Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50080609'   

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))	BDBM50080609 ((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dibromo...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(Br)cccc1Br)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C27H24Br2N2O6/c1-35-17-8-5-15(6-9-17)26-24(27(33)34)18(16-7-10-21-22(11-16)37-14-36-21)12-31(26)13-23(32)30-25-19(28)3-2-4-20(25)29/h2-11,18,24,26H,12-14H2,1H3,(H,30,32)(H,33,34)/t18-,24-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Endothelin B receptor (hET -B)				J Med Chem 42: 3668-78 (1999) Article DOI: 10.1021/jm990170q BindingDB Entry DOI: 10.7270/Q24T6HK7
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