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 = 'BDBM50195006'   

Target (Institution)	Ligand	Target 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))	BDBM50195006 (4-(3-chloro-4-fluorophenylamino)-6-((5-methyl-1-(2...) Show SMILES Cc1c(CNc2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)ncn1CCN1CCOCC1 Show InChI InChI=1S/C27H27ClFN7O/c1-18-26(33-17-36(18)7-6-35-8-10-37-11-9-35)16-31-20-3-5-25-22(12-20)27(19(14-30)15-32-25)34-21-2-4-24(29)23(28)13-21/h2-5,12-13,15,17,31H,6-11,16H2,1H3,(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	n/a	n/a	14	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)
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