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 = 'BDBM50176562'   

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))	BDBM50176562 (3-cyano-N,5-dimethyl-4-(4-phenoxyphenylamino)H-pyr...) Show SMILES CNC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1C Show InChI InChI=1S/C23H19N5O2/c1-15-20(23(29)25-2)14-28-22(15)21(16(12-24)13-26-28)27-17-8-10-19(11-9-17)30-18-6-4-3-5-7-18/h3-11,13-14,27H,1-2H3,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	397	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against MEK				Bioorg Med Chem Lett 16: 628-32 (2005) Article DOI: 10.1016/j.bmcl.2005.10.052 BindingDB Entry DOI: 10.7270/Q2J67GHT
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