BDBM50034151 CHEMBL280015::Pentanoic acid pentyl-((4aR,6aS,7S,11aR)-1,4a,6a-trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinolin-7-yl)-amide

SMILES: CCCCCN([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CCCC

InChI Key: InChIKey=UXPXDVPWMPHDER-IHGFCISLSA-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 = 50034151   

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))	BDBM50034151 (CHEMBL280015 | Pentanoic acid pentyl-((4aR,6aS,7S,...) Show SMILES CCCCCN([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CCCC Show InChI InChI=1S/C29H50N2O2/c1-6-8-10-20-31(27(33)11-9-7-2)25-15-13-22-21-12-14-24-28(3,19-17-26(32)30(24)5)23(21)16-18-29(22,25)4/h21-25H,6-20H2,1-5H3/t21?,22?,23?,24-,25+,28-,29+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	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))	BDBM50034151 (CHEMBL280015 | Pentanoic acid pentyl-((4aR,6aS,7S,...) Show SMILES CCCCCN([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CCCC Show InChI InChI=1S/C29H50N2O2/c1-6-8-10-20-31(27(33)11-9-7-2)25-15-13-22-21-12-14-24-28(3,19-17-26(32)30(24)5)23(21)16-18-29(22,25)4/h21-25H,6-20H2,1-5H3/t21?,22?,23?,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