BDBM50198042 CHEMBL3935395

SMILES: CCN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(CC)cc1

InChI Key: InChIKey=PGVJBYGDHBVVHX-MIZVFFBBSA-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 = 50198042   

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))	BDBM50198042 (CHEMBL3935395) Show SMILES CCN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(CC)cc1 Show InChI InChI=1S/C19H19N3OS/c1-3-14-5-7-16(8-6-14)21-19-22(4-2)18(23)17(24-19)13-15-9-11-20-12-10-15/h5-13H,3-4H2,1-2H3/b17-13-,21-19-	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	380	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