Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 434.5 BDBM50315880

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 (Rattus norvegicus)	BDBM50315880 (1,5-bis(4-(tetrahydro-2H-pyran-3-yloxy)phenyl)pent...) Show SMILES O=C(\C=C\c1ccc(OC2CCCOC2)cc1)/C=C/c1ccc(OC2CCCOC2)cc1 Show InChI InChI=1S/C27H30O5/c28-23(11-5-21-7-13-24(14-8-21)31-26-3-1-17-29-19-26)12-6-22-9-15-25(16-10-22)32-27-4-2-18-30-20-27/h5-16,26-27H,1-4,17-20H2/b11-5+,12-6+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in Sprague-Dawley rat laydig cells				Bioorg Med Chem Lett 20: 2549-51 (2010) Article DOI: 10.1016/j.bmcl.2010.02.089 BindingDB Entry DOI: 10.7270/Q2R211J3
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