BDBM50259565 3-{Methyl[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione::CHEMBL467912

SMILES: C[C@@H](N(C)c1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1

InChI Key: InChIKey=MGQAPAVFPDBGHB-GFCCVEGCSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50259565   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50259565 (3-{Methyl[(1R)-1-phenylethyl]amino}-4-(pyridin-4-y...) Show SMILES C[C@@H](N(C)c1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C18H17N3O2/c1-12(13-6-4-3-5-7-13)21(2)16-15(17(22)18(16)23)20-14-8-10-19-11-9-14/h3-12H,1-2H3,(H,19,20)/t12-/m1/s1	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant MK2				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair				3D Structure (docked)