BDBM50057492 (4aR,6aS,7S)-7-(Indole-1-carbonyl)-4a,6a-dimethyl-1,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-indeno[5,4-f]quinolin-2-one::CHEMBL24465
SMILES: C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)n1ccc2ccccc12
InChI Key: InChIKey=ZKJLGJLBCWOCRC-UWYATFCNSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human)) | BDBM50057492 ((4aR,6aS,7S)-7-(Indole-1-carbonyl)-4a,6a-dimethyl-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research Curated by ChEMBL | Assay Description Inhibition of human 5-alpha reductase 2 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-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human)) | BDBM50057492 ((4aR,6aS,7S)-7-(Indole-1-carbonyl)-4a,6a-dimethyl-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research Curated by ChEMBL | Assay Description Inhibitory concentration was tested on 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 |