BDBM31847 2,4-Bisanilinopyrimidine, 54

SMILES: Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4)cc3)n2)cc1

InChI Key: InChIKey=ZNEQMBVHPXPAGK-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 31847   

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
Aurora kinase A (Homo sapiens (Human))	BDBM31847 (2,4-Bisanilinopyrimidine, 54) Show SMILES Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4)cc3)n2)cc1 Show InChI InChI=1S/C23H18FN5O2/c24-20-14-25-23(28-18-10-12-19(30)13-11-18)29-21(20)26-16-6-8-17(9-7-16)27-22(31)15-4-2-1-3-5-15/h1-14,30H,(H,27,31)(H2,25,26,28,29)	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	18	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 52: 3300-7 (2009) Article DOI: 10.1021/jm9000314 BindingDB Entry DOI: 10.7270/Q2M90706
					More data for this Ligand-Target Pair