Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 404.4 BDBM50344712

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50344712 (2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl)-2,...) Show SMILES O=C1NCC2(CCOCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C22H20N4O4/c27-21-14-10-16(25-19(14)22(11-24-21)4-7-28-8-5-22)15-3-6-23-20(26-15)13-1-2-17-18(9-13)30-12-29-17/h1-3,6,9-10,25H,4-5,7-8,11-12H2,(H,24,27)	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	724	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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