BDBM26310 4-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-N-[3-(trifluoromethyl)phenyl]benzamide::CHEMBL461995::thieno[3,2-d]pyrimidine analogue, 5

SMILES: FC(F)(F)c1cccc(NC(=O)c2ccc(CCNc3ncnc4ccsc34)cc2)c1

InChI Key: InChIKey=JMCRLXRZTYCGFU-UHFFFAOYSA-N

Data: 2 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 26310   

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))	BDBM26310 (4-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-N-[3...) Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccc(CCNc3ncnc4ccsc34)cc2)c1 Show InChI InChI=1S/C22H17F3N4OS/c23-22(24,25)16-2-1-3-17(12-16)29-21(30)15-6-4-14(5-7-15)8-10-26-20-19-18(9-11-31-19)27-13-28-20/h1-7,9,11-13H,8,10H2,(H,29,30)(H,26,27,28)	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				J Med Chem 52: 2629-51 (2009) Checked by Author Article DOI: 10.1021/jm8012129 BindingDB Entry DOI: 10.7270/Q2B85920
					More data for this Ligand-Target Pair
Aurora Kinase A (Aurora-A) (Mus musculus (mouse))	BDBM26310 (4-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-N-[3...) Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccc(CCNc3ncnc4ccsc34)cc2)c1 Show InChI InChI=1S/C22H17F3N4OS/c23-22(24,25)16-2-1-3-17(12-16)29-21(30)15-6-4-14(5-7-15)8-10-26-20-19-18(9-11-31-19)27-13-28-20/h1-7,9,11-13H,8,10H2,(H,29,30)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.2	21
Sunesis Pharmaceuticals					Assay Description Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...				Bioorg Med Chem Lett 18: 4880-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.073 BindingDB Entry DOI: 10.7270/Q279430N
					More data for this Ligand-Target Pair