Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50105007'   

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)	BDBM50105007 (CHEMBL177924 | N-{6-[2-(5-Bromo-pyrimidin-2-yloxy)...) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(C)cc1 Show InChI InChI=1S/C26H26BrN5O4S/c1-17(2)19-8-10-22(11-9-19)37(33,34)32-24-23(20-6-4-18(3)5-7-20)25(31-16-30-24)35-12-13-36-26-28-14-21(27)15-29-26/h4-11,14-17H,12-13H2,1-3H3,(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.160	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 [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells				J Med Chem 44: 3355-68 (2001) BindingDB Entry DOI: 10.7270/Q2QN662B
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