Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 454.5 BDBM50241208Purchase

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

Found 3 hits 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))	BDBM50241208 ((2E,6E)-2,6-bis(3,4,5-trimethoxybenzylidene)cycloh...) Show SMILES COc1cc(\C=C2/CCC\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC Show InChI InChI=1S/C26H30O7/c1-28-20-12-16(13-21(29-2)25(20)32-5)10-18-8-7-9-19(24(18)27)11-17-14-22(30-3)26(33-6)23(15-17)31-4/h10-15H,7-9H2,1-6H3/b18-10+,19-11+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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 human testis microsomes				Bioorg Med Chem Lett 20: 2549-51 (2010) Article DOI: 10.1016/j.bmcl.2010.02.089 BindingDB Entry DOI: 10.7270/Q2R211J3
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Rattus norvegicus)	BDBM50241208 ((2E,6E)-2,6-bis(3,4,5-trimethoxybenzylidene)cycloh...) Show SMILES COc1cc(\C=C2/CCC\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC Show InChI InChI=1S/C26H30O7/c1-28-20-12-16(13-21(29-2)25(20)32-5)10-18-8-7-9-19(24(18)27)11-17-14-22(30-3)26(33-6)23(15-17)31-4/h10-15H,7-9H2,1-6H3/b18-10+,19-11+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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 testis microsomes				Bioorg Med Chem Lett 20: 2549-51 (2010) Article DOI: 10.1016/j.bmcl.2010.02.089 BindingDB Entry DOI: 10.7270/Q2R211J3
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Rattus norvegicus)	BDBM50241208 ((2E,6E)-2,6-bis(3,4,5-trimethoxybenzylidene)cycloh...) Show SMILES COc1cc(\C=C2/CCC\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC Show InChI InChI=1S/C26H30O7/c1-28-20-12-16(13-21(29-2)25(20)32-5)10-18-8-7-9-19(24(18)27)11-17-14-22(30-3)26(33-6)23(15-17)31-4/h10-15H,7-9H2,1-6H3/b18-10+,19-11+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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
					More data for this Ligand-Target Pair