Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50070873'   

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)	BDBM50070873 (CHEMBL301577 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1cc(C\C(C(=O)c2cc(OC)c(OC)c(OC)c2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC Show InChI InChI=1S/C29H28N2O9S/c1-35-21-10-15(11-22(36-2)27(21)39-5)9-18(25(29(33)34)16-7-8-19-20(12-16)31-41-30-19)26(32)17-13-23(37-3)28(40-6)24(14-17)38-4/h7-8,10-14H,9H2,1-6H3,(H,33,34)/p-1/b25-18-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70	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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