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 = 'BDBM50176573'   

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))	BDBM50176573 (3-cyano-5-methyl-N-(2-morpholinoethyl)-4-(4-phenox...) Show SMILES Cc1c(cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C28H28N6O3/c1-20-25(28(35)30-11-12-33-13-15-36-16-14-33)19-34-27(20)26(21(17-29)18-31-34)32-22-7-9-24(10-8-22)37-23-5-3-2-4-6-23/h2-10,18-19,32H,11-16H2,1H3,(H,30,35)	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	386	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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