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 = 'BDBM50134978'   

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))	BDBM50134978 (CHEMBL3747294) Show SMILES CN(C)S(=O)(=O)Nc1cccc(Oc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H18F3IN4O4S/c1-29(2)34(31,32)28-12-4-3-5-13(9-12)33-17-10-15(23)19(24)20(18(17)21(26)30)27-16-7-6-11(25)8-14(16)22/h3-10,27-28H,1-2H3,(H2,26,30)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
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