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SMILES: CN(Cc1ccccc1)C(=O)c1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1

InChI Key: InChIKey=YOZDTSCGPYJTAB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053338   
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))		BDBM50053338
PNG
(CHEMBL3330266)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H20N4O3S/c1-26(14-15-6-3-2-4-7-15)22(27)17-10-11-20-19(13-17)21(25-24-20)16-8-5-9-18(12-16)30(23,28)29/h2-13H,14H2,1H3,(H,24,25)(H2,23,28,29)
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Article
PubMed
n/an/a 250n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay

Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair