Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM50334006'   

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))	BDBM50334006 (4-(6-aminonaphthalen-2-yl)-3-(2-(tetrahydro-2H-pyr...) Show SMILES Nc1ccc2cc(ccc2c1)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1 Show InChI InChI=1S/C22H22N6O2/c23-17-3-1-15-12-19(4-2-14(15)11-17)28-21(26-27-22(28)29)16-5-8-24-20(13-16)25-18-6-9-30-10-7-18/h1-5,8,11-13,18H,6-7,9-10,23H2,(H,24,25)(H,27,29)	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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