Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 419.4 BDBM50127673

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))	BDBM50127673 (CHEMBL3629328) Show SMILES CCCc1cnc(N)c(CNC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)n1 Show InChI InChI=1S/C22H25N7O2/c1-2-6-18-13-24-20(23)19(26-18)14-25-21(30)27-16-9-11-17(12-10-16)29-22(31)28-15-7-4-3-5-8-15/h3-5,7-13H,2,6,14H2,1H3,(H2,23,24)(H2,25,27,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) by scintillation proximity assay				Bioorg Med Chem Lett 25: 5402-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.016 BindingDB Entry DOI: 10.7270/Q28C9Z2S
					More data for this Ligand-Target Pair