BDBM31841 2,4-Bisanilinopyrimidine, 48

SMILES: Oc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1

InChI Key: InChIKey=NTVMMWOPXWEEBI-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 = 31841   

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))	BDBM31841 (2,4-Bisanilinopyrimidine, 48) Show SMILES Oc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1 Show InChI InChI=1S/C23H18FN5O3/c24-20-13-25-23(28-17-7-11-19(31)12-8-17)29-21(20)26-15-3-1-14(2-4-15)22(32)27-16-5-9-18(30)10-6-16/h1-13,30-31H,(H,27,32)(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	13	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				3D Structure (docked)