Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO8187 | Schisandra chinensis | Species | Schisandraceae | Eukaryota | TCM_Taiwan* |
Activity Type | # Activity |
---|---|
IC50 | 10 |
Kd | 1 |
Ki | 9 |
Others | 4 |
Potency | 88 |
Activity Type | # Activity |
---|---|
Cell Line | 9 |
Individual Protein | 59 |
Others | 44 |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT103 | Individual Protein | Nuclear receptor ROR-gamma | Homo sapiens | Potency | 66824.2 | nM | PubChem BioAssay data set | |
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | 50118.7 | nM | PubChem BioAssay data set | |
NPT108 | Individual Protein | Estrogen receptor alpha | Homo sapiens | Potency | 3981.1 | nM | PubChem BioAssay data set | |
NPT108 | Individual Protein | Estrogen receptor alpha | Homo sapiens | Potency | 31622.8 | nM | PubChem BioAssay data set | |
NPT108 | Individual Protein | Estrogen receptor alpha | Homo sapiens | IC50 | = | 377 | nM | DrugMatrix in vitro pharmacology data |
NPT108 | Individual Protein | Estrogen receptor alpha | Homo sapiens | Ki | = | 108 | nM | DrugMatrix in vitro pharmacology data |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT137 | Cell Line | L1210 | Mus musculus | Activity | < | 15 | % | 16279782 |
NPT149 | Individual Protein | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT149 | Individual Protein | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Homo sapiens | Potency | = | 25118.9 | 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 NPC123273 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 | 149 |
0.1-0.2 | 1217 |
0.2-0.3 | 2893 |
0.3-0.4 | 9620 |
0.4-0.5 | 4758 |
0.5-0.6 | 7013 |
0.6-0.7 | 3988 |
0.7-0.8 | 907 |
0.8-0.85 | 220 |
0.85-0.9 | 67 |
0.9-0.95 | 41 |
0.95-1 | 16 |
Similarity Score | Similarity Level | Natural Product ID |
---|
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
● The left chart: Distribution of similarity level between NPC123273 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range | Tanimoto Coefficient |
---|---|
0-0.1 | 180 |
0.1-0.2 | 1057 |
0.2-0.3 | 1044 |
0.3-0.4 | 2818 |
0.4-0.5 | 2134 |
0.5-0.6 | 1225 |
0.6-0.7 | 565 |
0.7-0.8 | 112 |
0.8-0.85 | 13 |
0.85-0.9 | 3 |
0.9-0.95 | 9 |
0.95-1 | 1 |
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|
PubChem CID | 1752 |
ChEMBL | CHEMBL153062 |
ZINC |
Molecular Weight: | 220.18 |
ALogP: | -2.3626 |
MLogP: | 3 |
XLogP: | 6.919 |
# Rotatable Bonds: | 10 |
Polar Surface Area: | 20.23 |
# H-Bond Aceptor: | 0 |
# H-Bond Donor: | 1 |
# Rings: | 1 |
# Heavy Atoms: | 16 |