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3413	Individual Protein	Mitogen-activated protein kinase kinase kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3389	Individual Protein	Mitogen-activated protein kinase kinase kinase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3209	Individual Protein	Mitogen-activated protein kinase kinase kinase 4	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1431	Individual Protein	Mitogen-activated protein kinase kinase kinase 5	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3407	Individual Protein	Mitogen-activated protein kinase kinase kinase 6	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3310	Individual Protein	Mitogen-activated protein kinase kinase kinase kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3406	Individual Protein	Mitogen-activated protein kinase kinase kinase kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3311	Individual Protein	Mitogen-activated protein kinase kinase kinase kinase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3316	Individual Protein	Mitogen-activated protein kinase kinase kinase kinase 4	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3109	Individual Protein	Mitogen-activated protein kinase kinase kinase kinase 5	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT282	Individual Protein	MAP kinase ERK2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3207	Individual Protein	c-Jun N-terminal kinase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1616	Individual Protein	MAP kinase p38 beta	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT283	Individual Protein	MAP kinase p38 alpha	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3363	Individual Protein	Mitogen-activated protein kinase 15	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT281	Individual Protein	MAP kinase ERK1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3362	Individual Protein	Mitogen-activated protein kinase 7	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1426	Individual Protein	c-Jun N-terminal kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1427	Individual Protein	c-Jun N-terminal kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1441	Individual Protein	MAP kinase-activated protein kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3461	Individual Protein	MAP kinase-activated protein kinase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1612	Individual Protein	MAP kinase-activated protein kinase 5	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3235	Individual Protein	MAP/microtubule affinity-regulating kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3280	Individual Protein	Serine/threonine-protein kinase c-TAK1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3318	Individual Protein	MAP/microtubule affinity-regulating kinase 4	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3282	Individual Protein	Maternal embryonic leucine zipper kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1337	Individual Protein	Hepatocyte growth factor receptor	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3381	Individual Protein	Misshapen-like kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3390	Individual Protein	Macrophage-stimulating protein receptor	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT2626	Individual Protein	Myosin light chain kinase, smooth muscle	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3446	Individual Protein	Myosin light chain kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3340	Individual Protein	Serine/threonine-protein kinase Nek1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1658	Individual Protein	Serine/threonine-protein kinase NEK2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3391	Individual Protein	Serine/threonine-protein kinase Nek3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3241	Individual Protein	Serine/threonine-protein kinase NEK9	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3285	Individual Protein	Serine/threonine protein kinase NLK	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT366	Individual Protein	Quinone reductase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3239	Individual Protein	Nerve growth factor receptor Trk-A	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3348	Individual Protein	NUAK family SNF1-like kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1442	Individual Protein	Serine/threonine-protein kinase PAK 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1695	Individual Protein	Serine/threonine-protein kinase PAK 4	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1697	Individual Protein	Serine/threonine-protein kinase PAK6	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3454	Individual Protein	PAS domain-containing serine/threonine-protein kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT2575	Individual Protein	Platelet-derived growth factor receptor beta	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3223	Individual Protein	Phosphorylase kinase gamma subunit 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1265	Individual Protein	Serine/threonine-protein kinase PIM1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3433	Individual Protein	Phosphatidylinositol-5-phosphate 4-kinase type-2 gamma	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3249	Individual Protein	Tyrosine- and threonine-specific cdc2-inhibitory kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1656	Individual Protein	Protein kinase N1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3357	Individual Protein	Protein kinase N2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1702	Individual Protein	Serine/threonine-protein kinase PLK4	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3222	Individual Protein	AMP-activated protein kinase, alpha-1 subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1703	Individual Protein	cAMP-dependent protein kinase alpha-catalytic subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3261	Individual Protein	cAMP-dependent protein kinase beta-1 catalytic subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT182	Individual Protein	Protein kinase C alpha	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3394	Individual Protein	Protein kinase C iota	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3365	Individual Protein	Serine/threonine-protein kinase D2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3366	Individual Protein	Protein kinase C nu	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3367	Individual Protein	cGMP-dependent protein kinase 1 beta	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1436	Individual Protein	Focal adhesion kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3263	Individual Protein	Protein tyrosine kinase 2 beta	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3215	Individual Protein	Tyrosine-protein kinase BRK	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT2824	Individual Protein	Brain glycogen phosphorylase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1667	Individual Protein	Liver glycogen phosphorylase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3370	Individual Protein	Tyrosine-protein kinase receptor RET	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1447	Individual Protein	Serine/threonine-protein kinase RIPK2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT592	Individual Protein	Rho-associated protein kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3107	Individual Protein	Rho-associated protein kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3106	Individual Protein	Ribosomal protein S6 kinase alpha 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1705	Individual Protein	Ribosomal protein S6 kinase alpha 3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3374	Individual Protein	Ribosomal protein S6 kinase alpha 4	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1613	Individual Protein	Ribosomal protein S6 kinase alpha 5	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3254	Individual Protein	Ribosomal protein S6 kinase alpha 6	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1611	Individual Protein	Ribosomal protein S6 kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3290	Individual Protein	Serine/threonine-protein kinase SIK2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3378	Individual Protein	Serine/threonine-protein kinase SIK3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1706	Individual Protein	Serine/threonine-protein kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT36	Individual Protein	Tyrosine-protein kinase SRC	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1707	Individual Protein	Serine/threonine-protein kinase 10	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3279	Individual Protein	Serine/threonine-protein kinase 11	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1708	Individual Protein	Serine/threonine-protein kinase 16	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3332	Individual Protein	Serine/threonine-protein kinase 24	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1693	Individual Protein	Serine/threonine-protein kinase MST4	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3331	Individual Protein	Serine/threonine-protein kinase MST2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1710	Individual Protein	Serine/threonine-protein kinase 38	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3233	Individual Protein	Serine/threonine-protein kinase 38-like	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1711	Individual Protein	Serine/threonine-protein kinase MST1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1449	Individual Protein	Tyrosine-protein kinase SYK	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3431	Individual Protein	Serine/threonine-protein kinase TAO1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3426	Individual Protein	Serine/threonine-protein kinase TAO2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3427	Individual Protein	Serine/threonine-protein kinase TAO3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3417	Individual Protein	Serine/threonine-protein kinase TBK1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3351	Individual Protein	Tyrosine-protein kinase TEC	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3352	Individual Protein	Dual specificity testis-specific protein kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3353	Individual Protein	TGF-beta receptor type I	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3355	Individual Protein	TGF-beta receptor type II	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1712	Individual Protein	TRAF2- and NCK-interacting kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3297	Individual Protein	Non-receptor tyrosine-protein kinase TNK1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3245	Individual Protein	Tyrosine kinase non-receptor protein 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1044	Individual Protein	DNA topoisomerase II alpha	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT322	Individual Protein	DNA topoisomerase II beta	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3276	Individual Protein	Tyrosine-protein kinase TYK2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3398	Individual Protein	Serine/threonine-protein kinase ULK1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3382	Individual Protein	Serine/threonine-protein kinase ULK3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3256	Individual Protein	Serine/threonine-protein kinase WEE1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT5472	Individual Protein	Tyrosyl-tRNA synthetase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1663	Individual Protein	Tyrosine-protein kinase YES	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT3258	Individual Protein	Mixed lineage kinase 7	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	2100.0	nM	PMID[28106991]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	2.0	nM	PMID[28541707]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	63.0	nM	PMID[28541707]
NPT1444	Individual Protein	PI3-kinase p110-alpha subunit	Homo sapiens	IC50	=	800.0	nM	PMID[28541707]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	380.0	nM	PMID[28541707]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	2.0	nM	PMID[28209465]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	63.0	nM	PMID[28209465]
NPT1444	Individual Protein	PI3-kinase p110-alpha subunit	Homo sapiens	IC50	=	800.0	nM	PMID[28209465]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	380.0	nM	PMID[28209465]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	4.3	nM	PMID[27846451]
NPT1444	Individual Protein	PI3-kinase p110-alpha subunit	Homo sapiens	IC50	=	1650.0	nM	PMID[27846451]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	669.0	nM	PMID[27846451]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	241.0	nM	PMID[27846451]
NPT2083	Cell Line	KARPAS-422	Homo sapiens	IC50	=	8100.0	nM	PMID[27846451]
NPT2049	Cell Line	HT	Homo sapiens	IC50	>	10000.0	nM	PMID[27846451]
NPT5892	Cell Line	NAMALVA	Homo sapiens	IC50	>	10000.0	nM	PMID[27846451]
NPT2156	Cell Line	SU-DHL-1	Homo sapiens	IC50	>	10000.0	nM	PMID[27846451]
NPT112	Cell Line	MOLT-4	Homo sapiens	IC50	>	10000.0	nM	PMID[27846451]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	2.5	nM	PMID[27846451]
NPT1444	Individual Protein	PI3-kinase p110-alpha subunit	Homo sapiens	IC50	=	820.0	nM	PMID[27846451]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	565.0	nM	PMID[27846451]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	89.0	nM	PMID[27846451]
NPT4651	Cell Line	Ramos	Homo sapiens	IC50	>	10.0	nM	PMID[28325601]
NPT80	Cell Line	Raji	Homo sapiens	IC50	=	9.95	nM	PMID[28325601]
NPT1444	Individual Protein	PI3-kinase p110-alpha subunit	Homo sapiens	IC50	=	391.3	nM	PMID[30053721]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	845.5	nM	PMID[30053721]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	67.0	nM	PMID[30053721]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	5.9	nM	PMID[30053721]
NPT3392	Individual Protein	Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing beta polypeptide	Homo sapiens	IC50	>	10000.0	nM	PMID[30053721]
NPT3393	Individual Protein	PI4-kinase beta subunit	Homo sapiens	IC50	>	10000.0	nM	PMID[30053721]
NPT2093	Cell Line	PF-382	Homo sapiens	GI50	>	10000.0	nM	PMID[30053721]
NPT623	Cell Line	NALM-6	Homo sapiens	GI50	>	10000.0	nM	PMID[30053721]
NPT1649	Cell Line	MV4-11	Homo sapiens	GI50	>	10000.0	nM	PMID[30053721]
NPT6530	Cell Line	MOLM-13	Homo sapiens	GI50	=	1700.0	nM	PMID[30053721]
NPT2083	Cell Line	KARPAS-422	Homo sapiens	GI50	=	680.0	nM	PMID[28835805]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	2.5	nM	PMID[29486969]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	120.1	nM	PMID[29534936]
NPT1444	Individual Protein	PI3-kinase p110-alpha subunit	Homo sapiens	IC50	=	306.4	nM	PMID[29534936]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	Inhibition	=	96.0	%	PMID[29534936]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	2.7	nM	PMID[29534936]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	2.5	nM	PMID[29534936]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	139.4	nM	PMID[29534936]
NPT4651	Cell Line	Ramos	Homo sapiens	IC50	>	10000.0	nM	PMID[29534936]
NPT80	Cell Line	Raji	Homo sapiens	IC50	=	9950.0	nM	PMID[29534936]
NPT389	Cell Line	RPMI-8226	Homo sapiens	IC50	=	5490.0	nM	PMID[29534936]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	1.6	nM	PMID[29601991]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	Inhibition	=	91.91	%	PMID[29601991]
NPT1444	Individual Protein	PI3-kinase p110-alpha subunit	Homo sapiens	IC50	=	737.0	nM	PMID[29601991]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	129.0	nM	PMID[29601991]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	139.0	nM	PMID[29601991]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	250.0	nM	PMID[30237123]
NPT1444	Individual Protein	PI3-kinase p110-alpha subunit	Homo sapiens	IC50	=	583.0	nM	PMID[31176568]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	134.0	nM	PMID[31176568]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	381.0	nM	PMID[31176568]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	3.1	nM	PMID[31176568]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	19.0	nM	PMID[31188592]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	2.0	nM	PMID[30530193]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	63.0	nM	PMID[30530193]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	2.5	nM	PMID[30582813]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	89.0	nM	PMID[30582813]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	104.0	nM	PMID[31033293]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	Inhibition	<	50.0	%	PMID[31033293]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	4.0	nM	PMID[31033293]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	2100.0	nM	PMID[31550151]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	4000.0	nM	PMID[31550151]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	60.0	nM	PMID[30996859]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	281.0	nM	PMID[30996859]
NPT1444	Individual Protein	PI3-kinase p110-alpha subunit	Homo sapiens	IC50	=	822.0	nM	PMID[30996859]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	3.2	nM	PMID[30996859]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	154.0	nM	PMID[30878826]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	63.0	nM	PMID[30878826]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	571.0	nM	PMID[30975623]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	92.0	nM	PMID[30975623]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	831.0	nM	PMID[30975623]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	2.1	nM	PMID[30975623]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	Inhibition	=	96.0	%	PMID[30975623]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	1.2	nM	PMID[31434616]
NPT1444	Individual Protein	PI3-kinase p110-alpha subunit	Homo sapiens	IC50	=	177.2	nM	PMID[31434616]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	139.1	nM	PMID[31434616]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	145.3	nM	PMID[31434616]
NPT4651	Cell Line	Ramos	Homo sapiens	IC50	>	10000.0	nM	PMID[31434616]
NPT80	Cell Line	Raji	Homo sapiens	IC50	>	10000.0	nM	PMID[31434616]
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	>	10000.0	nM	PMID[31434616]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	>	10000.0	nM	PMID[31434616]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	GI50	=	22300.0	nM	PMID[32212730]
NPT379	Cell Line	HOP-62	Homo sapiens	GI50	>	100000.0	nM	PMID[32212730]
NPT372	Cell Line	HOP-92	Homo sapiens	GI50	=	14100.0	nM	PMID[32212730]
NPT391	Cell Line	HCC 2998	Homo sapiens	GI50	=	38500.0	nM	PMID[32212730]
NPT386	Cell Line	KM12	Homo sapiens	GI50	=	1200.0	nM	PMID[32212730]
NPT392	Cell Line	SNB-75	Homo sapiens	GI50	=	1200.0	nM	PMID[32212730]
NPT380	Cell Line	U-251	Homo sapiens	GI50	=	53200.0	nM	PMID[32212730]
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50	=	33500.0	nM	PMID[32212730]
NPT387	Cell Line	M14	Homo sapiens	GI50	=	37800.0	nM	PMID[32212730]
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50	=	4800.0	nM	PMID[32212730]
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50	=	17700.0	nM	PMID[32212730]
NPT376	Cell Line	A498	Homo sapiens	GI50	=	1100.0	nM	PMID[32212730]
NPT308	Cell Line	CAKI-1	Homo sapiens	GI50	=	20500.0	nM	PMID[32212730]
NPT406	Cell Line	RXF 393	Homo sapiens	GI50	=	1400.0	nM	PMID[32212730]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50	=	42300.0	nM	PMID[32212730]
NPT402	Cell Line	Hs-578T	Homo sapiens	GI50	=	6000.0	nM	PMID[32212730]
NPT396	Cell Line	T47D	Homo sapiens	GI50	=	5200.0	nM	PMID[32212730]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	10.0	nM	PMID[31647659]
NPT1444	Individual Protein	PI3-kinase p110-alpha subunit	Homo sapiens	IC50	=	10000.0	nM	PMID[31647659]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	1995.26	nM	PMID[31647659]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	199.53	nM	PMID[31647659]
NPT2740	Cell Line	Neutrophils		IC50	=	70.0	nM	PMID[27142697]
NPT2740	Cell Line	Neutrophils		Inhibition	=	103.0	%	PMID[27142697]
NPT2740	Cell Line	Neutrophils		Inhibition	=	100.0	%	PMID[27142697]
NPT2740	Cell Line	Neutrophils		IC50	=	300.0	nM	PMID[27142697]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	6.0	nM	PMID[33180507]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	4.7	nM	PMID[32784091]
NPT1444	Individual Protein	PI3-kinase p110-alpha subunit	Homo sapiens	IC50	>	500.0	nM	PMID[32784091]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	>	500.0	nM	PMID[32784091]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	245.0	nM	PMID[32784091]
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	>	20000.0	nM	PMID[32784091]
NPT71	Cell Line	HEK293	Homo sapiens	IC50	>	20000.0	nM	PMID[32784091]
NPT1446	Individual Protein	PI3-kinase p110-delta subunit	Homo sapiens	IC50	=	2.5	nM	PMID[32784091]
NPT1444	Individual Protein	PI3-kinase p110-alpha subunit	Homo sapiens	IC50	=	820.0	nM	PMID[32784091]
NPT3376	Individual Protein	PI3-kinase p110-beta subunit	Homo sapiens	IC50	=	565.0	nM	PMID[32784091]
NPT1445	Individual Protein	PI3-kinase p110-gamma subunit	Homo sapiens	IC50	=	89.0	nM	PMID[32784091]
NPT605	Organism	Homo sapiens	Homo sapiens	Activity	=	56.0	%	PMID[22924688]
NPT2	Others	Unspecified		Ratio IC50	=	49.0	n.a.	PMID[22924688]
NPT2	Others	Unspecified		Ratio IC50	=	248.0	n.a.	PMID[22924688]
NPT2	Others	Unspecified		Ratio IC50	=	21.0	n.a.	PMID[22924688]
NPT2	Others	Unspecified		Ratio IC50	=	36.0	n.a.	PMID[23410005]
NPT2	Others	Unspecified		Ratio IC50	=	225.0	n.a.	PMID[23410005]
NPT2	Others	Unspecified		Ratio IC50	=	328.0	n.a.	PMID[23410005]
NPT940	Individual Protein	Serine/threonine-protein kinase mTOR	Homo sapiens	IC50	>	10000.0	nM	DOI[10.1039/C2MD20044A]
NPT2	Others	Unspecified		IC50	>	10000.0	nM	DOI[10.1039/C2MD20044A]
NPT2	Others	Unspecified		IC50	=	978000.0	nM	PMID[25589915]
NPT18754	PROTEIN COMPLEX	Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	Homo sapiens	IC50	=	579.0	nM	DOI[10.1039/C5MD00364D]
NPT6559	Protein Complex	PI3-kinase p110-alpha/p85-alpha	Homo sapiens	IC50	=	825.0	nM	DOI[10.1039/C5MD00364D]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	8400.0	nM	PMID[27774127]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	7900.0	nM	PMID[27774127]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	6300.0	nM	PMID[27774127]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	10600.0	nM	PMID[27774127]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	3600.0	nM	PMID[27774127]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	>	10000.0	nM	PMID[27774127]
NPT18602	PROTEIN COMPLEX	PI3-kinase p110-delta/p85-alpha	Homo sapiens	IC50	=	25.0	nM	PMID[27644332]
NPT24177	SINGLE PROTEIN	Phosphatidylinositol 3-kinase catalytic subunit type 3	Homo sapiens	IC50	=	978000.0	nM	PMID[27644332]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	100.0	nM	PMID[27525452]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	300.0	nM	PMID[27525452]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Inhibition	=	103.0	%	PMID[27536968]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Inhibition	=	100.0	%	PMID[27536968]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ID50	=	1.6	mg.kg-1	PMID[28105286]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	ID50	=	15.0	mg.kg-1	PMID[28105286]
NPT24251	SINGLE PROTEIN	Acyl-CoA dehydrogenase family member 10	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24252	SINGLE PROTEIN	Acyl-CoA dehydrogenase family member 11	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24253	SINGLE PROTEIN	Very long-chain specific acyl-CoA dehydrogenase, mitochondrial	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24254	SINGLE PROTEIN	Peroxisomal acyl-coenzyme A oxidase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24255	SINGLE PROTEIN	Peroxisomal acyl-coenzyme A oxidase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24256	SINGLE PROTEIN	Long-chain-fatty-acid--CoA ligase 5	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24257	SINGLE PROTEIN	Actin-related protein 3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24258	SINGLE PROTEIN	Uncharacterized aarF domain-containing protein kinase 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT25893	SINGLE PROTEIN	Uncharacterized aarF domain-containing protein kinase 5	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24261	SINGLE PROTEIN	Adenylate kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT728	Individual Protein	Serine/threonine-protein kinase AKT	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24262	SINGLE PROTEIN	Adenine phosphoribosyltransferase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24263	SINGLE PROTEIN	Serine/threonine-protein kinase A-Raf	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24264	SINGLE PROTEIN	Breakpoint cluster region protein	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT833	Individual Protein	Tyrosine-protein kinase BTK	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24266	SINGLE PROTEIN	Mitotic checkpoint serine/threonine-protein kinase BUB1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24267	SINGLE PROTEIN	Cysteine--tRNA ligase, cytoplasmic	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24269	SINGLE PROTEIN	Cyclin-dependent kinase 12	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24271	SINGLE PROTEIN	Chromodomain-helicase-DNA-binding protein 4	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT2	Others	Unspecified		Kd	>	30000.0	nM	PMID[29191878]
NPT24273	SINGLE PROTEIN	Cytochrome c1, heme protein, mitochondrial	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24276	SINGLE PROTEIN	ATP-dependent RNA helicase DDX1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24277	SINGLE PROTEIN	ATP-dependent RNA helicase DDX3X	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24278	SINGLE PROTEIN	ATP-dependent RNA helicase DDX42	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24279	SINGLE PROTEIN	Probable ATP-dependent RNA helicase DDX6	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24280	SINGLE PROTEIN	Delta(24)-sterol reductase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT25846	SINGLE PROTEIN	ATP-dependent RNA helicase DHX30	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24281	SINGLE PROTEIN	DnaJ homolog subfamily A member 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT25847	SINGLE PROTEIN	Eukaryotic translation initiation factor 5B	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24284	SINGLE PROTEIN	General transcription and DNA repair factor IIH helicase subunit XPD	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24285	SINGLE PROTEIN	Serine/threonine-protein kinase/endoribonuclease IRE2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24286	SINGLE PROTEIN	Electron transfer flavoprotein subunit beta	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24287	SINGLE PROTEIN	Phenylalanine--tRNA ligase beta subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT22192	SINGLE PROTEIN	Ferrochelatase, mitochondrial	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24288	SINGLE PROTEIN	Glycine--tRNA ligase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT25848	SINGLE PROTEIN	Guanine nucleotide-binding protein G(i) subunit alpha-2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT676	Individual Protein	Glycogen synthase kinase-3 alpha	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24289	SINGLE PROTEIN	Nucleolar GTP-binding protein 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24290	SINGLE PROTEIN	Heme oxygenase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24291	SINGLE PROTEIN	Putative heat shock protein HSP 90-beta 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24294	SINGLE PROTEIN	Serine/threonine-protein kinase ILK-1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24299	SINGLE PROTEIN	S-adenosylmethionine synthase isoform type-2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24300	SINGLE PROTEIN	DNA replication licensing factor MCM4	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24301	SINGLE PROTEIN	Midasin	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24305	SINGLE PROTEIN	RNA cytidine acetyltransferase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24306	SINGLE PROTEIN	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24308	SINGLE PROTEIN	Dynamin-like 120 kDa protein, mitochondrial	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24309	SINGLE PROTEIN	Multifunctional protein ADE2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24311	SINGLE PROTEIN	Pyridoxal kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24312	SINGLE PROTEIN	Phosphatidylethanolamine-binding protein 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24313	SINGLE PROTEIN	Phosphofructokinase platelet type	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT25961	SINGLE PROTEIN	Membrane-associated progesterone receptor component 1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24314	SINGLE PROTEIN	Phosphatidylinositol-5-phosphate 4-kinase type-2 alpha	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24315	SINGLE PROTEIN	Serine/threonine-protein kinase N3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT831	Individual Protein	Serine/threonine-protein kinase PLK1	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24316	SINGLE PROTEIN	cAMP-dependent protein kinase, gamma catalytic subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24317	SINGLE PROTEIN	AMP-activated protein kinase, gamma-1 subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24318	SINGLE PROTEIN	AMP-activated protein kinase, gamma-2 subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24319	SINGLE PROTEIN	cAMP-dependent protein kinase type II-alpha regulatory subunit	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT760	Individual Protein	Protein kinase C beta	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT881	Individual Protein	Protein kinase C delta	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT887	Individual Protein	Protein kinase C theta	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24320	SINGLE PROTEIN	26S protease regulatory subunit 6B	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24322	SINGLE PROTEIN	Uncharacterized protein FLJ45252	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24323	SINGLE PROTEIN	Ras-related protein Rab-10	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24324	SINGLE PROTEIN	Ras-related protein Rab-27A	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT25850	SINGLE PROTEIN	Ras-related protein Rab-6A	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24325	SINGLE PROTEIN	Rab-like protein 3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24326	SINGLE PROTEIN	GTP-binding nuclear protein Ran	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24327	SINGLE PROTEIN	Receptor-interacting serine/threonine-protein kinase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24328	SINGLE PROTEIN	Septin-9	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24330	SINGLE PROTEIN	Exosome RNA helicase MTR4	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24331	SINGLE PROTEIN	ADP/ATP translocase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24332	SINGLE PROTEIN	ADP/ATP translocase 3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24333	SINGLE PROTEIN	Structural maintenance of chromosomes protein 1A	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24334	SINGLE PROTEIN	Structural maintenance of chromosomes protein 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24335	SINGLE PROTEIN	U5 small nuclear ribonucleoprotein 200 kDa helicase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24336	SINGLE PROTEIN	Signal recognition particle receptor subunit alpha	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24337	SINGLE PROTEIN	STE20-related kinase adapter protein alpha	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT25895	SINGLE PROTEIN	Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24338	SINGLE PROTEIN	Dual specificity testis-specific protein kinase 2	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24339	SINGLE PROTEIN	Thyroid hormone receptor-associated protein 3	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24340	SINGLE PROTEIN	TP53-regulating kinase	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT24341	SINGLE PROTEIN	Elongation factor Tu, mitochondrial	Homo sapiens	Kd	>	30000.0	nM	PMID[29191878]
NPT6559	Protein Complex	PI3-kinase p110-alpha/p85-alpha	Homo sapiens	IC50	=	7500.0	nM	PMID[28106991]
NPT18756	PROTEIN COMPLEX	PI3K p110 beta/p85 alpha	Homo sapiens	IC50	=	3700.0	nM	PMID[28106991]
NPT18602	PROTEIN COMPLEX	PI3-kinase p110-delta/p85-alpha	Homo sapiens	IC50	=	18.0	nM	PMID[28106991]
NPT2	Others	Unspecified		Ratio IC50	=	20.0	n.a.	PMID[28541707]
NPT25047	CELL-LINE	SU-DHL-6	Homo sapiens	IC50	=	117.6	nM	PMID[27846451]
NPT2	Others	Unspecified		IC50	>	10000.0	nM	PMID[27846451]
NPT22854	CELL-LINE	SUD4	Homo sapiens	IC50	=	1600.0	nM	PMID[27846451]
NPT18602	PROTEIN COMPLEX	PI3-kinase p110-delta/p85-alpha	Homo sapiens	Inhibition	=	96.0	%	PMID[28325601]
NPT18602	PROTEIN COMPLEX	PI3-kinase p110-delta/p85-alpha	Homo sapiens	IC50	=	2.7	nM	PMID[28325601]
NPT2	Others	Unspecified		IC50	=	5.49	nM	PMID[28325601]
NPT2	Others	Unspecified		IC50	=	70.0	nM	PMID[28648460]
NPT2	Others	Unspecified		Inhibition	=	102.8	%	PMID[28648460]
NPT2	Others	Unspecified		IC50	=	300.0	nM	PMID[28648460]
NPT2	Others	Unspecified		Inhibition	=	99.6	%	PMID[28648460]
NPT18597	SINGLE PROTEIN	Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing subunit alpha	Homo sapiens	IC50	>	10000.0	nM	PMID[30053721]
NPT24177	SINGLE PROTEIN	Phosphatidylinositol 3-kinase catalytic subunit type 3	Homo sapiens	IC50	=	4417.0	nM	PMID[30053721]
NPT18667	SINGLE PROTEIN	PI4-kinase alpha subunit	Homo sapiens	IC50	>	10000.0	nM	PMID[30053721]
NPT24396	CELL-LINE	MOLM-14	Homo sapiens	GI50	=	6400.0	nM	PMID[30053721]
NPT25047	CELL-LINE	SU-DHL-6	Homo sapiens	IC50	=	650.0	nM	PMID[29534936]
NPT2	Others	Unspecified		Ratio IC50	=	460.0	n.a.	PMID[29601991]
NPT2	Others	Unspecified		Ratio IC50	=	80.0	n.a.	PMID[29601991]
NPT2	Others	Unspecified		Ratio IC50	=	86.0	n.a.	PMID[29601991]
NPT25047	CELL-LINE	SU-DHL-6	Homo sapiens	GI50	=	42.0	nM	PMID[29601991]
NPT6559	Protein Complex	PI3-kinase p110-alpha/p85-alpha	Homo sapiens	IC50	=	2000.0	nM	PMID[30237123]
NPT18756	PROTEIN COMPLEX	PI3K p110 beta/p85 alpha	Homo sapiens	IC50	=	600.0	nM	PMID[30237123]
NPT18602	PROTEIN COMPLEX	PI3-kinase p110-delta/p85-alpha	Homo sapiens	IC50	=	17.0	nM	PMID[30237123]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-4.09	%	DOI[10.21203/rs.3.rs-23951/v1]
NPT2	Others	Unspecified		Ratio IC50	=	33.0	n.a.	PMID[31176568]
NPT2	Others	Unspecified		Ratio IC50	>	100.0	n.a.	PMID[31176568]
NPT2	Others	Unspecified		IC50	>	20000.0	nM	PMID[31335136]
NPT18756	PROTEIN COMPLEX	PI3K p110 beta/p85 alpha	Homo sapiens	IC50	=	3807.0	nM	PMID[30530193]
NPT6559	Protein Complex	PI3-kinase p110-alpha/p85-alpha	Homo sapiens	IC50	=	800.0	nM	PMID[30530193]
NPT2	Others	Unspecified		Ratio IC50	=	330.0	n.a.	PMID[30582813]
NPT2	Others	Unspecified		Ratio IC50	=	230.0	n.a.	PMID[30582813]
NPT2	Others	Unspecified		IC50	=	846.0	nM	PMID[30582813]
NPT24177	SINGLE PROTEIN	Phosphatidylinositol 3-kinase catalytic subunit type 3	Homo sapiens	IC50	=	980.0	nM	PMID[30582813]
NPT18602	PROTEIN COMPLEX	PI3-kinase p110-delta/p85-alpha	Homo sapiens	IC50	=	2.0	nM	PMID[31033293]
NPT18756	PROTEIN COMPLEX	PI3K p110 beta/p85 alpha	Homo sapiens	IC50	=	293.0	nM	PMID[31033293]
NPT18602	PROTEIN COMPLEX	PI3-kinase p110-delta/p85-alpha	Homo sapiens	Inhibition	<	50.0	%	PMID[31033293]
NPT18756	PROTEIN COMPLEX	PI3K p110 beta/p85 alpha	Homo sapiens	Inhibition	<	50.0	%	PMID[31033293]
NPT2	Others	Unspecified		IC50	=	337.0	nM	PMID[31033293]
NPT6559	Protein Complex	PI3-kinase p110-alpha/p85-alpha	Homo sapiens	IC50	=	8600.0	nM	PMID[31550151]
NPT18602	PROTEIN COMPLEX	PI3-kinase p110-delta/p85-alpha	Homo sapiens	IC50	=	19.0	nM	PMID[31550151]
NPT2	Others	Unspecified		Ratio IC50	=	19.0	n.a.	PMID[30996859]
NPT2	Others	Unspecified		Ratio IC50	=	88.0	n.a.	PMID[30996859]
NPT2	Others	Unspecified		Ratio IC50	=	257.0	n.a.	PMID[30996859]
NPT25047	CELL-LINE	SU-DHL-6	Homo sapiens	GI50	=	20.0	nM	PMID[30996859]
NPT18602	PROTEIN COMPLEX	PI3-kinase p110-delta/p85-alpha	Homo sapiens	IC50	=	1.8	nM	PMID[30878826]
NPT25047	CELL-LINE	SU-DHL-6	Homo sapiens	GI50	=	124.0	nM	PMID[30878826]
NPT6559	Protein Complex	PI3-kinase p110-alpha/p85-alpha	Homo sapiens	IC50	=	2164.0	nM	PMID[30878826]
NPT2	Others	Unspecified		Ratio IC50	=	1202.0	n.a.	PMID[30878826]
NPT2	Others	Unspecified		Ratio IC50	=	85.0	n.a.	PMID[30878826]
NPT2	Others	Unspecified		Ratio IC50	=	35.0	n.a.	PMID[30878826]
NPT18762	CELL-LINE	TMD8	Homo sapiens	IC50	=	795.0	nM	PMID[30975623]
NPT940	Individual Protein	Serine/threonine-protein kinase mTOR	Homo sapiens	IC50	>	1000.0	nM	PMID[30975623]
NPT25047	CELL-LINE	SU-DHL-6	Homo sapiens	IC50	=	33.0	nM	PMID[31434616]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	30.29	%	DOI[10.6019/CHEMBL4495564]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	9.69	%	DOI[10.6019/CHEMBL4495564]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.9913	%	DOI[10.6019/CHEMBL4495564]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.1	%	DOI[10.6019/CHEMBL4495565]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	0.18	%	DOI[10.6019/CHEMBL4495565]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.23	%	DOI[10.6019/CHEMBL4495565]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	20000.0	nM	DOI[10.6019/CHEMBL4651402]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	19952.62	nM	DOI[10.6019/CHEMBL4651402]
NPT18602	PROTEIN COMPLEX	PI3-kinase p110-delta/p85-alpha	Homo sapiens	IC50	=	3.4	nM	PMID[32078865]
NPT25047	CELL-LINE	SU-DHL-6	Homo sapiens	GI50	=	34.0	nM	PMID[32078865]
NPT2	Others	Unspecified		Ratio IC50	=	65.0	n.a.	PMID[33180507]
NPT2	Others	Unspecified		Ratio IC50	=	141.0	n.a.	PMID[33180507]
NPT2	Others	Unspecified		Ratio IC50	=	11.0	n.a.	PMID[33180507]
NPT25047	CELL-LINE	SU-DHL-6	Homo sapiens	IC50	=	22.5	nM	PMID[33297683]
NPT18763	CELL-LINE	OCI-Ly10	Homo sapiens	IC50	=	31.9	nM	PMID[33297683]
NPT18762	CELL-LINE	TMD8	Homo sapiens	IC50	=	7.3	nM	PMID[33297683]
NPT18763	CELL-LINE	OCI-Ly10	Homo sapiens	Activity	=	828.42	mm3	PMID[33297683]
NPT18763	CELL-LINE	OCI-Ly10	Homo sapiens	TGI	=	47.33	%	PMID[33297683]
NPT18763	CELL-LINE	OCI-Ly10	Homo sapiens	Activity	=	0.48	g	PMID[33297683]
NPT27	Others	Unspecified		Activity	=	20.68	g	PMID[33297683]
NPT18762	CELL-LINE	TMD8	Homo sapiens	Activity	=	1312.58	mm3	PMID[33297683]
NPT18762	CELL-LINE	TMD8	Homo sapiens	TGI	=	29.28	%	PMID[33297683]
NPT18762	CELL-LINE	TMD8	Homo sapiens	Activity	=	1.07	g	PMID[33297683]
NPT27	Others	Unspecified		Activity	=	25.03	g	PMID[33297683]
NPT25047	CELL-LINE	SU-DHL-6	Homo sapiens	Activity	=	1276.78	mm3	PMID[33297683]
NPT25047	CELL-LINE	SU-DHL-6	Homo sapiens	TGI	=	38.52	%	PMID[33297683]
NPT25047	CELL-LINE	SU-DHL-6	Homo sapiens	Activity	=	1.25	g	PMID[33297683]
NPT27	Others	Unspecified		Activity	=	23.84	g	PMID[33297683]
NPT2	Others	Unspecified		Ratio IC50	>	106.0	n.a.	PMID[32784091]
NPT26782	CELL-LINE	OCI-Ly3	Homo sapiens	IC50	=	5200.0	nM	PMID[32784091]
NPT18763	CELL-LINE	OCI-Ly10	Homo sapiens	IC50	>	10000.0	nM	PMID[32784091]
NPT25047	CELL-LINE	SU-DHL-6	Homo sapiens	IC50	=	120.0	nM	PMID[32784091]
NPT26265	CELL-LINE	JeKo-1	Homo sapiens	IC50	=	120.0	nM	PMID[32784091]
NPT21742	CELL-LINE	L02	Homo sapiens	IC50	>	20000.0	nM	PMID[32784091]
NPT27200	CELL-LINE	Pfeiffer	Homo sapiens	IC50	=	6800.0	nM	PMID[27846451]
NPT27734	CELL-LINE	SU-DHL10	Homo sapiens	IC50	>	10000.0	nM	PMID[27846451]
NPT27200	CELL-LINE	Pfeiffer	Homo sapiens	GI50	=	740.0	nM	PMID[28835805]

☑ 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 NPC478418 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	988
0.1-0.2	13616
0.2-0.3	19021
0.3-0.4	3938
0.4-0.5	2225
0.5-0.6	2040
0.6-0.7	725
0.7-0.8	129
0.8-0.85	12
0.85-0.9	2
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID

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 NPC478418 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	397
0.1-0.2	813
0.2-0.3	1292
0.3-0.4	2164
0.4-0.5	1845
0.5-0.6	1619
0.6-0.7	823
0.7-0.8	182
0.8-0.85	13
0.85-0.9	0
0.9-0.95	1
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage

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