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SMILES: CCOc1ccc2[nH]nc(-c3cccc(NC(C)=O)c3)c2c1

InChI Key: InChIKey=GELSCYBDXQYAMW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433914   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433914
PNG
(CHEMBL2380575)
Show SMILES CCOc1ccc2[nH]nc(-c3cccc(NC(C)=O)c3)c2c1
Show InChI InChI=1S/C17H17N3O2/c1-3-22-14-7-8-16-15(10-14)17(20-19-16)12-5-4-6-13(9-12)18-11(2)21/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20)
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Similars
Article
PubMed
n/an/a 116n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair