BDBM50032795 (4aR,6aS)-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::CHEMBL321867
SMILES: C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)n1ccc2ccccc12
InChI Key: InChIKey=ZKJLGJLBCWOCRC-TYRNGOFNSA-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 1 (Homo sapiens (Human)) | BDBM50032795 ((4aR,6aS)-7-(Indole-1-carbonyl)-4a,6a-dimethyl-1,4...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of recombinant human Steroid 5-alpha-reductase type I | J Med Chem 38: 3189-92 (1995) BindingDB Entry DOI: 10.7270/Q2G161G8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human)) | BDBM50032795 ((4aR,6aS)-7-(Indole-1-carbonyl)-4a,6a-dimethyl-1,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of recombinant human Steroid 5-alpha-reductase type 2 | J Med Chem 38: 3189-92 (1995) BindingDB Entry DOI: 10.7270/Q2G161G8 | |||||||||||
More data for this Ligand-Target Pair |