BDBM50034149 CHEMBL17422::N-(4-Nitro-3-trifluoromethyl-phenyl)-N-((4aR,6aS,7S,11aR)-1,4a,6a-trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinolin-7-yl)-isobutyramide

SMILES: CC(C)C(=O)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

InChI Key: InChIKey=LKNFDSRIORPFMJ-IFWUYHOBSA-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 = 50034149   

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))	BDBM50034149 (CHEMBL17422 | N-(4-Nitro-3-trifluoromethyl-phenyl)...) Show SMILES CC(C)C(=O)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C30H40F3N3O4/c1-17(2)27(38)35(18-6-9-23(36(39)40)22(16-18)30(31,32)33)25-11-8-20-19-7-10-24-28(3,15-13-26(37)34(24)5)21(19)12-14-29(20,25)4/h6,9,16-17,19-21,24-25H,7-8,10-15H2,1-5H3/t19?,20?,21?,24-,25+,28-,29+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	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
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50034149 (CHEMBL17422 | N-(4-Nitro-3-trifluoromethyl-phenyl)...) Show SMILES CC(C)C(=O)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C30H40F3N3O4/c1-17(2)27(38)35(18-6-9-23(36(39)40)22(16-18)30(31,32)33)25-11-8-20-19-7-10-24-28(3,15-13-26(37)34(24)5)21(19)12-14-29(20,25)4/h6,9,16-17,19-21,24-25H,7-8,10-15H2,1-5H3/t19?,20?,21?,24-,25+,28-,29+/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