BDBM50034161 CHEMBL17245::N-(4-Methoxy-phenyl)-N-((4aR,6aS,7S,11aR)-1,4a,6a-trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinolin-7-yl)-benzamide

SMILES: COc1ccc(cc1)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)c1ccccc1

InChI Key: InChIKey=COZQUHKCQUPYNJ-HKYYUSARSA-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 = 50034161   

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
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50034161 (CHEMBL17245 | N-(4-Methoxy-phenyl)-N-((4aR,6aS,7S,...) Show SMILES COc1ccc(cc1)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)c1ccccc1 Show InChI InChI=1S/C33H42N2O3/c1-32-21-19-30(36)34(3)28(32)16-14-25-26-15-17-29(33(26,2)20-18-27(25)32)35(23-10-12-24(38-4)13-11-23)31(37)22-8-6-5-7-9-22/h5-13,25-29H,14-21H2,1-4H3/t25?,26?,27?,28-,29+,32-,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHUL Research Center Curated by ChEMBL					Assay Description In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells				J Med Chem 38: 1158-73 (1995) BindingDB Entry DOI: 10.7270/Q2NG4R90
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50034161 (CHEMBL17245 | N-(4-Methoxy-phenyl)-N-((4aR,6aS,7S,...) Show SMILES COc1ccc(cc1)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)c1ccccc1 Show InChI InChI=1S/C33H42N2O3/c1-32-21-19-30(36)34(3)28(32)16-14-25-26-15-17-29(33(26,2)20-18-27(25)32)35(23-10-12-24(38-4)13-11-23)31(37)22-8-6-5-7-9-22/h5-13,25-29H,14-21H2,1-4H3/t25?,26?,27?,28-,29+,32-,33+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
CHUL Research Center Curated by ChEMBL					Assay Description In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells				J Med Chem 38: 1158-73 (1995) BindingDB Entry DOI: 10.7270/Q2NG4R90
					More data for this Ligand-Target Pair