Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50068691'   

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)	BDBM50068691 (CHEMBL149152 | Lithium; [6-(3,4-dimethyl-isoxazol-...) Show SMILES CC(C)Cc1ccc(cc1)-c1c(OCC([O-])=O)cccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C23H26N2O6S/c1-14(2)12-17-8-10-18(11-9-17)22-19(30-13-21(26)27)6-5-7-20(22)32(28,29)25-23-15(3)16(4)24-31-23/h5-11,14,25H,12-13H2,1-4H3,(H,26,27)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
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