Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'MAP kinase-activated protein kinase 2' and Ligand = 'BDBM50344730'   

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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50344730 (2'-(2'-(cyclopentylamino)-2,5'-bipyrimidin-4-yl)-5...) Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cnc(NC2CCCC2)nc1 Show InChI InChI=1S/C24H28N8O/c33-22-17-11-19(31-20(17)24(14-29-22)6-9-25-10-7-24)18-5-8-26-21(32-18)15-12-27-23(28-13-15)30-16-3-1-2-4-16/h5,8,11-13,16,25,31H,1-4,6-7,9-10,14H2,(H,29,33)(H,27,28,30)	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	n/a	n/a	1.70	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 21: 3823-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.016 BindingDB Entry DOI: 10.7270/Q2FT8MCB
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