BDBM50436701 CHEMBL2398653

SMILES: COc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(-c5ccccc5)c34)-c3ccccc3)cc2)cc1

InChI Key: InChIKey=QHLCNDQTYWXRMM-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 = 50436701   

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))	BDBM50436701 (CHEMBL2398653) Show SMILES COc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(-c5ccccc5)c34)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C34H29N5O3/c1-41-28-18-16-27(17-19-28)39-34(40)38-26-14-12-23(13-15-26)20-21-35-32-30-29(24-8-4-2-5-9-24)31(25-10-6-3-7-11-25)42-33(30)37-22-36-32/h2-19,22H,20-21H2,1H3,(H,35,36,37)(H2,38,39,40)	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	367	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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