BDBM50181544 3-fluoro-N-({2-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1,3-thiazol-5-yl}methyl)-benzenesulfonamide::CHEMBL382054

SMILES: COc1cc2c(Nc3ncc(CNS(=O)(=O)c4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1

InChI Key: InChIKey=ZJPUQUNOMKGXTC-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 = 50181544   

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))	BDBM50181544 (3-fluoro-N-({2-[(7-{3-[4-(hydroxymethyl)piperidin-...) Show SMILES COc1cc2c(Nc3ncc(CNS(=O)(=O)c4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1 Show InChI InChI=1S/C28H33FN6O5S2/c1-39-25-13-23-24(14-26(25)40-11-3-8-35-9-6-19(17-36)7-10-35)31-18-32-27(23)34-28-30-15-21(41-28)16-33-42(37,38)22-5-2-4-20(29)12-22/h2,4-5,12-15,18-19,33,36H,3,6-11,16-17H2,1H3,(H,30,31,32,34)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description In vitro inhibition constant for Aurora-A				J Med Chem 49: 955-70 (2006) Article DOI: 10.1021/jm050786h BindingDB Entry DOI: 10.7270/Q24J0FXV
					More data for this Ligand-Target Pair