BDBM235654 3,20-Dioxopregn-4-ene-17-yl acetate (4)

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

InChI Key: InChIKey=VTHUYJIXSMGYOQ-ZSVPCBOYSA-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 = 235654   

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))	BDBM235654 (3,20-Dioxopregn-4-ene-17-yl acetate (4)) Show SMILES CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O |r,t:11| Show InChI InChI=1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18?,19?,20?,21?,22?,23-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	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