BDBM50224741 6,7-dimethoxy-4-(4-(1-phenylethyl)piperazin-1-yl)quinazoline::CHEMBL236693

SMILES: COc1cc2ncnc(N3CCN(CC3)C(C)c3ccccc3)c2cc1OC

InChI Key: InChIKey=IYEYFZMBKDLGTM-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 = 50224741   

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))	BDBM50224741 (6,7-dimethoxy-4-(4-(1-phenylethyl)piperazin-1-yl)q...) Show SMILES COc1cc2ncnc(N3CCN(CC3)C(C)c3ccccc3)c2cc1OC |w:15.16| Show InChI InChI=1S/C22H26N4O2/c1-16(17-7-5-4-6-8-17)25-9-11-26(12-10-25)22-18-13-20(27-2)21(28-3)14-19(18)23-15-24-22/h4-8,13-16H,9-12H2,1-3H3	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	2.50E+4	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