Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 3' and Ligand = 'BDBM50231967'   

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
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM50231967 (CHEMBL4095456) Show SMILES CNc1cc(Oc2ccc(NC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2F)ncn1 Show InChI InChI=1S/C19H14ClF4N5OS/c1-25-16-8-17(27-9-26-16)30-15-5-3-11(7-14(15)21)29-18(31)28-10-2-4-13(20)12(6-10)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,31)	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	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay				Eur J Med Chem 127: 997-1011 (2017) Article DOI: 10.1016/j.ejmech.2016.11.009 BindingDB Entry DOI: 10.7270/Q2JH3PDJ
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