Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50080610'   

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 (Homo sapiens (Human))	BDBM50080610 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...) Show SMILES CCC(NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)c1ccccc1 Show InChI InChI=1S/C30H32N2O6/c1-3-24(19-7-5-4-6-8-19)31-27(33)17-32-16-23(21-11-14-25-26(15-21)38-18-37-25)28(30(34)35)29(32)20-9-12-22(36-2)13-10-20/h4-15,23-24,28-29H,3,16-18H2,1-2H3,(H,31,33)(H,34,35)/t23-,24?,28-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding ability determined by the displacement of [125I]-ET-1 from the human endothelin A receptor				J Med Chem 42: 3679-89 (1999) Article DOI: 10.1021/jm990171i BindingDB Entry DOI: 10.7270/Q2125RVT
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