Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 9' and Ligand = 'BDBM50128294'   

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 9 (Homo sapiens (Human))	BDBM50128294 (CHEMBL3629013) Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1 Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of MLK1 (unknown origin) by FRET method				J Med Chem 58: 8182-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b01072 BindingDB Entry DOI: 10.7270/Q27D2WZ0
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