BDBM50034156 CHEMBL16743::N-((4aR,6aS,7S,11aR)-4a,6a-Dimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinolin-7-yl)-N-methyl-formamide

SMILES: CN(C=O)[C@H]1CCC2C3CC[C@H]4NC(=O)CC[C@]4(C)C3CC[C@]12C

InChI Key: InChIKey=JEXVJSUZISIWIH-GWZHURQHSA-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 = 50034156   

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))	BDBM50034156 (CHEMBL16743 | N-((4aR,6aS,7S,11aR)-4a,6a-Dimethyl-...) Show SMILES CN(C=O)[C@H]1CCC2C3CC[C@H]4NC(=O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C20H32N2O2/c1-19-11-9-18(24)21-16(19)6-4-13-14-5-7-17(22(3)12-23)20(14,2)10-8-15(13)19/h12-17H,4-11H2,1-3H3,(H,21,24)/t13?,14?,15?,16-,17+,19-,20+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70E+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 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
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50034156 (CHEMBL16743 | N-((4aR,6aS,7S,11aR)-4a,6a-Dimethyl-...) Show SMILES CN(C=O)[C@H]1CCC2C3CC[C@H]4NC(=O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C20H32N2O2/c1-19-11-9-18(24)21-16(19)6-4-13-14-5-7-17(22(3)12-23)20(14,2)10-8-15(13)19/h12-17H,4-11H2,1-3H3,(H,21,24)/t13?,14?,15?,16-,17+,19-,20+/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