Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50075430'   

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 (RAT)	BDBM50075430 (4-(4-Methoxy-phenyl)-1-(2-methylsulfanyl-benzyl)-2...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2SC)c2c1oc1ccccc21 Show InChI InChI=1S/C27H21NO5S/c1-32-18-13-11-16(12-14-18)22-23(27(30)31)26(29)28(15-17-7-3-6-10-21(17)34-2)24-19-8-4-5-9-20(19)33-25(22)24/h3-14H,15H2,1-2H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Ability to displace [125I]-Endothelin-1 from endothelin A receptor in rat aorta membranes				Bioorg Med Chem Lett 9: 619-22 (1999) BindingDB Entry DOI: 10.7270/Q2DB811P
					More data for this Ligand-Target Pair