Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50285148'   

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)	BDBM50285148 (2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C51H65N7O10/c1-8-29(6)44(49(65)56-40(51(67)68)24-33-26-52-37-20-14-13-17-34(33)37)58-48(64)43(28(4)5)57-47(63)39(25-41(60)61)54-46(62)38(23-27(2)3)55-50(66)45(53-30(7)59)42-35-18-11-9-15-31(35)21-22-32-16-10-12-19-36(32)42/h9-20,26-29,38-40,42-45,52H,8,21-25H2,1-7H3,(H,53,59)(H,54,62)(H,55,66)(H,56,65)(H,57,63)(H,58,64)(H,60,61)(H,67,68)/t29-,38-,39-,40-,43-,44-,45+/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 Inhibition of endothelin (ET-A) binding to 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