Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50089731'   

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)	BDBM50089731 (CHEMBL3144733 | [2-(4-Benzo[1,3]dioxol-5-ylmethyl-...) Show SMILES COc1ccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)F)c(OCC(O)=O)c1 Show InChI InChI=1S/C22H19F3N2O7/c1-31-14-4-3-13(17(8-14)32-10-19(28)29)9-27-21(30)15(20(26-27)22(23,24)25)6-12-2-5-16-18(7-12)34-11-33-16/h2-5,7-8,26H,6,9-11H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+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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