BDBM50198163 CHEMBL3966317

SMILES: Oc1cccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c12

InChI Key: InChIKey=ALYWIQTUVFACNP-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 = 50198163   

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))	BDBM50198163 (CHEMBL3966317) Show SMILES Oc1cccc2n(-c3nc4ccccc4[nH]3)c(=O)[nH]c12 Show InChI InChI=1S/C14H10N4O2/c19-11-7-3-6-10-12(11)17-14(20)18(10)13-15-8-4-1-2-5-9(8)16-13/h1-7,19H,(H,15,16)(H,17,20)	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	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Berne Curated by ChEMBL					Assay Description Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...				J Med Chem 59: 7188-211 (2016) Article DOI: 10.1021/acs.jmedchem.6b00709 BindingDB Entry DOI: 10.7270/Q2JM2CM5
					More data for this Ligand-Target Pair