BDBM50224754 2-(4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl)-N-(thiazol-2-yl)acetamide::CHEMBL394223

SMILES: COc1cc2ncnc(N3CCN(CC(=O)Nc4nccs4)CC3)c2cc1OC

InChI Key: InChIKey=YQUKPELNLFOLEV-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 = 50224754   

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))	BDBM50224754 (2-(4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl)...) Show SMILES COc1cc2ncnc(N3CCN(CC(=O)Nc4nccs4)CC3)c2cc1OC Show InChI InChI=1S/C19H22N6O3S/c1-27-15-9-13-14(10-16(15)28-2)21-12-22-18(13)25-6-4-24(5-7-25)11-17(26)23-19-20-3-8-29-19/h3,8-10,12H,4-7,11H2,1-2H3,(H,20,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 17: 6567-71 (2007) Article DOI: 10.1016/j.bmcl.2007.09.076 BindingDB Entry DOI: 10.7270/Q27D2TVT
					More data for this Ligand-Target Pair