Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50112723'   

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
Endothelin-1 receptor (RAT)	BDBM50112723 (2-Benzo[1,3]dioxol-5-yl-4-(4-methoxy-phenyl)-2H-ch...) Show SMILES COc1ccc(cc1)C1=C(C(Oc2ccccc12)c1ccc2OCOc2c1)C(O)=O |t:9| Show InChI InChI=1S/C24H18O6/c1-27-16-9-6-14(7-10-16)21-17-4-2-3-5-18(17)30-23(22(21)24(25)26)15-8-11-19-20(12-15)29-13-28-19/h2-12,23H,13H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50112723 (2-Benzo[1,3]dioxol-5-yl-4-(4-methoxy-phenyl)-2H-ch...) Show SMILES COc1ccc(cc1)C1=C(C(Oc2ccccc12)c1ccc2OCOc2c1)C(O)=O |t:9| Show InChI InChI=1S/C24H18O6/c1-27-16-9-6-14(7-10-16)21-17-4-2-3-5-18(17)30-23(22(21)24(25)26)15-8-11-19-20(12-15)29-13-28-19/h2-12,23H,13H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity for endothelin A receptor by inhibition of [125I]-ET-1 binding in rat aorta smooth muscle cells				J Med Chem 45: 2041-55 (2002) BindingDB Entry DOI: 10.7270/Q24J0DGM
					More data for this Ligand-Target Pair