Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 477.5 BDBM50362111

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))	BDBM50362111 (CHEMBL1940513) Show SMILES Cc1cccc(CN(C(=O)c2ccc(o2)-c2ccc(cc2)C#N)c2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C29H27N5O2/c1-21-3-2-4-24(32-21)20-34(26-11-9-25(10-12-26)33-17-15-31-16-18-33)29(35)28-14-13-27(36-28)23-7-5-22(19-30)6-8-23/h2-14,31H,15-18,20H2,1H3	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	79	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MK2				Bioorg Med Chem Lett 22: 65-70 (2011) Article DOI: 10.1016/j.bmcl.2011.11.074 BindingDB Entry DOI: 10.7270/Q2R78FNS
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