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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50013819   
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))		BDBM50569989
PNG
(CHEMBL4870223)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)c(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(17.33,-15.64,;18.66,-14.88,;18.67,-13.34,;17.34,-12.56,;17.35,-11.02,;18.7,-10.26,;20.03,-11.04,;20.01,-12.58,;21.34,-13.36,;22.68,-12.59,;22.69,-11.05,;24.03,-10.3,;25.36,-11.08,;26.7,-10.32,;28.03,-11.1,;29.37,-10.33,;28.01,-12.64,;29.34,-13.41,;26.67,-13.4,;26.67,-14.94,;25.33,-15.7,;25.31,-17.24,;26.65,-18.02,;27.98,-17.26,;27.99,-15.72,;26.63,-19.56,;27.96,-20.34,;27.95,-21.88,;29.29,-19.57,;29.47,-18.05,;30.98,-17.74,;31.74,-19.07,;30.7,-20.21,;25.35,-12.62,;24.01,-13.38,;16.03,-10.24,;14.69,-11,;13.36,-10.22,;13.37,-8.68,;12.04,-7.9,;14.72,-7.92,;16.04,-8.7,)|
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n/an/a 11n/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))		BDBM50569991
PNG
(CHEMBL4877547)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(CC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12 |r,wU:22.24,wD:20.21,(19.38,-17.1,;18.9,-15.63,;17.39,-15.32,;16.91,-13.85,;17.93,-12.71,;19.43,-13.02,;19.92,-14.48,;21.43,-14.8,;22.45,-13.64,;21.92,-16.26,;23.42,-16.57,;24.58,-17.58,;24.89,-16.08,;15.4,-13.54,;14.77,-12.14,;13.24,-12.31,;12.93,-13.81,;11.6,-14.58,;10.27,-13.82,;8.94,-14.59,;8.94,-16.13,;7.85,-17.22,;8.94,-18.3,;8.17,-19.63,;9.7,-19.63,;10.03,-17.22,;11.6,-16.13,;12.94,-16.9,;12.93,-18.44,;14.27,-19.21,;14.26,-20.75,;15.59,-21.52,;16.93,-20.75,;16.92,-19.2,;15.59,-18.44,;14.27,-16.13,;14.27,-14.58,)|
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n/an/a 17n/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))		BDBM50569978
PNG
(CHEMBL4845775)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(15.45,-18.34,;16.79,-17.58,;16.81,-16.04,;15.48,-15.26,;15.5,-13.72,;16.84,-12.96,;18.16,-13.75,;18.15,-15.29,;19.47,-16.07,;20.82,-15.31,;20.83,-13.77,;22.17,-13.02,;23.5,-13.8,;24.84,-13.04,;24.85,-11.5,;26.16,-13.83,;26.15,-15.37,;27.47,-16.15,;24.81,-16.12,;24.79,-17.66,;23.46,-18.42,;23.44,-19.96,;24.77,-20.74,;26.11,-19.99,;26.12,-18.45,;24.75,-22.28,;26.08,-23.07,;26.06,-24.61,;27.42,-22.31,;27.6,-20.78,;29.11,-20.47,;29.86,-21.82,;28.82,-22.94,;23.48,-15.34,;22.14,-16.09,;14.17,-12.94,;12.83,-13.7,;11.5,-12.92,;11.51,-11.38,;10.19,-10.59,;12.86,-10.62,;14.19,-11.4,)|
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n/an/a 19n/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))		BDBM50569990
PNG
(CHEMBL4858486)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)c(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(16.39,-16.35,;17.73,-15.58,;17.73,-14.04,;16.41,-13.27,;16.41,-11.73,;17.75,-10.96,;19.08,-11.74,;19.08,-13.28,;20.41,-14.06,;21.74,-13.29,;21.75,-11.75,;23.08,-10.99,;24.42,-11.77,;25.76,-11.01,;27.09,-11.78,;28.42,-11.03,;27.08,-13.32,;28.4,-14.11,;25.74,-14.09,;25.73,-15.63,;24.39,-16.39,;24.38,-17.93,;25.71,-18.71,;27.05,-17.94,;27.06,-16.4,;25.7,-20.25,;27.03,-21.02,;27.02,-22.56,;28.37,-20.27,;28.38,-18.73,;29.71,-17.96,;31.05,-18.74,;31.03,-20.28,;29.7,-21.04,;24.41,-13.31,;23.07,-14.07,;15.08,-10.95,;13.75,-11.71,;12.42,-10.93,;12.43,-9.39,;11.1,-8.62,;13.77,-8.63,;15.1,-9.41,)|
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n/an/a 20n/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,)|
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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))		BDBM50569986
PNG
(CHEMBL4853433)
Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(cc1=O)C1CC1 |r,wU:8.11,5.4,(31.93,-16.84,;31.94,-18.38,;30.61,-19.15,;30.62,-20.69,;29.27,-18.4,;29.26,-16.86,;27.92,-16.09,;27.91,-14.55,;29.24,-13.78,;30.58,-14.53,;30.59,-16.07,;29.23,-12.24,;27.89,-11.47,;26.56,-12.25,;25.23,-11.49,;23.9,-12.26,;22.56,-11.51,;22.55,-9.97,;21.21,-9.2,;19.88,-9.99,;19.89,-11.53,;21.23,-12.28,;21.24,-13.82,;19.91,-14.61,;18.54,-9.22,;17.21,-10,;15.87,-9.24,;15.86,-7.7,;14.53,-6.93,;17.19,-6.92,;18.53,-7.68,;25.21,-9.95,;26.55,-9.17,;27.88,-9.93,;29.21,-9.16,;30.55,-9.91,;30.56,-11.45,;31.9,-12.22,;29.21,-7.61,;28.42,-6.28,;29.96,-6.27,)|
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n/an/a 50n/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))		BDBM50569969
PNG
(CHEMBL4857210)
Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(C)cc1=O |r,wU:8.11,5.4,(32.47,-21.95,;32.48,-23.49,;31.15,-24.27,;31.17,-25.81,;29.81,-23.52,;29.8,-21.98,;28.46,-21.22,;28.44,-19.68,;29.77,-18.9,;31.11,-19.65,;31.12,-21.19,;29.76,-17.36,;28.42,-16.6,;27.09,-17.38,;25.75,-16.61,;24.42,-17.4,;23.08,-16.64,;23.07,-15.1,;21.73,-14.34,;20.4,-15.12,;20.42,-16.66,;21.75,-17.42,;21.77,-18.96,;20.44,-19.74,;19.06,-14.37,;17.73,-15.15,;16.39,-14.39,;16.38,-12.85,;15.04,-12.09,;17.71,-12.07,;19.04,-12.83,;25.73,-15.07,;27.06,-14.29,;28.41,-15.06,;29.73,-14.28,;29.72,-12.74,;31.07,-15.03,;31.09,-16.57,;32.42,-17.33,)|
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n/an/an/a 0.710n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569970
PNG
(CHEMBL4850608)
Show SMILES CCC(=O)N[C@H]1CC[C@@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(C)cc1=O |r,wU:5.4,wD:8.11,(29.6,-20.19,;29.58,-21.73,;28.24,-22.49,;28.23,-24.03,;26.92,-21.71,;26.93,-20.17,;25.6,-19.39,;25.62,-17.85,;26.96,-17.09,;28.28,-17.87,;28.27,-19.41,;26.97,-15.55,;25.64,-14.77,;24.3,-15.52,;22.97,-14.74,;21.63,-15.5,;20.3,-14.72,;20.32,-13.18,;18.99,-12.39,;17.65,-13.15,;17.64,-14.69,;18.96,-15.48,;18.95,-17.02,;17.61,-17.77,;16.33,-12.37,;14.98,-13.13,;13.66,-12.35,;13.67,-10.81,;12.35,-10.02,;15.01,-10.05,;16.34,-10.83,;22.99,-13.2,;24.33,-12.44,;25.66,-13.22,;27,-12.46,;27.01,-10.92,;28.32,-13.25,;28.31,-14.79,;29.64,-15.57,)|
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n/an/an/a 2.80n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569971
PNG
(CHEMBL4869142)
Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3C)N3CCN(C)CC3)ncc2c(C)cc1=O |r,wU:8.11,5.4,(27.61,-17.45,;27.62,-18.99,;26.28,-19.75,;26.28,-21.29,;24.94,-18.99,;24.94,-17.45,;23.6,-16.69,;23.6,-15.15,;24.93,-14.37,;26.27,-15.13,;26.27,-16.67,;24.93,-12.83,;23.59,-12.07,;22.25,-12.84,;20.92,-12.08,;19.59,-12.85,;18.26,-12.08,;18.25,-10.54,;16.92,-9.78,;15.58,-10.56,;15.58,-12.1,;16.92,-12.86,;16.92,-14.4,;14.24,-9.79,;12.91,-10.56,;11.58,-9.8,;11.57,-8.26,;10.24,-7.5,;12.9,-7.48,;14.23,-8.25,;20.91,-10.54,;22.25,-9.76,;23.59,-10.53,;24.92,-9.75,;24.91,-8.21,;26.25,-10.51,;26.25,-12.05,;27.59,-12.82,)|
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n/an/an/a 0.630n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569972
PNG
(CHEMBL4853778)
Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)ncc2c(C)cc1=O |r,wU:8.11,5.4,(29.71,-18.42,;29.7,-19.96,;28.37,-20.73,;28.37,-22.27,;27.04,-19.96,;27.04,-18.42,;25.71,-17.65,;25.71,-16.11,;27.04,-15.34,;28.38,-16.11,;28.37,-17.65,;27.05,-13.8,;25.71,-13.03,;24.38,-13.79,;23.05,-13.02,;21.71,-13.79,;20.38,-13.01,;20.38,-11.47,;19.05,-10.71,;17.71,-11.47,;16.38,-10.7,;15.05,-11.47,;13.71,-10.69,;13.72,-9.15,;12.38,-8.38,;15.05,-8.39,;16.38,-9.16,;17.71,-13.01,;16.38,-13.78,;15.05,-13.01,;19.04,-13.79,;23.05,-11.48,;24.38,-10.71,;25.72,-11.49,;27.05,-10.72,;27.06,-9.18,;28.38,-11.49,;28.38,-13.03,;29.71,-13.8,)|
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n/an/an/a 4.20n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569973
PNG
(CHEMBL4863607)
Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(N4CCN(C)CC4)c(C)c3)ncc2c(C)cc1=O |r,wU:8.11,5.4,(45.43,-27.67,;45.45,-29.21,;44.12,-30,;44.15,-31.54,;42.78,-29.24,;42.76,-27.7,;41.42,-26.95,;41.4,-25.41,;42.72,-24.62,;44.06,-25.38,;44.08,-26.92,;42.7,-23.08,;41.36,-22.33,;40.04,-23.12,;38.69,-22.37,;37.36,-23.15,;36.02,-22.4,;36.01,-20.86,;34.66,-20.11,;33.33,-20.9,;31.99,-20.15,;30.67,-20.93,;29.32,-20.18,;29.3,-18.64,;27.96,-17.89,;30.63,-17.86,;31.97,-18.61,;33.36,-22.44,;32.04,-23.23,;34.7,-23.19,;38.67,-20.83,;39.99,-20.04,;41.33,-20.79,;42.66,-20,;42.64,-18.46,;44.01,-20.76,;44.03,-22.3,;45.37,-23.05,)|
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n/an/an/a 3.90n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569974
PNG
(CHEMBL4861308)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(C)=O)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(20.4,-19.86,;21.73,-19.08,;21.73,-17.54,;20.39,-16.78,;20.38,-15.24,;21.71,-14.46,;23.05,-15.23,;23.06,-16.77,;24.39,-17.52,;25.72,-16.75,;25.72,-15.21,;27.05,-14.43,;28.38,-15.2,;29.71,-14.42,;29.71,-12.88,;31.05,-15.18,;31.06,-16.72,;32.4,-17.48,;29.73,-17.5,;29.74,-19.04,;28.41,-19.82,;28.42,-21.36,;29.75,-22.12,;31.08,-21.34,;31.08,-19.8,;29.77,-23.66,;31.1,-24.42,;31.11,-25.96,;32.43,-23.64,;28.39,-16.74,;27.06,-17.51,;19.04,-14.47,;17.71,-15.25,;16.38,-14.49,;16.37,-12.95,;15.03,-12.19,;17.7,-12.17,;19.04,-12.93,)|
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n/an/an/a 0.720n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569975
PNG
(CHEMBL4860430)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(19.69,-19.78,;21.01,-18.98,;20.99,-17.44,;19.64,-16.7,;19.61,-15.16,;20.93,-14.36,;22.27,-15.11,;22.31,-16.65,;23.65,-17.39,;24.97,-16.59,;24.94,-15.05,;26.26,-14.26,;27.61,-15.01,;28.93,-14.21,;28.9,-12.67,;30.28,-14.96,;30.31,-16.5,;31.65,-17.25,;28.99,-17.29,;29.01,-18.83,;27.7,-19.63,;27.73,-21.17,;29.07,-21.91,;30.39,-21.12,;30.36,-19.58,;29.09,-23.46,;30.44,-24.2,;30.47,-25.74,;31.77,-23.41,;32.51,-22.06,;33.31,-23.38,;27.64,-16.55,;26.32,-17.34,;18.26,-14.41,;16.94,-15.21,;15.59,-14.46,;15.57,-12.92,;14.22,-12.18,;16.88,-12.13,;18.23,-12.87,)|
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n/an/an/a 0.410n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569976
PNG
(CHEMBL4867504)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C(C)C)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(17.49,-16.86,;18.83,-16.09,;18.83,-14.55,;17.5,-13.78,;17.5,-12.24,;18.84,-11.47,;20.17,-12.25,;20.17,-13.79,;21.5,-14.55,;22.83,-13.79,;22.84,-12.25,;24.18,-11.49,;25.5,-12.26,;26.84,-11.49,;26.85,-9.95,;28.17,-12.27,;28.17,-13.81,;29.5,-14.58,;26.83,-14.57,;26.83,-16.11,;25.49,-16.88,;25.48,-18.42,;26.82,-19.19,;28.16,-18.43,;28.16,-16.89,;26.82,-20.73,;28.14,-21.51,;28.14,-23.05,;29.48,-20.74,;29.49,-19.2,;30.81,-21.52,;25.5,-13.8,;24.16,-14.57,;16.17,-11.46,;14.84,-12.23,;13.5,-11.46,;13.51,-9.92,;12.18,-9.14,;14.84,-9.15,;16.17,-9.92,)|
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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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569977
PNG
(CHEMBL4846040)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C(C)(C)C)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(18.61,-17.97,;19.95,-17.23,;19.98,-15.69,;18.66,-14.89,;18.68,-13.35,;20.03,-12.61,;21.35,-13.4,;21.33,-14.94,;22.64,-15.73,;23.99,-14.99,;24.02,-13.45,;25.36,-12.69,;26.69,-13.49,;28.03,-12.74,;28.06,-11.2,;29.35,-13.53,;29.33,-15.07,;30.65,-15.86,;27.98,-15.82,;27.95,-17.36,;26.61,-18.11,;26.59,-19.65,;27.9,-20.44,;29.25,-19.69,;29.27,-18.15,;27.88,-21.98,;29.2,-22.77,;29.17,-24.31,;30.54,-22.02,;29.76,-20.68,;31.31,-20.68,;31.87,-22.81,;26.66,-15.03,;25.32,-15.77,;17.36,-12.56,;16.01,-13.31,;14.7,-12.52,;14.72,-10.98,;13.4,-10.19,;16.07,-10.23,;17.39,-11.02,)|
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n/an/an/a 0.200n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569978
PNG
(CHEMBL4845775)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(15.45,-18.34,;16.79,-17.58,;16.81,-16.04,;15.48,-15.26,;15.5,-13.72,;16.84,-12.96,;18.16,-13.75,;18.15,-15.29,;19.47,-16.07,;20.82,-15.31,;20.83,-13.77,;22.17,-13.02,;23.5,-13.8,;24.84,-13.04,;24.85,-11.5,;26.16,-13.83,;26.15,-15.37,;27.47,-16.15,;24.81,-16.12,;24.79,-17.66,;23.46,-18.42,;23.44,-19.96,;24.77,-20.74,;26.11,-19.99,;26.12,-18.45,;24.75,-22.28,;26.08,-23.07,;26.06,-24.61,;27.42,-22.31,;27.6,-20.78,;29.11,-20.47,;29.86,-21.82,;28.82,-22.94,;23.48,-15.34,;22.14,-16.09,;14.17,-12.94,;12.83,-13.7,;11.5,-12.92,;11.51,-11.38,;10.19,-10.59,;12.86,-10.62,;14.19,-11.4,)|
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n/an/an/a 0.120n/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
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,)|
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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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569980
PNG
(CHEMBL4873395)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C34CC5CC(CC(C5)C3)C4)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,TLB:26:28:31:35.33.34,THB:33:32:29:35.34.36,33:34:31.32.37:29,36:34:31:37.28.29,36:28:31:35.33.34,(12.65,-13.19,;13.97,-12.39,;13.95,-10.85,;12.6,-10.1,;12.59,-8.56,;13.9,-7.77,;15.25,-8.52,;15.27,-10.06,;16.61,-10.81,;17.93,-10.02,;17.91,-8.48,;19.22,-7.69,;20.57,-8.45,;21.9,-7.65,;21.87,-6.11,;23.25,-8.41,;23.27,-9.95,;24.61,-10.7,;21.94,-10.74,;21.97,-12.28,;20.64,-13.07,;20.66,-14.62,;22.01,-15.37,;23.33,-14.58,;23.31,-13.03,;22.03,-16.91,;23.38,-17.66,;24.7,-16.87,;23.4,-19.2,;22.12,-19.66,;22.12,-21.06,;20.99,-22.28,;22.42,-21.88,;23.75,-22.42,;24.71,-21.21,;23.39,-21.54,;24.73,-19.75,;22.41,-20.37,;20.6,-9.99,;19.27,-10.78,;11.23,-7.8,;9.91,-8.59,;8.56,-7.85,;8.54,-6.3,;7.19,-5.55,;9.86,-5.51,;11.22,-6.27,)|
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n/an/an/a 0.560n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569981
PNG
(CHEMBL4868353)
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,(27.01,-14.68,;28.34,-13.91,;28.33,-12.37,;27,-11.6,;26.99,-10.06,;28.33,-9.29,;29.66,-10.05,;29.67,-11.59,;31.01,-12.35,;32.33,-11.58,;32.33,-10.04,;33.66,-9.27,;35,-10.03,;36.33,-9.26,;36.32,-7.72,;37.66,-10.02,;37.67,-11.56,;39,-12.33,;36.34,-12.34,;36.34,-13.88,;35.01,-14.65,;35.02,-16.19,;36.35,-16.96,;37.69,-16.18,;37.68,-14.64,;36.36,-18.5,;37.69,-19.26,;37.7,-20.8,;39.03,-18.49,;39.02,-16.95,;40.35,-16.18,;41.69,-16.94,;41.69,-18.48,;40.36,-19.26,;35,-11.57,;33.67,-12.35,;25.65,-9.3,;24.33,-10.07,;22.99,-9.31,;22.99,-7.77,;21.65,-7,;24.32,-6.99,;25.65,-7.76,)|
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n/an/an/a 0.300n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569982
PNG
(CHEMBL4859914)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)c3cccc4ccccc34)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(30.79,-26.87,;32.13,-26.1,;32.14,-24.56,;30.81,-23.79,;30.82,-22.25,;32.16,-21.48,;33.49,-22.26,;33.48,-23.8,;34.81,-24.58,;36.15,-23.81,;36.15,-22.27,;37.49,-21.51,;38.82,-22.28,;40.16,-21.52,;40.17,-19.98,;41.49,-22.31,;41.48,-23.85,;42.81,-24.62,;40.14,-24.6,;40.13,-26.14,;38.8,-26.9,;38.79,-28.44,;40.12,-29.22,;41.46,-28.47,;41.46,-26.93,;40.11,-30.76,;41.44,-31.55,;41.43,-33.09,;42.77,-30.78,;42.79,-29.24,;44.12,-28.48,;45.45,-29.25,;45.45,-30.79,;46.78,-31.57,;46.76,-33.11,;45.43,-33.87,;44.1,-33.1,;44.1,-31.56,;38.81,-23.82,;37.48,-24.59,;29.49,-21.47,;28.15,-22.24,;26.82,-21.46,;26.83,-19.92,;25.5,-19.13,;28.17,-19.16,;29.5,-19.93,)|
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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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569983
PNG
(CHEMBL4870731)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NCC3CC3)c2n1)N1CCN(C)CC1 |r,wU:22.26,19.19,(9.04,-26.26,;10.37,-25.49,;10.35,-23.95,;9.01,-23.18,;9,-21.64,;10.33,-20.86,;11.67,-21.62,;11.68,-23.16,;13.02,-23.93,;14.35,-23.14,;14.34,-21.6,;15.66,-20.82,;17.01,-21.58,;18.34,-20.8,;18.32,-19.26,;19.67,-21.57,;19.68,-23.11,;21.03,-23.87,;18.35,-23.89,;18.37,-25.43,;17.04,-26.2,;17.05,-27.74,;18.39,-28.51,;19.71,-27.73,;19.71,-26.19,;18.39,-30.05,;19.74,-30.81,;19.75,-32.35,;20.52,-33.68,;18.98,-33.69,;17.02,-23.12,;15.69,-23.91,;7.66,-20.88,;6.33,-21.65,;4.99,-20.9,;4.99,-19.36,;3.64,-18.59,;6.32,-18.57,;7.65,-19.34,)|
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n/an/an/a 6.10n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569984
PNG
(CHEMBL4866294)
Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2ccc1=O |r,wU:8.11,5.4,(20.22,-28.6,;20.22,-30.14,;18.87,-30.9,;18.86,-32.44,;17.54,-30.12,;17.55,-28.58,;16.22,-27.8,;16.23,-26.26,;17.58,-25.5,;18.91,-26.28,;18.9,-27.82,;17.59,-23.96,;16.26,-23.18,;14.92,-23.94,;13.6,-23.16,;12.26,-23.92,;10.92,-23.14,;10.94,-21.6,;9.61,-20.82,;8.27,-21.58,;8.26,-23.12,;9.59,-23.9,;9.58,-25.44,;8.23,-26.2,;6.94,-20.8,;5.6,-21.56,;4.28,-20.78,;4.28,-19.24,;2.96,-18.46,;5.62,-18.48,;6.95,-19.26,;13.61,-21.62,;14.94,-20.86,;16.27,-21.64,;17.62,-20.88,;18.93,-21.66,;18.93,-23.2,;20.25,-23.98,)|
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n/an/an/a 0.410n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569985
PNG
(CHEMBL4874692)
Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(CC)cc1=O |r,wU:8.11,5.4,(26.59,-17.84,;26.61,-19.38,;25.28,-20.16,;25.3,-21.7,;23.94,-19.4,;23.93,-17.86,;22.59,-17.11,;22.57,-15.56,;23.9,-14.78,;25.24,-15.54,;25.25,-17.08,;23.88,-13.24,;22.54,-12.48,;21.22,-13.27,;19.87,-12.51,;18.54,-13.29,;17.2,-12.54,;17.19,-11,;15.85,-10.24,;14.52,-11.02,;14.54,-12.56,;15.88,-13.32,;15.89,-14.86,;14.57,-15.64,;13.17,-10.26,;11.85,-11.05,;10.51,-10.29,;10.49,-8.75,;9.15,-8,;11.82,-7.97,;13.16,-8.72,;19.85,-10.97,;21.18,-10.19,;22.53,-10.94,;23.85,-10.16,;23.84,-8.62,;25.16,-7.84,;25.19,-10.92,;25.21,-12.46,;26.55,-13.22,)|
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n/an/an/a 1.5n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569986
PNG
(CHEMBL4853433)
Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(cc1=O)C1CC1 |r,wU:8.11,5.4,(31.93,-16.84,;31.94,-18.38,;30.61,-19.15,;30.62,-20.69,;29.27,-18.4,;29.26,-16.86,;27.92,-16.09,;27.91,-14.55,;29.24,-13.78,;30.58,-14.53,;30.59,-16.07,;29.23,-12.24,;27.89,-11.47,;26.56,-12.25,;25.23,-11.49,;23.9,-12.26,;22.56,-11.51,;22.55,-9.97,;21.21,-9.2,;19.88,-9.99,;19.89,-11.53,;21.23,-12.28,;21.24,-13.82,;19.91,-14.61,;18.54,-9.22,;17.21,-10,;15.87,-9.24,;15.86,-7.7,;14.53,-6.93,;17.19,-6.92,;18.53,-7.68,;25.21,-9.95,;26.55,-9.17,;27.88,-9.93,;29.21,-9.16,;30.55,-9.91,;30.56,-11.45,;31.9,-12.22,;29.21,-7.61,;28.42,-6.28,;29.96,-6.27,)|
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n/an/an/a 7.90n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569987
PNG
(CHEMBL4862196)
Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(cc1=O)-c1ccccc1 |r,wU:8.11,5.4,(32.37,-23.07,;32.39,-24.61,;31.07,-25.4,;31.09,-26.94,;29.72,-24.64,;29.7,-23.1,;28.36,-22.35,;28.34,-20.81,;29.67,-20.02,;31.01,-20.78,;31.03,-22.32,;29.65,-18.48,;28.31,-17.73,;26.98,-18.51,;25.63,-17.76,;24.31,-18.54,;22.97,-17.78,;22.95,-16.24,;21.61,-15.49,;20.28,-16.28,;20.3,-17.82,;21.65,-18.57,;21.67,-20.11,;20.34,-20.9,;18.94,-15.52,;17.61,-16.31,;16.27,-15.55,;16.25,-14.01,;14.91,-13.26,;17.58,-13.23,;18.92,-13.98,;25.61,-16.21,;26.94,-15.43,;28.29,-16.19,;29.61,-15.4,;30.95,-16.15,;30.97,-17.69,;32.32,-18.45,;29.59,-13.86,;28.25,-13.11,;28.24,-11.57,;29.56,-10.78,;30.9,-11.53,;30.92,-13.07,)|
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n/an/an/a 825n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569988
PNG
(CHEMBL4869527)
Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2cc(C)c1=O |r,wU:8.11,5.4,(31.37,-19.77,;31.4,-21.31,;30.07,-22.1,;30.1,-23.64,;28.73,-21.35,;28.71,-19.82,;27.36,-19.06,;27.34,-17.52,;28.67,-16.74,;30,-17.48,;30.03,-19.02,;28.64,-15.19,;27.3,-14.44,;25.98,-15.23,;24.63,-14.48,;23.3,-15.26,;21.96,-14.51,;21.94,-12.97,;20.6,-12.22,;19.27,-13.01,;19.3,-14.55,;20.64,-15.3,;20.67,-16.84,;19.34,-17.63,;17.93,-12.26,;16.61,-13.05,;15.26,-12.3,;15.24,-10.76,;13.89,-10.01,;16.56,-9.97,;17.91,-10.73,;24.61,-12.94,;25.93,-12.15,;27.27,-12.9,;28.6,-12.11,;29.94,-12.87,;31.26,-12.07,;29.96,-14.41,;31.31,-15.15,)|
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n/an/an/a 0.290n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569989
PNG
(CHEMBL4870223)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)c(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(17.33,-15.64,;18.66,-14.88,;18.67,-13.34,;17.34,-12.56,;17.35,-11.02,;18.7,-10.26,;20.03,-11.04,;20.01,-12.58,;21.34,-13.36,;22.68,-12.59,;22.69,-11.05,;24.03,-10.3,;25.36,-11.08,;26.7,-10.32,;28.03,-11.1,;29.37,-10.33,;28.01,-12.64,;29.34,-13.41,;26.67,-13.4,;26.67,-14.94,;25.33,-15.7,;25.31,-17.24,;26.65,-18.02,;27.98,-17.26,;27.99,-15.72,;26.63,-19.56,;27.96,-20.34,;27.95,-21.88,;29.29,-19.57,;29.47,-18.05,;30.98,-17.74,;31.74,-19.07,;30.7,-20.21,;25.35,-12.62,;24.01,-13.38,;16.03,-10.24,;14.69,-11,;13.36,-10.22,;13.37,-8.68,;12.04,-7.9,;14.72,-7.92,;16.04,-8.7,)|
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n/an/an/a 0.170n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569990
PNG
(CHEMBL4858486)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)c(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(16.39,-16.35,;17.73,-15.58,;17.73,-14.04,;16.41,-13.27,;16.41,-11.73,;17.75,-10.96,;19.08,-11.74,;19.08,-13.28,;20.41,-14.06,;21.74,-13.29,;21.75,-11.75,;23.08,-10.99,;24.42,-11.77,;25.76,-11.01,;27.09,-11.78,;28.42,-11.03,;27.08,-13.32,;28.4,-14.11,;25.74,-14.09,;25.73,-15.63,;24.39,-16.39,;24.38,-17.93,;25.71,-18.71,;27.05,-17.94,;27.06,-16.4,;25.7,-20.25,;27.03,-21.02,;27.02,-22.56,;28.37,-20.27,;28.38,-18.73,;29.71,-17.96,;31.05,-18.74,;31.03,-20.28,;29.7,-21.04,;24.41,-13.31,;23.07,-14.07,;15.08,-10.95,;13.75,-11.71,;12.42,-10.93,;12.43,-9.39,;11.1,-8.62,;13.77,-8.63,;15.1,-9.41,)|
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n/an/an/a 0.170n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569991
PNG
(CHEMBL4877547)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(CC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12 |r,wU:22.24,wD:20.21,(19.38,-17.1,;18.9,-15.63,;17.39,-15.32,;16.91,-13.85,;17.93,-12.71,;19.43,-13.02,;19.92,-14.48,;21.43,-14.8,;22.45,-13.64,;21.92,-16.26,;23.42,-16.57,;24.58,-17.58,;24.89,-16.08,;15.4,-13.54,;14.77,-12.14,;13.24,-12.31,;12.93,-13.81,;11.6,-14.58,;10.27,-13.82,;8.94,-14.59,;8.94,-16.13,;7.85,-17.22,;8.94,-18.3,;8.17,-19.63,;9.7,-19.63,;10.03,-17.22,;11.6,-16.13,;12.94,-16.9,;12.93,-18.44,;14.27,-19.21,;14.26,-20.75,;15.59,-21.52,;16.93,-20.75,;16.92,-19.2,;15.59,-18.44,;14.27,-16.13,;14.27,-14.58,)|
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n/an/an/a 0.0710n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569992
PNG
(CHEMBL4853927)
Show SMILES CCC(=O)N1CC[C@@H](C1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(C)cc1=O |r|
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n/an/an/a 145n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(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,)|
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n/an/an/a>1.00E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length PIK3CD (R108 to Q1044 residues) expressed in HEK293 cells by active site-directed competition bind...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(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,)|
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n/an/an/a 13n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length DAPK3 (M1 to A277 residues) expressed in bacterial expression system by measuring active site-dire...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(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,)|
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n/an/an/a 11n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human full length MARK3 (M1 to L729 residues) expressed in bacterial expression system by measuring active site-directe...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma


(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,)|
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n/an/an/a>1.00E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human partial length PIK3C2G (M1 to I1446 residues) expressed in mammalian expression system by active site-directed competition ...

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))		BDBM50569968
PNG
(CHEMBL4859127)
Show SMILES CCC(=O)N1CCC(CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(C)cc1=O
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n/an/an/a 9.30n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569967
PNG
(CHEMBL4849289)
Show SMILES CCC(=O)N1CCC[C@@H](C1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(C)cc1=O |r|
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n/an/an/a 200n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569966
PNG
(CHEMBL4855669)
Show SMILES CCC(=O)N1CCC[C@H](C1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(C)cc1=O |r|
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n/an/an/a 250n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569965
PNG
(CHEMBL4860644)
Show SMILES CCC(=O)N1CC[C@H](C1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(C)cc1=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
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n/an/an/a>310n/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
Interleukin-1 receptor-associated kinase 1


(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

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UniProtKB/SwissProt

antibodypedia
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PC cid
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UniChem
Article
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n/an/an/a>1.00E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length IRAK1 (R194 to S712 residues) expressed in mammalian expression system by active site-directed com...

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))		BDBM50234187
PNG
(CHEMBL4093766)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@H]3CCN(C3)C(=O)C=C)c2n1)N1CCN(C)CC1 |r|
Show InChI InChI=1S/C27H33N7O3/c1-5-24(35)33-9-8-20(17-33)34-25(36)14-18(2)21-16-28-27(30-26(21)34)29-22-7-6-19(15-23(22)37-4)32-12-10-31(3)11-13-32/h5-7,14-16,20H,1,8-13,17H2,2-4H3,(H,28,29,30)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
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UniChem

Similars
Article
PubMed
n/an/an/a 190n/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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50569964
PNG
(CHEMBL4856340)
Show SMILES CCC(=O)N1CC(C1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(C)cc1=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.00E+3n/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