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 = 'BDBM21914'   

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))	BDBM21914 (8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({im...) Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc5ccccn45)cc23)C#N)cc1Cl Show InChI InChI=1S/C24H15Cl2FN6/c25-19-8-15(4-5-21(19)27)32-23-14(10-28)11-31-24-18(23)7-16(9-20(24)26)29-12-17-13-30-22-3-1-2-6-33(17)22/h1-9,11,13,29H,12H2,(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	280	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 was detected by an ELISA. IC50 calculati...				J Med Chem 50: 4728-45 (2007) Article DOI: 10.1021/jm070436q BindingDB Entry DOI: 10.7270/Q2891441
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