BDBM50174691 3-fluoro-N-[5-(8-methoxy-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-1-ylamino)-pyrimidin-2-yl]-benzamide::CHEMBL381649

SMILES: COc1ccc2Oc3ncnc(Nc4cnc(NC(=O)c5cccc(F)c5)nc4)c3NCc2c1

InChI Key: InChIKey=NFZZVHIHSPLINV-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 = 50174691   

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))	BDBM50174691 (3-fluoro-N-[5-(8-methoxy-10,11-dihydro-5-oxa-2,4,1...) Show SMILES COc1ccc2Oc3ncnc(Nc4cnc(NC(=O)c5cccc(F)c5)nc4)c3NCc2c1 Show InChI InChI=1S/C23H18FN7O3/c1-33-17-5-6-18-14(8-17)9-25-19-20(28-12-29-22(19)34-18)30-16-10-26-23(27-11-16)31-21(32)13-3-2-4-15(24)7-13/h2-8,10-12,25H,9H2,1H3,(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	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