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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 = 'BDBM50569979'   
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))
BDBM50569979
PNG
(CHEMBL4875028)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(11.87,-16.49,;13.18,-15.69,;13.14,-14.15,;11.78,-13.41,;11.74,-11.87,;13.05,-11.07,;14.4,-11.8,;14.45,-13.34,;15.8,-14.07,;17.11,-13.27,;17.07,-11.73,;18.38,-10.92,;19.74,-11.65,;21.05,-10.84,;21.01,-9.3,;22.41,-11.58,;22.45,-13.12,;23.8,-13.85,;21.14,-13.92,;21.18,-15.46,;19.87,-16.27,;19.91,-17.81,;21.26,-18.54,;22.57,-17.74,;22.53,-16.2,;21.3,-20.08,;22.66,-20.82,;22.7,-22.36,;23.97,-20.01,;23.93,-18.47,;25.24,-17.67,;26.6,-18.39,;26.64,-19.93,;25.33,-20.74,;19.78,-13.19,;18.47,-13.99,;10.39,-11.14,;9.07,-11.94,;7.71,-11.21,;7.67,-9.68,;6.32,-8.94,;8.98,-8.87,;10.34,-9.6,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human TTK using MBP as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting b...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50569979
PNG
(CHEMBL4875028)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(11.87,-16.49,;13.18,-15.69,;13.14,-14.15,;11.78,-13.41,;11.74,-11.87,;13.05,-11.07,;14.4,-11.8,;14.45,-13.34,;15.8,-14.07,;17.11,-13.27,;17.07,-11.73,;18.38,-10.92,;19.74,-11.65,;21.05,-10.84,;21.01,-9.3,;22.41,-11.58,;22.45,-13.12,;23.8,-13.85,;21.14,-13.92,;21.18,-15.46,;19.87,-16.27,;19.91,-17.81,;21.26,-18.54,;22.57,-17.74,;22.53,-16.2,;21.3,-20.08,;22.66,-20.82,;22.7,-22.36,;23.97,-20.01,;23.93,-18.47,;25.24,-17.67,;26.6,-18.39,;26.64,-19.93,;25.33,-20.74,;19.78,-13.19,;18.47,-13.99,;10.39,-11.14,;9.07,-11.94,;7.71,-11.21,;7.67,-9.68,;6.32,-8.94,;8.98,-8.87,;10.34,-9.6,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.150n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33
More data for this
Ligand-Target Pair