Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM50195450'   

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 1 (Homo sapiens (Human))	BDBM50195450 (2-(4-((4,6-dioxo-2-thioxo-tetrahydropyrimidin-5(6H...) Show SMILES [#7]-[#6](=O)-[#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)cc1 Show InChI InChI=1S/C13H11N3O4S/c14-10(17)6-20-8-3-1-7(2-4-8)5-9-11(18)15-13(21)16-12(9)19/h1-5H,6H2,(H2,14,17)(H2,15,16,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to ERK2 by fluorescence quenching				Bioorg Med Chem Lett 16: 6281-7 (2006) Article DOI: 10.1016/j.bmcl.2006.09.038 BindingDB Entry DOI: 10.7270/Q2G160GV
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