Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 12' and Ligand = 'BDBM50059216'   

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 12 (Homo sapiens (Human))	BDBM50059216 (CHEMBL3393326) Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCOCC1 Show InChI InChI=1S/C21H25F3N6O2/c1-14(31)29-6-3-15(4-7-29)17-13-19(28-20(26-17)30-8-10-32-11-9-30)27-18-12-16(2-5-25-18)21(22,23)24/h2,5,12-13,15H,3-4,6-11H2,1H3,(H,25,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	431	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of DLK (unknown origin)				J Med Chem 58: 401-18 (2015) Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5
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