BDBM50032763 (4aR,6aS)-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 (3-bromo-phenyl)-amide::CHEMBL110398

SMILES: C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1cccc(Br)c1

InChI Key: InChIKey=WCJXCTSAODIMPY-GXSBFMHBSA-N

Data: 2 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 = 50032763   

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))	BDBM50032763 ((4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,...) Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1cccc(Br)c1 |c:12| Show InChI InChI=1S/C25H31BrN2O2/c1-24-12-10-19-17(6-9-21-25(19,2)13-11-22(29)28-21)18(24)7-8-20(24)23(30)27-16-5-3-4-15(26)14-16/h3-5,11,13-14,17-21H,6-10,12H2,1-2H3,(H,27,30)(H,28,29)/t17?,18?,19?,20?,21?,24-,25+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	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))	BDBM50032763 ((4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,...) Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1cccc(Br)c1 |c:12| Show InChI InChI=1S/C25H31BrN2O2/c1-24-12-10-19-17(6-9-21-25(19,2)13-11-22(29)28-21)18(24)7-8-20(24)23(30)27-16-5-3-4-15(26)14-16/h3-5,11,13-14,17-21H,6-10,12H2,1-2H3,(H,27,30)(H,28,29)/t17?,18?,19?,20?,21?,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	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