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 = 'BDBM50420699'   

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))	BDBM50420699 (CHEMBL2087083) Show SMILES OCCCNC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F Show InChI InChI=1S/C17H16FIN4O2/c18-13-8-10(19)2-4-15(13)22-16-11(17(25)20-6-1-7-24)3-5-14-12(16)9-21-23-14/h2-5,8-9,22,24H,1,6-7H2,(H,20,25)(H,21,23)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of MEK1-mediated ERK1 phosphorylation after 30 mins by HTRF assay				J Med Chem 55: 4594-604 (2012) Article DOI: 10.1021/jm2017094 BindingDB Entry DOI: 10.7270/Q2BP043M
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