BDBM50057484 (1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid (2,5-bis-trifluoromethyl-phenyl)-amide::CHEMBL25183
SMILES: CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)Nc4cc(ccc4C(F)(F)F)C(F)(F)F)C3CN=C12
InChI Key: InChIKey=JMIULZVWYMHHAO-QEKCEQAQSA-N
Data: 2 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5α-Reductase 1 (5α-R1) (Homo sapiens (Human)) | BDBM50057484 ((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research Curated by ChEMBL | Assay Description Binding affinity for human 5 alpha reductase 1 isozyme | J Med Chem 40: 1293-315 (1997) Article DOI: 10.1021/jm960697s BindingDB Entry DOI: 10.7270/Q2W096MN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type I (Homo sapiens (Human)) | BDBM50057484 ((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research Curated by ChEMBL | Assay Description Binding affinity for 3-beta-hydroxysteroid dehydrogenase | J Med Chem 40: 1293-315 (1997) Article DOI: 10.1021/jm960697s BindingDB Entry DOI: 10.7270/Q2W096MN | |||||||||||
More data for this Ligand-Target Pair |