BDBM50174700 CHEMBL199950::N-[5-(7,8-dimethoxy-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-1-ylamino)-pyrimidin-2-yl]-4-methyl-benzamide

SMILES: COc1cc2CNc3c(Nc4cnc(NC(=O)c5ccc(C)cc5)nc4)ncnc3Oc2cc1OC

InChI Key: InChIKey=ZPAZKHJBFRESLQ-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 = 50174700   

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))	BDBM50174700 (CHEMBL199950 | N-[5-(7,8-dimethoxy-10,11-dihydro-5...) Show SMILES COc1cc2CNc3c(Nc4cnc(NC(=O)c5ccc(C)cc5)nc4)ncnc3Oc2cc1OC Show InChI InChI=1S/C25H23N7O4/c1-14-4-6-15(7-5-14)23(33)32-25-27-11-17(12-28-25)31-22-21-24(30-13-29-22)36-18-9-20(35-3)19(34-2)8-16(18)10-26-21/h4-9,11-13,26H,10H2,1-3H3,(H,29,30,31)(H,27,28,32,33)	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	1.20E+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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