BDBM50198161 CHEMBL3915641

SMILES: CCc1ccc(cc1)\N=C1/SC2(CC2c2ccnc(N)c2)C(=O)N1C

InChI Key: InChIKey=YGRNWIZRVOUDSG-PYCFMQQDSA-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 = 50198161   

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))	BDBM50198161 (CHEMBL3915641) Show SMILES CCc1ccc(cc1)\N=C1/SC2(CC2c2ccnc(N)c2)C(=O)N1C Show InChI InChI=1S/C19H20N4OS/c1-3-12-4-6-14(7-5-12)22-18-23(2)17(24)19(25-18)11-15(19)13-8-9-21-16(20)10-13/h4-10,15H,3,11H2,1-2H3,(H2,20,21)/b22-18-	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	7.60E+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