Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50197004'   

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))	BDBM50197004 (3-{2-[2-(2-{2-[2-(2-{2-[4-(3,5-dioxo-hexyl)-phenyl...) Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1ccno1)-c1ncco1)C(=O)CCOCCOCCOCCOCCOCCOCCOCCC(=O)Nc1ccc(CCC(=O)CC(C)=O)cc1 Show InChI InChI=1S/C50H63N5O15S/c1-38(56)35-43(57)13-9-39-7-11-42(12-8-39)53-47(58)16-20-62-23-25-64-27-29-66-31-33-68-34-32-67-30-28-65-26-24-63-21-17-49(59)55(2)37-41-36-40(50-51-19-22-69-50)10-14-44(41)45-5-3-4-6-46(45)71(60,61)54-48-15-18-52-70-48/h3-8,10-12,14-15,18-19,22,36,54H,9,13,16-17,20-21,23-35,37H2,1-2H3,(H,53,58)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
CovX Research LLC Curated by ChEMBL					Assay Description Displacement of [125I]ET1 from human ETB receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 501-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.009 BindingDB Entry DOI: 10.7270/Q2DZ07ZF
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