Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50070880'   

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)	BDBM50070880 (CHEMBL48315 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1cc(C\C(C(=O)c2ccc(OC(C)C)cc2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC Show InChI InChI=1S/C29H28N2O7S/c1-16(2)38-20-9-6-18(7-10-20)27(32)21(12-17-13-24(35-3)28(37-5)25(14-17)36-4)26(29(33)34)19-8-11-22-23(15-19)31-39-30-22/h6-11,13-16H,12H2,1-5H3,(H,33,34)/p-1/b26-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	64	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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