Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 8' and Ligand = 'BDBM29905'   

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
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM29905 (substituted 6-aminoquinoline-3-carbonitrile, 16) Show SMILES Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cn(nn4)-c4ccccc4)cc23)C#N)cc1Cl Show InChI InChI=1S/C25H16BrClFN7/c26-21-9-17(30-13-18-14-35(34-33-18)19-4-2-1-3-5-19)8-20-24(15(11-29)12-31-25(20)21)32-16-6-7-23(28)22(27)10-16/h1-10,12,14,30H,13H2,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	7.2	30
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues 217 and 221 of GST-MEK1 was detected by ...				Bioorg Med Chem Lett 19: 3485-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.009 BindingDB Entry DOI: 10.7270/Q2HT2MN8
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