Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50284695'   

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 (Sus scrofa)	BDBM50284695 (3-[(S)-2-[(S)-2-(2-Cyclopentyl-acetylamino)-4-meth...) Show SMILES CC(C)C[C@H](NC(=O)CC1CCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(O)=O Show InChI InChI=1S/C27H38N4O5/c1-17(2)13-22(30-24(32)14-18-7-3-4-8-18)27(36)31-23(26(35)28-12-11-25(33)34)15-19-16-29-21-10-6-5-9-20(19)21/h5-6,9-10,16-18,22-23,29H,3-4,7-8,11-15H2,1-2H3,(H,28,35)(H,30,32)(H,31,36)(H,33,34)/t22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity determined against ETA receptor in porcine aortic smooth muscle membrane				Bioorg Med Chem Lett 5: 1395-1400 (1995) Article DOI: 10.1016/0960-894X(95)00221-E BindingDB Entry DOI: 10.7270/Q2GB240T
					More data for this Ligand-Target Pair