Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50101263'   

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)	BDBM50101263 (CHEMBL49040 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-e...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H25NO6/c1-3-31-19-9-10-20-21(13-19)25(16-4-7-18(30-2)8-5-16)27(14-24(28)29)26(20)17-6-11-22-23(12-17)33-15-32-22/h4-13,25-26H,3,14-15H2,1-2H3,(H,28,29)/t25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	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 (Homo sapiens (Human))	BDBM50101263 (CHEMBL49040 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-e...) Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H25NO6/c1-3-31-19-9-10-20-21(13-19)25(16-4-7-18(30-2)8-5-16)27(14-24(28)29)26(20)17-6-11-22-23(12-17)33-15-32-22/h4-13,25-26H,3,14-15H2,1-2H3,(H,28,29)/t25-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor				Bioorg Med Chem Lett 11: 1737-40 (2001) BindingDB Entry DOI: 10.7270/Q2B27TJ5
					More data for this Ligand-Target Pair