BDBM31878 2,4-Bisanilinopyrimidine, 44

SMILES: Cc1cccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)c1

InChI Key: InChIKey=NMKTWNDCAXQSHD-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 = 31878   

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))	BDBM31878 (2,4-Bisanilinopyrimidine, 44) Show SMILES Cc1cccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)c1 Show InChI InChI=1S/C24H20FN5O2/c1-15-3-2-4-19(13-15)28-23(32)16-5-7-17(8-6-16)27-22-21(25)14-26-24(30-22)29-18-9-11-20(31)12-10-18/h2-14,31H,1H3,(H,28,32)(H2,26,27,29,30)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
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				3D Structure (docked)