BDBM235657 4-Bromo-17α-hydroxypregn-4-ene-3,20-dione (7b)

SMILES: CC(=O)[C@@]1(O)CCC2C3CCC4=C(Br)C(=O)CCC4(C)C3CCC12C

InChI Key: InChIKey=HLHJCANZRQJZBB-AJPZMYILSA-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 = 235657   

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))	BDBM235657 (4-Bromo-17α-hydroxypregn-4-ene-3,20-dione (7b...) Show SMILES CC(=O)[C@@]1(O)CCC2C3CCC4=C(Br)C(=O)CCC4(C)C3CCC12C |r,c:11| Show InChI InChI=1S/C21H29BrO3/c1-12(23)21(25)11-7-15-13-4-5-16-18(22)17(24)8-9-19(16,2)14(13)6-10-20(15,21)3/h13-15,25H,4-11H2,1-3H3/t13?,14?,15?,19?,20?,21-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	6.5	37
Metropolitan University-Xochimilco					Assay Description The reaction mixtures contained a final volume of 1 mL, 1 mM DTT, sodium phosphate buffer 40 mM, at pH 6.5, 2 mM, NADPH, 2 nM [1,2,6,7-3H]T or [1,2,3...				J Enzyme Inhib Med Chem 26: 712-9 (2011) Article DOI: 10.3109/14756366.2010.548330 BindingDB Entry DOI: 10.7270/Q25719XS
					More data for this Ligand-Target Pair