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SMILES: CCc1cccc(CC)c1CNC(=O)c1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1

InChI Key: InChIKey=REHCYJGTZODHAE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053347   
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))		BDBM50053347
PNG
(CHEMBL3330275)
Show SMILES CCc1cccc(CC)c1CNC(=O)c1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H26N4O3S/c1-3-16-7-5-8-17(4-2)22(16)15-27-25(30)19-11-12-23-21(14-19)24(29-28-23)18-9-6-10-20(13-18)33(26,31)32/h5-14H,3-4,15H2,1-2H3,(H,27,30)(H,28,29)(H2,26,31,32)
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Article
PubMed
n/an/a 80n/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