Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50069568'   

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)	BDBM50069568 (1-Benzo[1,3]dioxol-5-ylmethyl-4-(4-methoxy-phenyl)...) Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccc3OCOc3c2)c2c3ccccc3oc12 Show InChI InChI=1S/C27H19NO7/c1-32-17-9-7-16(8-10-17)22-23(27(30)31)26(29)28(13-15-6-11-20-21(12-15)34-14-33-20)24-18-4-2-3-5-19(18)35-25(22)24/h2-12H,13-14H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	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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