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 = 'BDBM50194995'   

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))	BDBM50194995 (6-((1H-imidazol-4-yl)methylamino)-4-(3-chloro-4-fl...) Show SMILES Fc1ccc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(NCc4cnc[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C27H27ClFN7O2/c28-22-10-19(2-3-23(22)29)35-27-18(13-30)14-32-24-12-26(38-7-1-4-36-5-8-37-9-6-36)25(11-21(24)27)33-16-20-15-31-17-34-20/h2-3,10-12,14-15,17,33H,1,4-9,16H2,(H,31,34)(H,32,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Tpl2 kinase by ELISA				Bioorg Med Chem Lett 16: 6067-72 (2006) Article DOI: 10.1016/j.bmcl.2006.08.102 BindingDB Entry DOI: 10.7270/Q2W958TR
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