Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50069572'   

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)	BDBM50069572 (1-Benzo[1,2,5]thiadiazol-5-ylmethyl-4-(4-methoxy-p...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccc3nsnc3c2)c2c3ccccc3oc12 Show InChI InChI=1S/C26H17N3O5S/c1-33-16-9-7-15(8-10-16)21-22(26(31)32)25(30)29(13-14-6-11-18-19(12-14)28-35-27-18)23-17-4-2-3-5-20(17)34-24(21)23/h2-12H,13H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
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