Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50107559'   

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)	BDBM50107559 (CHEMBL168904 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES CCCc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c(c(OCCOc2ncc(Br)cn2)n1)-c1ccc(C)cc1 Show InChI InChI=1S/C30H34BrN5O4S/c1-6-7-25-34-27(36-41(37,38)24-14-12-22(13-15-24)30(3,4)5)26(21-10-8-20(2)9-11-21)28(35-25)39-16-17-40-29-32-18-23(31)19-33-29/h8-15,18-19H,6-7,16-17H2,1-5H3,(H,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.				Bioorg Med Chem Lett 12: 81-4 (2001) BindingDB Entry DOI: 10.7270/Q2VX0FSC
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