BDBM50258908 3-{[(1R)-1-Phenylethyl]amino}-4-{[2-(pyrazin-2-ylamino)pyridin-4-yl]amino}cyclobut-3-ene-1,2-dione::CHEMBL525927

SMILES: C[C@@H](Nc1c(Nc2ccnc(Nc3cnccn3)c2)c(=O)c1=O)c1ccccc1

InChI Key: InChIKey=UINFNCTZTORHRM-CYBMUJFWSA-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 = 50258908   

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))	BDBM50258908 (3-{[(1R)-1-Phenylethyl]amino}-4-{[2-(pyrazin-2-yla...) Show SMILES C[C@@H](Nc1c(Nc2ccnc(Nc3cnccn3)c2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C21H18N6O2/c1-13(14-5-3-2-4-6-14)25-18-19(21(29)20(18)28)26-15-7-8-23-16(11-15)27-17-12-22-9-10-24-17/h2-13,25H,1H3,(H2,23,24,26,27)/t13-/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	1.60E+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