Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50070883'   

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)	BDBM50070883 (CHEMBL300201 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1cc(C\C(C(=O)c2ccc(OC(C)C)c(F)c2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC Show InChI InChI=1S/C29H27FN2O7S/c1-15(2)39-23-9-7-18(13-20(23)30)27(33)19(10-16-11-24(36-3)28(38-5)25(12-16)37-4)26(29(34)35)17-6-8-21-22(14-17)32-40-31-21/h6-9,11-15H,10H2,1-5H3,(H,34,35)/p-1/b26-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
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