BDBM50174689 CHEMBL439512::N-[5-(7,8-dimethoxy-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-1-ylamino)-pyrimidin-2-yl]-benzamide

SMILES: COc1cc2CNc3c(Nc4cnc(NC(=O)c5ccccc5)nc4)ncnc3Oc2cc1OC

InChI Key: InChIKey=ZCVIYQRNLPSYMF-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 = 50174689   

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))	BDBM50174689 (CHEMBL439512 | N-[5-(7,8-dimethoxy-10,11-dihydro-5...) Show SMILES COc1cc2CNc3c(Nc4cnc(NC(=O)c5ccccc5)nc4)ncnc3Oc2cc1OC Show InChI InChI=1S/C24H21N7O4/c1-33-18-8-15-10-25-20-21(28-13-29-23(20)35-17(15)9-19(18)34-2)30-16-11-26-24(27-12-16)31-22(32)14-6-4-3-5-7-14/h3-9,11-13,25H,10H2,1-2H3,(H,28,29,30)(H,26,27,31,32)	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	470	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
					More data for this Ligand-Target Pair