BDBM233042 3,20-Dioxo-6,7-epoxypregn-4-ene-7α-yl acetate (8)

SMILES: CC(=O)O[C@@]1(CCC2C3[C@@H]4O[C@@H]4C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O

InChI Key: InChIKey=HJWYHFCVJSNEOQ-OJSINQFYSA-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 = 233042   

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))	BDBM233042 (3,20-Dioxo-6,7-epoxypregn-4-ene-7α-yl acetate...) Show SMILES CC(=O)O[C@@]1(CCC2C3[C@@H]4O[C@@H]4C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O |r,t:13| Show InChI InChI=1S/C23H30O5/c1-12(24)23(28-13(2)25)10-7-16-18-15(6-9-22(16,23)4)21(3)8-5-14(26)11-17(21)19-20(18)27-19/h11,15-16,18-20H,5-10H2,1-4H3/t15?,16?,18?,19-,20+,21-,22+,23+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	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