BDBM50174693 CHEMBL200395::N-[5-(7-diethylamino-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-1-ylamino)-pyrimidin-2-yl]-benzamide

SMILES: CCN(CC)c1ccc2CNc3c(Nc4cnc(NC(=O)c5ccccc5)nc4)ncnc3Oc2c1

InChI Key: InChIKey=KWGJZOFZKMYQLL-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 = 50174693   

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))	BDBM50174693 (CHEMBL200395 | N-[5-(7-diethylamino-10,11-dihydro-...) Show SMILES CCN(CC)c1ccc2CNc3c(Nc4cnc(NC(=O)c5ccccc5)nc4)ncnc3Oc2c1 Show InChI InChI=1S/C26H26N8O2/c1-3-34(4-2)20-11-10-18-13-27-22-23(30-16-31-25(22)36-21(18)12-20)32-19-14-28-26(29-15-19)33-24(35)17-8-6-5-7-9-17/h5-12,14-16,27H,3-4,13H2,1-2H3,(H,30,31,32)(H,28,29,33,35)	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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ImClone Systems Inc Curated by ChEMBL					Assay Description Inhibitory activity against Aurora A kinase				Bioorg Med Chem Lett 15: 5474-7 (2005) Article DOI: 10.1016/j.bmcl.2005.08.098 BindingDB Entry DOI: 10.7270/Q2S46RGS
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