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 = 'BDBM50173848'   

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))	BDBM50173848 (4-(4-chlorophenylamino)-6-(2-morpholinoethylamino)...) Show SMILES Clc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1 Show InChI InChI=1S/C21H21ClN6O/c22-16-1-3-17(4-2-16)27-21-15(12-23)13-25-19-14-26-20(11-18(19)21)24-5-6-28-7-9-29-10-8-28/h1-4,11,13-14H,5-10H2,(H,24,26)(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against human Tpl2 kinase via quantification of MEK phosphorylation				Bioorg Med Chem Lett 15: 5288-92 (2005) Article DOI: 10.1016/j.bmcl.2005.08.029 BindingDB Entry DOI: 10.7270/Q2JS9Q0M
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