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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein kinase TTK' and Ligand = 'BDBM50053305'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50053305
PNG
(CHEMBL3330409)
Show SMILES CCc1ccccc1C(N(C)C)C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H27N5O3S/c1-4-16-8-5-6-11-20(16)24(30(2)3)25(31)27-18-12-13-22-21(15-18)23(29-28-22)17-9-7-10-19(14-17)34(26,32)33/h5-15,24H,4H2,1-3H3,(H,27,31)(H,28,29)(H2,26,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053305
PNG
(CHEMBL3330409)
Show SMILES CCc1ccccc1C(N(C)C)C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H27N5O3S/c1-4-16-8-5-6-11-20(16)24(30(2)3)25(31)27-18-12-13-22-21(15-18)23(29-28-22)17-9-7-10-19(14-17)34(26,32)33/h5-15,24H,4H2,1-3H3,(H,27,31)(H,28,29)(H2,26,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 520n/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of TTK in human HCT116 cells assessed as phosphorylation of histone H3 at Ser10 residue after 4 hrs by immunoassay


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