BDBM50372020 CHEMBL439417

SMILES: COc1cccc(CN2Cc3c(nc4cc([nH]n4c3=O)-c3ccco3)C2=O)c1

InChI Key: InChIKey=WJGLAIIAZPVEIP-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 = 50372020   

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))	BDBM50372020 (CHEMBL439417) Show SMILES COc1cccc(CN2Cc3c(nc4cc([nH]n4c3=O)-c3ccco3)C2=O)c1 Show InChI InChI=1S/C20H16N4O4/c1-27-13-5-2-4-12(8-13)10-23-11-14-18(20(23)26)21-17-9-15(16-6-3-7-28-16)22-24(17)19(14)25/h2-9,22H,10-11H2,1H3	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	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora A kinase				Bioorg Med Chem Lett 18: 1623-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V
					More data for this Ligand-Target Pair