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 = 'BDBM50134961'   

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))	BDBM50134961 (CHEMBL3746142) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccccc1NS(N)(=O)=O Show InChI InChI=1S/C19H15F2IN4O4S/c20-10-7-15(25-13-6-5-11(22)9-12(13)21)18(19(23)27)17(8-10)30-16-4-2-1-3-14(16)26-31(24,28)29/h1-9,25-26H,(H2,23,27)(H2,24,28,29)	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	81	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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