BDBM15983 2-{[2-(2-methylpropoxy)pyrimidin-4-yl]amino}benzoic acid::4-anilinopyrimidine 6e

SMILES: CC(C)COc1nccc(Nc2ccccc2C(O)=O)n1

InChI Key: InChIKey=AXBAFWZRRWTFJW-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 = 15983   

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
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM15983 (2-{[2-(2-methylpropoxy)pyrimidin-4-yl]amino}benzoi...) Show SMILES CC(C)COc1nccc(Nc2ccccc2C(O)=O)n1 Show InChI InChI=1S/C15H17N3O3/c1-10(2)9-21-15-16-8-7-13(18-15)17-12-6-4-3-5-11(12)14(19)20/h3-8,10H,9H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	7.2	20
Abbott Laboratories					Assay Description In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...				Bioorg Med Chem Lett 17: 668-72 (2007) Article DOI: 10.1016/j.bmcl.2006.10.093 BindingDB Entry DOI: 10.7270/Q2J964N4
					More data for this Ligand-Target Pair