Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity mitogen-activated protein kinase kinase 1' and Ligand = 'BDBM50094467'   

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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50094467 (CHEMBL3590124) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1 |r,wU:3.2,wD:6.9,(-7.99,-2.79,;-8,-1.56,;-9.07,-.95,;-6.67,-.78,;-6.67,.76,;-5.34,1.53,;-4,.77,;-4,-.77,;-5.33,-1.55,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-2.68,-6.15,;-1.34,-5.39,;-.01,-6.17,;-.02,-7.71,;-1.09,-8.32,;1.31,-8.49,;1.3,-9.72,;-1.33,-.77,)| Show InChI InChI=1S/C21H27ClN6O/c1-4-19(29)25-17-7-5-6-8-18(17)26-20-16(22)13-23-21(27-20)24-14-9-11-15(12-10-14)28(2)3/h4-8,13-15H,1,9-12H2,2-3H3,(H,25,29)(H2,23,24,26,27)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...				J Med Chem 58: 4790-801 (2015) Article DOI: 10.1021/acs.jmedchem.5b00466 BindingDB Entry DOI: 10.7270/Q2V989SJ
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