BDBM50436698 CHEMBL2398645

SMILES: O=C(Nc1ccccc1)Nc1cccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)c1

InChI Key: InChIKey=VGXRCDITQXUDTO-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 = 50436698   

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))	BDBM50436698 (CHEMBL2398645) Show SMILES O=C(Nc1ccccc1)Nc1cccc(CCNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)c1 Show InChI InChI=1S/C33H27N5O2/c39-33(37-26-16-8-3-9-17-26)38-27-18-10-11-23(21-27)19-20-34-31-29-28(24-12-4-1-5-13-24)30(25-14-6-2-7-15-25)40-32(29)36-22-35-31/h1-18,21-22H,19-20H2,(H,34,35,36)(H2,37,38,39)	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	>1.00E+4	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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