Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50285157'   

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)	BDBM50285157 (2-{1-[1-(1-{3-carbamoyl-1-[10,11-dihydro-5H-dibenz...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C51H64N8O11/c1-7-27(2)42(47(66)57-38(50(69)70)24-31-26-53-35-19-13-12-16-32(31)35)58-49(68)44(51(4,5)6)59-46(65)37(25-40(62)63)56-45(64)36(22-23-39(52)61)55-48(67)43(54-28(3)60)41-33-17-10-8-14-29(33)20-21-30-15-9-11-18-34(30)41/h8-19,26-27,36-38,41-44,53H,7,20-25H2,1-6H3,(H2,52,61)(H,54,60)(H,55,67)(H,56,64)(H,57,66)(H,58,68)(H,59,65)(H,62,63)(H,69,70)/t27-,36-,37-,38-,42-,43+,44+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity against ET-A from porcine heart membranes				Bioorg Med Chem Lett 5: 2041-2044 (1995) Article DOI: 10.1016/0960-894X(95)00349-X BindingDB Entry DOI: 10.7270/Q26D5TF8
					More data for this Ligand-Target Pair