Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM22043'   

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))	BDBM22043 (N-(3-nitrophenyl)-9,10-dioxo-9,10-dihydroanthracen...) Show SMILES [O-][N+](=O)c1cccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)c1 Show InChI InChI=1S/C20H12N2O6S/c23-19-15-6-1-2-7-16(15)20(24)18-11-14(8-9-17(18)19)29(27,28)21-12-4-3-5-13(10-12)22(25)26/h1-11,21H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	7.5	22
The Rockefeller University					Assay Description Kinase activity was assayed for autophosphorylation and phosphorylation of MBP with radio-labeled gamma-32P. IC50 values were calculated from binding...				J Med Chem 50: 3980-3 (2007) Article DOI: 10.1021/jm070645a BindingDB Entry DOI: 10.7270/Q2ZW1J6Z
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