Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO13879 | Humulus lupulus | Species | Cannabaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT210 | Individual Protein | Thyroid stimulating hormone receptor | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 25118.9 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 12589.3 | nM | PubChem BioAssay data set | |
NPT539 | Individual Protein | Cellular tumor antigen p53 | Homo sapiens | Potency | = | 5 | nM | PubChem BioAssay data set |
NPT102 | Individual Protein | Interleukin-8 | Homo sapiens | Potency | 33491.5 | nM | PubChem BioAssay data set | |
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 3060.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 34341.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 68519.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 15339.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 54427.3 | nM | PubChem BioAssay data set | ||
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 3088.8 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 9767.7 | nM | PubChem BioAssay data set | ||
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 1534 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 21667.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 24311.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 6106.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 27278.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 38.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 8705.4 | nM | PubChem BioAssay data set |
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 NPC96619 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
0.8095 | Intermediate Similarity | NPC225855 |
0.7727 | Intermediate Similarity | NPC178306 |
0.7692 | Intermediate Similarity | NPC288991 |
0.7692 | Intermediate Similarity | NPC262789 |
0.7692 | Intermediate Similarity | NPC64176 |
0.7619 | Intermediate Similarity | NPC33192 |
0.7407 | Intermediate Similarity | NPC138113 |
0.7143 | Intermediate Similarity | NPC60288 |
0.6538 | Remote Similarity | NPC88325 |
0.6452 | Remote Similarity | NPC173592 |
0.6452 | Remote Similarity | NPC305759 |
0.6452 | Remote Similarity | NPC99088 |
0.6333 | Remote Similarity | NPC206088 |
0.6333 | Remote Similarity | NPC66577 |
0.6296 | Remote Similarity | NPC266144 |
0.6296 | Remote Similarity | NPC287191 |
0.6296 | Remote Similarity | NPC266539 |
0.6296 | Remote Similarity | NPC31891 |
0.6207 | Remote Similarity | NPC123965 |
0.6207 | Remote Similarity | NPC115959 |
0.6071 | Remote Similarity | NPC10183 |
0.6061 | Remote Similarity | NPC282119 |
0.5926 | Remote Similarity | NPC38513 |
0.5862 | Remote Similarity | NPC76765 |
0.5862 | Remote Similarity | NPC138325 |
0.5862 | Remote Similarity | NPC179103 |
0.5806 | Remote Similarity | NPC3649 |
0.5806 | Remote Similarity | NPC471327 |
0.5806 | Remote Similarity | NPC100879 |
0.5769 | Remote Similarity | NPC142438 |
0.5714 | Remote Similarity | NPC45727 |
0.5714 | Remote Similarity | NPC48638 |
0.5667 | Remote Similarity | NPC34671 |
0.5625 | Remote Similarity | NPC213749 |
0.5625 | Remote Similarity | NPC13217 |
0.5625 | Remote Similarity | NPC266979 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC96619 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.6154 | Remote Similarity | NPD8834 | Discontinued |
PubChem CID   | 6557 |
ChEMBL   | CHEMBL1566132 |
ZINC   |
Molecular Weight:   | 68.06 |
ALogP:   | 1.8614 |
MLogP:   | 2.01 |
XLogP:   | 2.348 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 0 |
# H-Bond Aceptor:   | 0 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 5 |