BDBM235659 4-Bromo-3,20-dioxopregn-4-ene-17-yl-4-ethylbenzoate (8b)

SMILES: CCc1ccc(cc1)C(=O)O[C@@]1(CCC2C3CCC4=C(Br)C(=O)CCC4(C)C3CCC12C)C(C)=O

InChI Key: InChIKey=MFYJJUWPBFFFJS-WUJPIMBYSA-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 = 235659   

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))	BDBM235659 (4-Bromo-3,20-dioxopregn-4-ene-17-yl-4-ethylbenzoat...) Show SMILES CCc1ccc(cc1)C(=O)O[C@@]1(CCC2C3CCC4=C(Br)C(=O)CCC4(C)C3CCC12C)C(C)=O |r,c:19| Show InChI InChI=1S/C30H37BrO4/c1-5-19-6-8-20(9-7-19)27(34)35-30(18(2)32)17-13-23-21-10-11-24-26(31)25(33)14-15-28(24,3)22(21)12-16-29(23,30)4/h6-9,21-23H,5,10-17H2,1-4H3/t21?,22?,23?,28?,29?,30-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	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