Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50141463'   

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 (Homo sapiens (Human))	BDBM50141463 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-[2-(2-hydroxy...) Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(CCO)c1 Show InChI InChI=1S/C28H30N2O6/c1-15(2)29-23-9-7-20-24(17-4-8-21-22(13-17)36-14-35-21)26(28(32)33)25(27(20)30-23)19-6-5-18(34-3)12-16(19)10-11-31/h4-9,12-13,15,24-26,31H,10-11,14H2,1-3H3,(H,29,30)(H,32,33)/t24-,25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0310	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor				Bioorg Med Chem Lett 14: 1503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.008 BindingDB Entry DOI: 10.7270/Q23R0SB4
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