Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 445.4 BDBM50127680

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))	BDBM50127680 (CHEMBL3629155) Show SMILES CCCc1cnc(N)c(CN\C(Nc2ccc3[nH]c(=O)oc3c2)=N/C(=O)c2ccccc2)n1 Show InChI InChI=1S/C23H23N7O3/c1-2-6-16-12-25-20(24)18(27-16)13-26-22(30-21(31)14-7-4-3-5-8-14)28-15-9-10-17-19(11-15)33-23(32)29-17/h3-5,7-12H,2,6,13H2,1H3,(H2,24,25)(H,29,32)(H2,26,28,30,31)	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	8.00E+3	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