Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50071422'   

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))	BDBM50071422 (CHEMBL73042 | N-[(R)-1-[1-(Butane-1-sulfonylaminoc...) Show SMILES CCCCS(=O)(=O)NC(=O)C(NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)CC Show InChI InChI=1S/C32H42N4O6S/c1-7-9-16-43(40,41)35-31(38)29(23(5)8-2)34-30(37)27(36(6)32(39)26-18-21(3)17-22(4)19-26)20-24-10-12-25(13-11-24)28-14-15-33-42-28/h10-15,17-19,23,27,29H,7-9,16,20H2,1-6H3,(H,34,37)(H,35,38)/t23?,27-,29?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takarazuka Research Institute Curated by ChEMBL					Assay Description Binding affinity to Endothelin A receptor				Bioorg Med Chem Lett 8: 2241-6 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XQ7
					More data for this Ligand-Target Pair