BDBM50436702 CHEMBL2398656

SMILES: O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3occ(-c4ccccc4)c23)cc1

InChI Key: InChIKey=PZLHOMRATVSUTJ-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 = 50436702   

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))	BDBM50436702 (CHEMBL2398656) Show SMILES O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3occ(-c4ccccc4)c23)cc1 Show InChI InChI=1S/C27H23N5O2/c33-27(31-21-9-5-2-6-10-21)32-22-13-11-19(12-14-22)15-16-28-25-24-23(20-7-3-1-4-8-20)17-34-26(24)30-18-29-25/h1-14,17-18H,15-16H2,(H,28,29,30)(H2,31,32,33)	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	342	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...				J Med Chem 56: 5247-60 (2014) Article DOI: 10.1021/jm4006059 BindingDB Entry DOI: 10.7270/Q2J104K6
					More data for this Ligand-Target Pair