BDBM50436708 CHEMBL2398659

SMILES: CCCCN(CCCC)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1

InChI Key: InChIKey=QTUXGVCSDKAGGZ-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 = 50436708   

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))	BDBM50436708 (CHEMBL2398659) Show SMILES CCCCN(CCCC)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1 Show InChI InChI=1S/C37H44N6O3/c1-3-5-22-43(23-6-4-2)24-25-45-32-18-14-29(15-19-32)34-26-33-35(39-27-40-36(33)46-34)38-21-20-28-12-16-31(17-13-28)42-37(44)41-30-10-8-7-9-11-30/h7-19,26-27H,3-6,20-25H2,1-2H3,(H,38,39,40)(H2,41,42,44)	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	124	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...				J Med Chem 56: 5247-60 (2014) Article DOI: 10.1021/jm4006059 BindingDB Entry DOI: 10.7270/Q2J104K6
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