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 = 'BDBM50176561'   

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))	BDBM50176561 (CHEMBL204147 | N-(3-cyano-5-methyl-4-(4-phenoxyphe...) Show SMILES Cc1c(NS(=O)(=O)c2ccccc2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C27H21N5O3S/c1-19-25(31-36(33,34)24-10-6-3-7-11-24)18-32-27(19)26(20(16-28)17-29-32)30-21-12-14-23(15-13-21)35-22-8-4-2-5-9-22/h2-15,17-18,30-31H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.46E+4	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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