Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 435.4 BDBM85468

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM85468 (17Beta-HSD Inhibitor, 3) Show SMILES O=[#6](-[#8]\[#6](=[#6](/c1ccccc1)-c1ccccc1)-c1ccccc1)C1([#6]C#C)[#6]-[#6](=O)-[#7]-[#6]1=O Show InChI InChI=1S/C28H21NO4/c1-2-18-28(19-23(30)29-26(28)31)27(32)33-25(22-16-10-5-11-17-22)24(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h1,3-17H,18-19H2,(H,29,30,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.15E+3	n/a	n/a	n/a	n/a	7.45	37
Cardiff University					Assay Description Inhibition assay of human testes mcrosomal 17 beta-hydroxysteroid dehydrogenase for the reduction of androstenedione.				J Enzym Inhib 16: 35-45 (2001) Article DOI: 10.1080/14756360109162353 BindingDB Entry DOI: 10.7270/Q2SX6BRB
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