Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50122714'   

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 (Homo sapiens (Human))	BDBM50122714 (2'-[(Isobutyl-methyl-amino)-methyl]-4'-oxazol-2-yl...) Show SMILES CC(C)CN(C)Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1 Show InChI InChI=1S/C26H30N4O4S/c1-17(2)15-30(5)16-21-14-20(26-27-12-13-33-26)10-11-22(21)23-8-6-7-9-24(23)35(31,32)29-25-18(3)19(4)28-34-25/h6-14,17,29H,15-16H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	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 Inhibitory activity against human endothelin B receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
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