BDBM50181538 2-[({2-[(7-{3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1,3-thiazol-5-yl}acetyl)amino]benzamide::CHEMBL203039

SMILES: COc1cc2c(Nc3ncc(CC(=O)Nc4ccccc4C(N)=O)s3)ncnc2cc1OCCCN1CCC[C@H]1CO

InChI Key: InChIKey=WCRZKNCQZBPXIT-SFHVURJKSA-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 = 50181538   

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))	BDBM50181538 (2-[({2-[(7-{3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-...) Show SMILES COc1cc2c(Nc3ncc(CC(=O)Nc4ccccc4C(N)=O)s3)ncnc2cc1OCCCN1CCC[C@H]1CO Show InChI InChI=1S/C29H33N7O5S/c1-40-24-13-21-23(14-25(24)41-11-5-10-36-9-4-6-18(36)16-37)32-17-33-28(21)35-29-31-15-19(42-29)12-26(38)34-22-8-3-2-7-20(22)27(30)39/h2-3,7-8,13-15,17-18,37H,4-6,9-12,16H2,1H3,(H2,30,39)(H,34,38)(H,31,32,33,35)/t18-/m0/s1	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	452	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