Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50070888'   

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)	BDBM50070888 (CHEMBL298725 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1F)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C27H23FN2O7S/c1-34-21-8-6-16(12-18(21)28)25(31)17(9-14-10-22(35-2)26(37-4)23(11-14)36-3)24(27(32)33)15-5-7-19-20(13-15)30-38-29-19/h5-8,10-13H,9H2,1-4H3,(H,32,33)/p-1/b24-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0320	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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