Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM15619'   

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))	BDBM15619 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-((1-ethyl...) Show SMILES CCN1CCCC1CNC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1 Show InChI InChI=1S/C21H24ClN5O/c1-2-27-8-4-7-17(27)12-24-21(28)19-10-15(11-23-19)20-18(13-25-26-20)14-5-3-6-16(22)9-14/h3,5-6,9-11,13,17,23H,2,4,7-8,12H2,1H3,(H,24,28)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	>-29.0	n/a	n/a	n/a	n/a	n/a	7.5	30
Vertex					Assay Description A coupled spectrophotometric assay was used in which ADP generated by ERK2 was converted to ATP by pyruvate kinase with the production of pyruvate fr...				J Med Chem 50: 1280-7 (2007) Article DOI: 10.1021/jm061381f BindingDB Entry DOI: 10.7270/Q2BR8QFV
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