BDBM50174694 CHEMBL371937::N-[5-(7,8-dimethoxy-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-1-ylamino)-pyrimidin-2-yl]-3-fluoro-benzamide

SMILES: COc1cc2CNc3c(Nc4cnc(NC(=O)c5cccc(F)c5)nc4)ncnc3Oc2cc1OC

InChI Key: InChIKey=JGAIDCNKHFJDFV-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 = 50174694   

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))	BDBM50174694 (CHEMBL371937 | N-[5-(7,8-dimethoxy-10,11-dihydro-5...) Show SMILES COc1cc2CNc3c(Nc4cnc(NC(=O)c5cccc(F)c5)nc4)ncnc3Oc2cc1OC Show InChI InChI=1S/C24H20FN7O4/c1-34-18-7-14-9-26-20-21(29-12-30-23(20)36-17(14)8-19(18)35-2)31-16-10-27-24(28-11-16)32-22(33)13-4-3-5-15(25)6-13/h3-8,10-12,26H,9H2,1-2H3,(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	1.10E+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
					More data for this Ligand-Target Pair