BDBM50174699 CHEMBL381661::N-[5-(9-methoxy-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-1-ylamino)-pyrimidin-2-yl]-benzamide

SMILES: COc1cccc2Oc3ncnc(Nc4cnc(NC(=O)c5ccccc5)nc4)c3NCc12

InChI Key: InChIKey=YVHBZMAYDURZMQ-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 = 50174699   

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))	BDBM50174699 (CHEMBL381661 | N-[5-(9-methoxy-10,11-dihydro-5-oxa...) Show SMILES COc1cccc2Oc3ncnc(Nc4cnc(NC(=O)c5ccccc5)nc4)c3NCc12 Show InChI InChI=1S/C23H19N7O3/c1-32-17-8-5-9-18-16(17)12-24-19-20(27-13-28-22(19)33-18)29-15-10-25-23(26-11-15)30-21(31)14-6-3-2-4-7-14/h2-11,13,24H,12H2,1H3,(H,27,28,29)(H,25,26,30,31)	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	2.20E+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
					More data for this Ligand-Target Pair