Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM15641'   

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))	BDBM15641 (4-(4-(3-Chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(3-flu...) Show SMILES OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1cccc(F)c1 Show InChI InChI=1S/C22H18ClFN4O2/c23-16-5-1-3-13(7-16)18-11-26-28-21(18)15-9-19(25-10-15)22(30)27-20(12-29)14-4-2-6-17(24)8-14/h1-11,20,25,29H,12H2,(H,26,28)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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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