BDBM50031874 (4aR,6aS,7S)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid (2-chloro-6-trifluoromethyl-phenyl)-amide::CHEMBL86832

SMILES: C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)Nc1c(Cl)cccc1C(F)(F)F

InChI Key: InChIKey=CHSQDJYRTBPAPX-BEOHRZGDSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50031874   

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))	BDBM50031874 ((4aR,6aS,7S)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7...) Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)Nc1c(Cl)cccc1C(F)(F)F |c:12| Show InChI InChI=1S/C26H30ClF3N2O2/c1-24-12-10-16-14(6-9-20-25(16,2)13-11-21(33)31-20)15(24)7-8-18(24)23(34)32-22-17(26(28,29)30)4-3-5-19(22)27/h3-5,11,13-16,18,20H,6-10,12H2,1-2H3,(H,31,33)(H,32,34)/t14?,15?,16?,18-,20?,24+,25-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Binding affinity to recombinant human Steroid 5-alpha-reductase type I was evaluated				J Med Chem 38: 2621-7 (1995) BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50031874 ((4aR,6aS,7S)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7...) Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)Nc1c(Cl)cccc1C(F)(F)F |c:12| Show InChI InChI=1S/C26H30ClF3N2O2/c1-24-12-10-16-14(6-9-20-25(16,2)13-11-21(33)31-20)15(24)7-8-18(24)23(34)32-22-17(26(28,29)30)4-3-5-19(22)27/h3-5,11,13-16,18,20H,6-10,12H2,1-2H3,(H,31,33)(H,32,34)/t14?,15?,16?,18-,20?,24+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibitory activity measured on human steroid 5-alpha-reductase type 2				J Med Chem 38: 2621-7 (1995) BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair