Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM50334007'   

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))	BDBM50334007 (4-(naphthalen-2-yl)-1-(pyridin-2-ylmethyl)-3-(2-(t...) Show SMILES O=c1n(Cc2ccccn2)nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1 Show InChI InChI=1S/C28H26N6O2/c35-28-33(19-24-7-3-4-13-29-24)32-27(34(28)25-9-8-20-5-1-2-6-21(20)17-25)22-10-14-30-26(18-22)31-23-11-15-36-16-12-23/h1-10,13-14,17-18,23H,11-12,15-16,19H2,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant ERK2 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
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