BDBM50259379 3-[(1-Methyl-1-phenylethyl)amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione::CHEMBL504830

SMILES: CC(C)(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1

InChI Key: InChIKey=PISFELLVHSVOPU-UHFFFAOYSA-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 = 50259379   

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))	BDBM50259379 (3-[(1-Methyl-1-phenylethyl)amino]-4-(pyridin-4-yla...) Show SMILES CC(C)(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 Show InChI InChI=1S/C18H17N3O2/c1-18(2,12-6-4-3-5-7-12)21-15-14(16(22)17(15)23)20-13-8-10-19-11-9-13/h3-11,21H,1-2H3,(H,19,20)	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	2.30E+3	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)