Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50089711'   

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 receptor type B (RAT)	BDBM50089711 (4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)...) Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)F)c1 Show InChI InChI=1S/C20H17F3N2O4/c1-27-14-4-2-3-13(7-14)10-25-19(26)15(18(24-25)20(21,22)23)8-12-5-6-16-17(9-12)29-11-28-16/h2-7,9,24H,8,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 1351-5 (2000) BindingDB Entry DOI: 10.7270/Q2ZK5FW3
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