BDBM50198156 CHEMBL3930861

SMILES: Clc1ccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c2c1

InChI Key: InChIKey=CZBYREUJVSNUMA-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50198156   

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))	BDBM50198156 (CHEMBL3930861) Show SMILES Clc1ccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c2c1 Show InChI InChI=1S/C14H9ClN4O/c15-8-5-6-11-12(7-8)19(14(20)18-11)13-16-9-3-1-2-4-10(9)17-13/h1-7H,(H,16,17)(H,18,20)	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	2.30E+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