Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1468 | Crassostrea virginica | Species | Ostreidae | Eukaryota | UNPD* | |||
NPO2419 | Macrocentrus cingulum | Species | Braconidae | Eukaryota | UNPD* | |||
NPO2610 | Chionodoxa gigantea | NA | NA | NA | UNPD* | |||
NPO1077 | Piper dilatatum | Species | Piperaceae | Eukaryota | UNPD* | |||
NPO6679 | Tephrosia watsoniana | Species | Geometridae | Eukaryota | UNPD* | |||
NPO6060 | Amaranthus spinosus | Species | Amaranthaceae | Eukaryota | UNPD* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT32 | Organism | Mus musculus | Mus musculus | IC50 | = | 1200000 | nM | 15026070 |
NPT1347 | Protein Family | Alcohol dehydrogenase | Equus caballus | Ki | = | 42000000 | nM | 6343601 |
NPT19 | Organism | Escherichia coli | Escherichia coli | Inhibition | = | 93.8 | % | 9873700 |
NPT524 | Individual Protein | Serine-protein kinase ATM | Homo sapiens | IC50 | = | 200 | nM | 18077363 |
NPT4884 | Individual Protein | Serine-protein kinase ATR | Homo sapiens | IC50 | = | 200 | nM | 18077363 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | IC10 | = | 0.021 | nM | 20828889 |
NPT210 | Individual Protein | Thyroid stimulating hormone receptor | Homo sapiens | Potency | = | 398.1 | nM | PubChem BioAssay data set |
NPT524 | Individual Protein | Serine-protein kinase ATM | Homo sapiens | Potency | = | 2238.7 | nM | PubChem BioAssay data set |
NPT1466 | Organism | Escherichia coli K12 | Escherichia coli K-12 | MIC | = | 200000000 | nM | 19223646 |
NPT1466 | Organism | Escherichia coli K12 | Escherichia coli K-12 | MIC | = | 150000000 | nM | 19223646 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | IC50 | = | 21000 | nM | 21981981 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | Ki | = | 19600 | nM | 21981981 |
NPT861 | Individual Protein | Isocitrate dehydrogenase [NADP] cytoplasmic | Homo sapiens | Potency | 44668.4 | nM | PubChem BioAssay data set | |
NPT103 | Individual Protein | Nuclear receptor ROR-gamma | Homo sapiens | Potency | 74978 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | IC50 | = | 25000 | nM | 10.1007/s00044-011-9762-6 | |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | IC50 | = | 21000 | nM | 10.1007/s00044-011-9804-0 |
NPT2 | Others | Unspecified | IC50 | = | 50105 | nM | 10.1007/s00044-011-9745-7 | |
NPT2 | Others | Unspecified | Inhibition | = | 8.16 | % | 10.1007/s00044-011-9745-7 | |
NPT2 | Others | Unspecified | Inhibition | = | 14.54 | % | 10.1007/s00044-011-9745-7 | |
NPT2 | Others | Unspecified | Inhibition | = | 20.92 | % | 10.1007/s00044-011-9745-7 | |
NPT2 | Others | Unspecified | Inhibition | = | 8.09 | % | 10.1007/s00044-011-9745-7 | |
NPT2 | Others | Unspecified | Inhibition | = | 94.33 | % | 10.1007/s00044-011-9745-7 | |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | Inhibition | = | 8 | % | 10.1007/s00044-010-9491-2 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | Inhibition | = | 15 | % | 10.1007/s00044-010-9491-2 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | Inhibition | = | 21 | % | 10.1007/s00044-010-9491-2 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | Inhibition | = | 94 | % | 10.1007/s00044-010-9491-2 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | IC50 | = | 21000 | nM | 10.1007/s00044-013-0575-7 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | Inhibition | = | 99 | % | 10.1007/s00044-013-0575-7 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | Inhibition | = | 97.1 | % | 10.1007/s00044-013-0575-7 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | Ki | = | 23000 | nM | 10.1007/s00044-012-0376-4 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | IC50 | = | 51.62 | ug/ml | 23871903 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | Inhibition | = | 92.2 | % | 23871903 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | IC50 | = | 51.62 | ug/ml | 24095755 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | Inhibition | = | 92.2 | % | 24095755 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | Inhibition | = | 100 | % | 24095755 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | IC50 | = | 22300 | nM | 24185379 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | Ki | = | 20010 | nM | 24486414 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | IC50 | = | 21000 | nM | 24486414 |
NPT2 | Others | Unspecified | Potency | 26723.9 | nM | PubChem BioAssay data set | ||
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | 47443.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 6164.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 4896.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 21423.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | IC50 | = | 21000 | nM | 24986232 | |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | IC50 | = | 21500 | nM | 25305332 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | IC50 | = | 21000 | nM | 26077497 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | IC50 | = | 21000 | nM | 26081763 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | Inhibition | = | 88.7 | % | 26310891 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | IC50 | = | 21250 | nM | 26310891 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | IC50 | = | 19460 | nM | 26507431 |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | IC50 | = | 22300 | nM | 10.1039/C5MD00529A |
NPT4885 | Individual Protein | Urease | Canavalia ensiformis | IC50 | = | 22300 | nM | 27480030 |
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 NPC162045 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC162045 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
PubChem CID   | 2723790 |
ChEMBL   | CHEMBL260876 |
ZINC   |
Molecular Weight:   | 76.01 |
ALogP:   | 0.5528 |
MLogP:   | 1.24 |
XLogP:   | 0.067 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 88.67 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 4 |