BDBM50259483 3-{[1-(3-Hydroxyphenyl)ethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione::CHEMBL467532

SMILES: CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1

InChI Key: InChIKey=CYMBWEFLCHYQDR-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 = 50259483   

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))	BDBM50259483 (3-{[1-(3-Hydroxyphenyl)ethyl]amino}-4-(pyridin-4-y...) Show SMILES CC(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1 Show InChI InChI=1S/C17H15N3O3/c1-10(11-3-2-4-13(21)9-11)19-14-15(17(23)16(14)22)20-12-5-7-18-8-6-12/h2-10,19,21H,1H3,(H,18,20)	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	380	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)