BDBM233039 Finasteride (3)

SMILES: CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@]12C

InChI Key: InChIKey=DBEPLOCGEIEOCV-USODZXNSSA-N

Data: 1 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 1 hit for monomerid = 233039   

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
5-alpha-Reductase (5α-Reductase) (Homo sapiens (Human))	BDBM233039 (Finasteride (3)) Show SMILES CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@]12C |r,c:18| Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14?,15?,16?,17?,18?,22-,23+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	6.5	37
Universidad Nacional Autónoma de México					Assay Description The reaction mixture contained a final volume of 1 mL: 1 mM dithiothreitol, sodium phosphate buffer 40 mM, at pH 6.5 for human prostate, 2 mM NADPH, ...				J Enzyme Inhib Med Chem 25: 306-11 (2010) Article DOI: 10.3109/14756360903179401 BindingDB Entry DOI: 10.7270/Q2G15ZQ6
					More data for this Ligand-Target Pair