Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50288011'   

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))	BDBM50288011 (5-Bromo-N-(4-bromo-3-methyl-isoxazol-5-yl)-2-metho...) Show SMILES COc1ccc(Br)cc1S(=O)(=O)Nc1onc(C)c1Br Show InChI InChI=1S/C11H10Br2N2O4S/c1-6-10(13)11(19-14-6)15-20(16,17)9-5-7(12)3-4-8(9)18-2/h3-5,15H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human Endothelin A receptor in TE 671(ATCC# HTB 139) cell membrane preparation				Bioorg Med Chem Lett 6: 2393-2398 (1996) Article DOI: 10.1016/0960-894X(96)00441-6 BindingDB Entry DOI: 10.7270/Q22V2G3R
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