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Compile Data Set for Download or QSAR

Found 197 hits with Last Name = 'fletcher' and Initial = 'gc'   
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))		BDBM50512456
PNG
(CHEMBL4469414)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12 |r,wU:20.21,22.25,(48.46,-32.37,;49.53,-31.26,;49.1,-29.78,;50.17,-28.67,;51.66,-29.03,;52.09,-30.5,;51.03,-31.63,;51.46,-33.1,;50.39,-34.22,;52.95,-33.47,;54.02,-32.36,;55.49,-31.92,;54.38,-30.85,;49.74,-27.2,;50.69,-25.98,;49.82,-24.7,;48.34,-25.14,;47.04,-24.33,;47.09,-22.79,;45.78,-21.98,;44.42,-22.71,;43.98,-24.18,;42.51,-23.74,;41.01,-23.33,;41.41,-24.82,;42.95,-22.26,;45.69,-25.06,;45.64,-26.6,;44.29,-27.33,;44.25,-28.87,;42.89,-29.59,;42.85,-31.13,;44.16,-31.94,;45.52,-31.2,;45.56,-29.66,;46.95,-27.4,;48.29,-26.68,)|
Show InChI InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)/t18-,28+
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 0.100n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50512456
PNG
(CHEMBL4469414)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12 |r,wU:20.21,22.25,(48.46,-32.37,;49.53,-31.26,;49.1,-29.78,;50.17,-28.67,;51.66,-29.03,;52.09,-30.5,;51.03,-31.63,;51.46,-33.1,;50.39,-34.22,;52.95,-33.47,;54.02,-32.36,;55.49,-31.92,;54.38,-30.85,;49.74,-27.2,;50.69,-25.98,;49.82,-24.7,;48.34,-25.14,;47.04,-24.33,;47.09,-22.79,;45.78,-21.98,;44.42,-22.71,;43.98,-24.18,;42.51,-23.74,;41.01,-23.33,;41.41,-24.82,;42.95,-22.26,;45.69,-25.06,;45.64,-26.6,;44.29,-27.33,;44.25,-28.87,;42.89,-29.59,;42.85,-31.13,;44.16,-31.94,;45.52,-31.2,;45.56,-29.66,;46.95,-27.4,;48.29,-26.68,)|
Show InChI InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)/t18-,28+
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 0.100n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081537
PNG
(CHEMBL3422092)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1 |r,@:7|
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 0.700n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate by Lineweaver-Burk plot analysis in prese...

J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50183019
PNG
(CHEMBL3819210)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
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 0.770n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of TTK (unknown origin) by double reciprocal plot analysis in presence of ATP

Bioorg Med Chem Lett 26: 3562-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.021
BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50183021
PNG
(CHEMBL3818646)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3cccc(F)c3F)nc12
Show InChI InChI=1S/C28H28F2N6O3/c1-16-13-18(5-8-20(16)26(37)33-19-6-7-19)21-15-32-36-25(21)34-28(39-23-4-2-3-22(29)24(23)30)35-27(36)31-14-17-9-11-38-12-10-17/h2-5,8,13,15,17,19H,6-7,9-12,14H2,1H3,(H,33,37)(H,31,34,35)
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n/an/a 0.400n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)

Bioorg Med Chem Lett 26: 3562-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.021
BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50183022
PNG
(CHEMBL3819019)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3cccc(F)c3)nc12
Show InChI InChI=1S/C28H30FN7O2/c1-17-13-19(5-8-23(17)26(37)32-21-6-7-21)24-16-31-36-25(24)34-27(33-22-4-2-3-20(29)14-22)35-28(36)30-15-18-9-11-38-12-10-18/h2-5,8,13-14,16,18,21H,6-7,9-12,15H2,1H3,(H,32,37)(H2,30,33,34,35)
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n/an/a 0.700n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)

Bioorg Med Chem Lett 26: 3562-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.021
BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50183023
PNG
(CHEMBL3819328)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3ccccc3F)nc12
Show InChI InChI=1S/C28H30FN7O2/c1-17-14-19(6-9-21(17)26(37)32-20-7-8-20)22-16-31-36-25(22)34-27(33-24-5-3-2-4-23(24)29)35-28(36)30-15-18-10-12-38-13-11-18/h2-6,9,14,16,18,20H,7-8,10-13,15H2,1H3,(H,32,37)(H2,30,33,34,35)
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n/an/a 0.940n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)

Bioorg Med Chem Lett 26: 3562-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.021
BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081539
PNG
(CHEMBL3422104)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1cccc2ncccc12
Show InChI InChI=1S/C29H28N6O/c1-18(2)15-31-27-28-32-16-26(19-8-10-20(11-9-19)29(36)33-21-12-13-21)35(28)17-25(34-27)23-5-3-7-24-22(23)6-4-14-30-24/h3-11,14,16-18,21H,12-13,15H2,1-2H3,(H,31,34)(H,33,36)
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n/an/a 1n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged TTK using biotinylated PWDPDDADITEILG as substrate preincubated for 15 mins followe...

Bioorg Med Chem Lett 26: 3562-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.021
BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081539
PNG
(CHEMBL3422104)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1cccc2ncccc12
Show InChI InChI=1S/C29H28N6O/c1-18(2)15-31-27-28-32-16-26(19-8-10-20(11-9-19)29(36)33-21-12-13-21)35(28)17-25(34-27)23-5-3-7-24-22(23)6-4-14-30-24/h3-11,14,16-18,21H,12-13,15H2,1-2H3,(H,31,34)(H,33,36)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TTK

J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533129
PNG
(CHEMBL4526755)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@H](O)C3)cc(Oc3cccnc3)nc12 |r,wU:20.21,wD:22.24,(11.14,-42.46,;12.21,-41.35,;11.78,-39.87,;12.85,-38.76,;14.34,-39.12,;14.78,-40.59,;13.71,-41.71,;14.14,-43.19,;13.07,-44.31,;15.64,-43.56,;16.7,-42.44,;18.18,-42.01,;17.06,-40.94,;12.42,-37.28,;13.37,-36.07,;12.5,-34.79,;11.02,-35.23,;9.72,-34.42,;9.77,-32.88,;8.46,-32.07,;7.1,-32.8,;6.66,-34.28,;5.19,-33.83,;3.83,-34.56,;5.63,-32.36,;8.37,-35.15,;8.32,-36.69,;6.97,-37.42,;6.93,-38.96,;5.57,-39.68,;5.53,-41.22,;6.84,-42.03,;8.2,-41.29,;8.24,-39.75,;9.63,-37.49,;10.97,-36.76,)|
Show InChI InChI=1S/C27H28N6O3/c1-16-9-18(4-7-22(16)27(35)31-19-5-6-19)23-15-30-33-24(29-13-17-10-20(34)11-17)12-25(32-26(23)33)36-21-3-2-8-28-14-21/h2-4,7-9,12,14-15,17,19-20,29,34H,5-6,10-11,13H2,1H3,(H,31,35)/t17-,20-
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081597
PNG
(CHEMBL3422095)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CCCC1)c1ncccn1 |r,@:7|
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n/an/a 1.10n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...

J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081607
PNG
(CHEMBL3422080)
Show SMILES O=C(NCC1(CCCCC1)N1CCOCC1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...

J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533129
PNG
(CHEMBL4526755)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@H](O)C3)cc(Oc3cccnc3)nc12 |r,wU:20.21,wD:22.24,(11.14,-42.46,;12.21,-41.35,;11.78,-39.87,;12.85,-38.76,;14.34,-39.12,;14.78,-40.59,;13.71,-41.71,;14.14,-43.19,;13.07,-44.31,;15.64,-43.56,;16.7,-42.44,;18.18,-42.01,;17.06,-40.94,;12.42,-37.28,;13.37,-36.07,;12.5,-34.79,;11.02,-35.23,;9.72,-34.42,;9.77,-32.88,;8.46,-32.07,;7.1,-32.8,;6.66,-34.28,;5.19,-33.83,;3.83,-34.56,;5.63,-32.36,;8.37,-35.15,;8.32,-36.69,;6.97,-37.42,;6.93,-38.96,;5.57,-39.68,;5.53,-41.22,;6.84,-42.03,;8.2,-41.29,;8.24,-39.75,;9.63,-37.49,;10.97,-36.76,)|
Show InChI InChI=1S/C27H28N6O3/c1-16-9-18(4-7-22(16)27(35)31-19-5-6-19)23-15-30-33-24(29-13-17-10-20(34)11-17)12-25(32-26(23)33)36-21-3-2-8-28-14-21/h2-4,7-9,12,14-15,17,19-20,29,34H,5-6,10-11,13H2,1H3,(H,31,35)/t17-,20-
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081578
PNG
(CHEMBL3422091)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CC1)c1ccccn1 |r,@:7|
Show InChI InChI=1S/C30H31N5O2/c36-24-16-22-11-12-23(17-24)35(22)21-9-6-18(7-10-21)28-25-15-20(8-13-26(25)33-34-28)30(37)32-29(19-4-5-19)27-3-1-2-14-31-27/h1-3,6-10,13-15,19,22-24,29,36H,4-5,11-12,16-17H2,(H,32,37)(H,33,34)/t22-,23-,29-/m0/s1
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...

J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081574
PNG
(CHEMBL3422086)
Show SMILES O=C(N[C@@H](C1CCCC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1 |r|
Show InChI InChI=1S/C31H33N5O2/c37-31(33-30(20-5-1-2-6-20)28-7-3-4-16-32-28)22-10-15-27-26(17-22)29(35-34-27)21-8-11-23(12-9-21)36-24-13-14-25(36)19-38-18-24/h3-4,7-12,15-17,20,24-25,30H,1-2,5-6,13-14,18-19H2,(H,33,37)(H,34,35)/t24?,25?,30-/m0/s1
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...

J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081578
PNG
(CHEMBL3422091)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CC1)c1ccccn1 |r,@:7|
Show InChI InChI=1S/C30H31N5O2/c36-24-16-22-11-12-23(17-24)35(22)21-9-6-18(7-10-21)28-25-15-20(8-13-26(25)33-34-28)30(37)32-29(19-4-5-19)27-3-1-2-14-31-27/h1-3,6-10,13-15,19,22-24,29,36H,4-5,11-12,16-17H2,(H,32,37)(H,33,34)/t22-,23-,29-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...

J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50183019
PNG
(CHEMBL3819210)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
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n/an/a 1.40n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50183019
PNG
(CHEMBL3819210)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
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n/an/a 1.40n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)

Bioorg Med Chem Lett 26: 3562-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.021
BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50183019
PNG
(CHEMBL3819210)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081609
PNG
(CHEMBL3422084)
Show SMILES O=C(N[C@@H](C1CC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1 |r|
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...

J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081600
PNG
(CHEMBL3422099)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](CC1CC1)c1ccccn1 |r,@:7|
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...

J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081598
PNG
(CHEMBL3422097)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](CC(C)C)c1ccccn1 |r,@:7|
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n/an/a 1.70n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...

J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50512456
PNG
(CHEMBL4469414)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12 |r,wU:20.21,22.25,(48.46,-32.37,;49.53,-31.26,;49.1,-29.78,;50.17,-28.67,;51.66,-29.03,;52.09,-30.5,;51.03,-31.63,;51.46,-33.1,;50.39,-34.22,;52.95,-33.47,;54.02,-32.36,;55.49,-31.92,;54.38,-30.85,;49.74,-27.2,;50.69,-25.98,;49.82,-24.7,;48.34,-25.14,;47.04,-24.33,;47.09,-22.79,;45.78,-21.98,;44.42,-22.71,;43.98,-24.18,;42.51,-23.74,;41.01,-23.33,;41.41,-24.82,;42.95,-22.26,;45.69,-25.06,;45.64,-26.6,;44.29,-27.33,;44.25,-28.87,;42.89,-29.59,;42.85,-31.13,;44.16,-31.94,;45.52,-31.2,;45.56,-29.66,;46.95,-27.4,;48.29,-26.68,)|
Show InChI InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)/t18-,28+
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50512456
PNG
(CHEMBL4469414)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12 |r,wU:20.21,22.25,(48.46,-32.37,;49.53,-31.26,;49.1,-29.78,;50.17,-28.67,;51.66,-29.03,;52.09,-30.5,;51.03,-31.63,;51.46,-33.1,;50.39,-34.22,;52.95,-33.47,;54.02,-32.36,;55.49,-31.92,;54.38,-30.85,;49.74,-27.2,;50.69,-25.98,;49.82,-24.7,;48.34,-25.14,;47.04,-24.33,;47.09,-22.79,;45.78,-21.98,;44.42,-22.71,;43.98,-24.18,;42.51,-23.74,;41.01,-23.33,;41.41,-24.82,;42.95,-22.26,;45.69,-25.06,;45.64,-26.6,;44.29,-27.33,;44.25,-28.87,;42.89,-29.59,;42.85,-31.13,;44.16,-31.94,;45.52,-31.2,;45.56,-29.66,;46.95,-27.4,;48.29,-26.68,)|
Show InChI InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)/t18-,28+
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50183036
PNG
(CHEMBL3818403)
Show SMILES Clc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C27H27ClN6O3/c28-23-14-18(6-9-21(23)25(35)31-19-7-8-19)22-16-30-34-24(22)32-27(37-20-4-2-1-3-5-20)33-26(34)29-15-17-10-12-36-13-11-17/h1-6,9,14,16-17,19H,7-8,10-13,15H2,(H,31,35)(H,29,32,33)
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n/an/a 1.70n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)

Bioorg Med Chem Lett 26: 3562-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.021
BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533132
PNG
(CHEMBL4579057)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@@H]3CC[C@H](O)CC3)cc(Oc3cccnc3)nc12 |r,wU:20.21,23.25,(9.61,-13.4,;10.68,-12.29,;10.25,-10.82,;11.32,-9.7,;12.81,-10.07,;13.24,-11.54,;12.17,-12.66,;12.61,-14.14,;11.54,-15.25,;14.1,-14.51,;15.17,-13.39,;16.64,-12.95,;15.53,-11.89,;10.89,-8.23,;11.83,-7.02,;10.96,-5.74,;9.49,-6.18,;8.19,-5.37,;8.24,-3.83,;6.93,-3.02,;5.57,-3.75,;4.26,-2.93,;2.9,-3.66,;2.85,-5.2,;1.49,-5.92,;4.15,-6.01,;5.52,-5.29,;6.83,-6.1,;6.79,-7.64,;5.44,-8.37,;5.39,-9.91,;4.04,-10.63,;4,-12.17,;5.31,-12.98,;6.67,-12.24,;6.71,-10.7,;8.09,-8.44,;9.44,-7.71,)|
Show InChI InChI=1S/C29H32N6O3/c1-18-13-20(6-11-24(18)29(37)33-21-7-8-21)25-17-32-35-26(31-15-19-4-9-22(36)10-5-19)14-27(34-28(25)35)38-23-3-2-12-30-16-23/h2-3,6,11-14,16-17,19,21-22,31,36H,4-5,7-10,15H2,1H3,(H,33,37)/t19-,22+
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533132
PNG
(CHEMBL4579057)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@@H]3CC[C@H](O)CC3)cc(Oc3cccnc3)nc12 |r,wU:20.21,23.25,(9.61,-13.4,;10.68,-12.29,;10.25,-10.82,;11.32,-9.7,;12.81,-10.07,;13.24,-11.54,;12.17,-12.66,;12.61,-14.14,;11.54,-15.25,;14.1,-14.51,;15.17,-13.39,;16.64,-12.95,;15.53,-11.89,;10.89,-8.23,;11.83,-7.02,;10.96,-5.74,;9.49,-6.18,;8.19,-5.37,;8.24,-3.83,;6.93,-3.02,;5.57,-3.75,;4.26,-2.93,;2.9,-3.66,;2.85,-5.2,;1.49,-5.92,;4.15,-6.01,;5.52,-5.29,;6.83,-6.1,;6.79,-7.64,;5.44,-8.37,;5.39,-9.91,;4.04,-10.63,;4,-12.17,;5.31,-12.98,;6.67,-12.24,;6.71,-10.7,;8.09,-8.44,;9.44,-7.71,)|
Show InChI InChI=1S/C29H32N6O3/c1-18-13-20(6-11-24(18)29(37)33-21-7-8-21)25-17-32-35-26(31-15-19-4-9-22(36)10-5-19)14-27(34-28(25)35)38-23-3-2-12-30-16-23/h2-3,6,11-14,16-17,19,21-22,31,36H,4-5,7-10,15H2,1H3,(H,33,37)/t19-,22+
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081552
PNG
(CHEMBL3422063)
Show SMILES CC[C@@H](NC(=O)c1ccc2[nH]nc(-c3ccc(OC4CCN(C)CC4)cc3)c2c1)c1ccccc1Cl |r|
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n/an/a 1.90n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...

J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081573
PNG
(CHEMBL3422085)
Show SMILES O=C(N[C@H](C1CC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1 |r|
Show InChI InChI=1S/C29H29N5O2/c35-29(31-28(19-4-5-19)26-3-1-2-14-30-26)20-8-13-25-24(15-20)27(33-32-25)18-6-9-21(10-7-18)34-22-11-12-23(34)17-36-16-22/h1-3,6-10,13-15,19,22-23,28H,4-5,11-12,16-17H2,(H,31,35)(H,32,33)/t22?,23?,28-/m1/s1
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...

J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081571
PNG
(CHEMBL3422083)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1)c1ccccc1Cl |r|
Show InChI InChI=1S/C30H31ClN4O2/c1-18(2)28(24-5-3-4-6-26(24)31)32-30(36)20-9-14-27-25(15-20)29(34-33-27)19-7-10-21(11-8-19)35-22-12-13-23(35)17-37-16-22/h3-11,14-15,18,22-23,28H,12-13,16-17H2,1-2H3,(H,32,36)(H,33,34)/t22?,23?,28-/m0/s1
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...

J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533126
PNG
(CHEMBL4467062)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)cc(N[C@H]3CCCC[C@H]3O)nc12 |r|
Show InChI InChI=1S/C29H38N6O3/c1-18-14-20(6-9-22(18)29(37)32-21-7-8-21)23-17-31-35-27(30-16-19-10-12-38-13-11-19)15-26(34-28(23)35)33-24-4-2-3-5-25(24)36/h6,9,14-15,17,19,21,24-25,30,36H,2-5,7-8,10-13,16H2,1H3,(H,32,37)(H,33,34)/t24-,25+/m0/s1
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533126
PNG
(CHEMBL4467062)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)cc(N[C@H]3CCCC[C@H]3O)nc12 |r|
Show InChI InChI=1S/C29H38N6O3/c1-18-14-20(6-9-22(18)29(37)32-21-7-8-21)23-17-31-35-27(30-16-19-10-12-38-13-11-19)15-26(34-28(23)35)33-24-4-2-3-5-25(24)36/h6,9,14-15,17,19,21,24-25,30,36H,2-5,7-8,10-13,16H2,1H3,(H,32,37)(H,33,34)/t24-,25+/m0/s1
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533128
PNG
(CHEMBL4444859)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CC3)cc(N[C@@H]3CCCC[C@H]3O)nc12 |r|
Show InChI InChI=1S/C27H34N6O2/c1-16-12-18(8-11-20(16)27(35)30-19-9-10-19)21-15-29-33-25(28-14-17-6-7-17)13-24(32-26(21)33)31-22-4-2-3-5-23(22)34/h8,11-13,15,17,19,22-23,28,34H,2-7,9-10,14H2,1H3,(H,30,35)(H,31,32)/t22-,23-/m1/s1
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533122
PNG
(CHEMBL4541788)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCCN3CCOCC3)cc(Oc3cccc(F)c3)nc12
Show InChI InChI=1S/C29H31FN6O3/c1-19-15-20(5-8-24(19)29(37)33-22-6-7-22)25-18-32-36-26(31-9-10-35-11-13-38-14-12-35)17-27(34-28(25)36)39-23-4-2-3-21(30)16-23/h2-5,8,15-18,22,31H,6-7,9-14H2,1H3,(H,33,37)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533122
PNG
(CHEMBL4541788)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCCN3CCOCC3)cc(Oc3cccc(F)c3)nc12
Show InChI InChI=1S/C29H31FN6O3/c1-19-15-20(5-8-24(19)29(37)33-22-6-7-22)25-18-32-36-26(31-9-10-35-11-13-38-14-12-35)17-27(34-28(25)36)39-23-4-2-3-21(30)16-23/h2-5,8,15-18,22,31H,6-7,9-14H2,1H3,(H,33,37)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533128
PNG
(CHEMBL4444859)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CC3)cc(N[C@@H]3CCCC[C@H]3O)nc12 |r|
Show InChI InChI=1S/C27H34N6O2/c1-16-12-18(8-11-20(16)27(35)30-19-9-10-19)21-15-29-33-25(28-14-17-6-7-17)13-24(32-26(21)33)31-22-4-2-3-5-23(22)34/h8,11-13,15,17,19,22-23,28,34H,2-7,9-10,14H2,1H3,(H,30,35)(H,31,32)/t22-,23-/m1/s1
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081601
PNG
(CHEMBL3422102)
Show SMILES [H][C@]12COC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CCCC1)c1ccccn1 |r,@:8,THB:9:8:11:2.4.3|
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...

J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50183041
PNG
(CHEMBL3819003)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCCN3CCOCC3)nc(Oc3cccc(F)c3F)nc12
Show InChI InChI=1S/C28H29F2N7O3/c1-17-15-18(5-8-20(17)26(38)33-19-6-7-19)21-16-32-37-25(21)34-28(40-23-4-2-3-22(29)24(23)30)35-27(37)31-9-10-36-11-13-39-14-12-36/h2-5,8,15-16,19H,6-7,9-14H2,1H3,(H,33,38)(H,31,34,35)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)

Bioorg Med Chem Lett 26: 3562-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.021
BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50183025
PNG
(CHEMBL3818533)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(OC3CCCC3)nc12
Show InChI InChI=1S/C27H34N6O3/c1-17-14-19(6-9-22(17)25(34)30-20-7-8-20)23-16-29-33-24(23)31-27(36-21-4-2-3-5-21)32-26(33)28-15-18-10-12-35-13-11-18/h6,9,14,16,18,20-21H,2-5,7-8,10-13,15H2,1H3,(H,30,34)(H,28,31,32)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)

Bioorg Med Chem Lett 26: 3562-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.021
BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533130
PNG
(CHEMBL4443683)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@H](O)C3)cc(NC3CCCC3)nc12 |r,wU:20.21,wD:22.24,(27.45,-12.4,;28.52,-11.29,;28.09,-9.81,;29.16,-8.7,;30.65,-9.06,;31.09,-10.54,;30.02,-11.66,;30.45,-13.14,;29.38,-14.25,;31.95,-13.5,;33.01,-12.39,;34.49,-11.95,;33.37,-10.89,;28.73,-7.23,;29.68,-6.01,;28.81,-4.74,;27.33,-5.17,;26.03,-4.37,;26.08,-2.83,;24.77,-2.02,;23.41,-2.74,;22.97,-4.23,;21.5,-3.78,;20.14,-4.51,;21.94,-2.31,;24.68,-5.09,;24.63,-6.63,;23.28,-7.37,;23.24,-8.91,;21.97,-9.77,;22.4,-11.25,;23.94,-11.29,;24.46,-9.84,;25.94,-7.43,;27.28,-6.71,)|
Show InChI InChI=1S/C27H34N6O2/c1-16-10-18(6-9-22(16)27(35)31-20-7-8-20)23-15-29-33-25(28-14-17-11-21(34)12-17)13-24(32-26(23)33)30-19-4-2-3-5-19/h6,9-10,13,15,17,19-21,28,34H,2-5,7-8,11-12,14H2,1H3,(H,30,32)(H,31,35)/t17-,21-
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533120
PNG
(CHEMBL4442392)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@](C)(O)C3)cc(Oc3cccnc3)nc12 |r,wU:20.21,wD:22.25,(30.66,-41.08,;31.73,-39.97,;31.3,-38.49,;32.37,-37.38,;33.86,-37.74,;34.29,-39.22,;33.22,-40.34,;33.65,-41.81,;32.59,-42.93,;35.15,-42.18,;36.21,-41.07,;37.69,-40.63,;36.58,-39.56,;31.94,-35.91,;32.88,-34.69,;32.01,-33.41,;30.54,-33.85,;29.23,-33.04,;29.28,-31.5,;27.98,-30.69,;26.62,-31.42,;26.18,-32.9,;24.7,-32.46,;24.29,-33.94,;22.96,-32.59,;25.15,-30.98,;27.88,-33.77,;27.84,-35.31,;26.48,-36.04,;26.44,-37.58,;25.09,-38.3,;25.04,-39.84,;26.36,-40.65,;27.72,-39.91,;27.75,-38.37,;29.14,-36.11,;30.49,-35.39,)|
Show InChI InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)/t18-,28-
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533120
PNG
(CHEMBL4442392)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@](C)(O)C3)cc(Oc3cccnc3)nc12 |r,wU:20.21,wD:22.25,(30.66,-41.08,;31.73,-39.97,;31.3,-38.49,;32.37,-37.38,;33.86,-37.74,;34.29,-39.22,;33.22,-40.34,;33.65,-41.81,;32.59,-42.93,;35.15,-42.18,;36.21,-41.07,;37.69,-40.63,;36.58,-39.56,;31.94,-35.91,;32.88,-34.69,;32.01,-33.41,;30.54,-33.85,;29.23,-33.04,;29.28,-31.5,;27.98,-30.69,;26.62,-31.42,;26.18,-32.9,;24.7,-32.46,;24.29,-33.94,;22.96,-32.59,;25.15,-30.98,;27.88,-33.77,;27.84,-35.31,;26.48,-36.04,;26.44,-37.58,;25.09,-38.3,;25.04,-39.84,;26.36,-40.65,;27.72,-39.91,;27.75,-38.37,;29.14,-36.11,;30.49,-35.39,)|
Show InChI InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)/t18-,28-
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533130
PNG
(CHEMBL4443683)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@H](O)C3)cc(NC3CCCC3)nc12 |r,wU:20.21,wD:22.24,(27.45,-12.4,;28.52,-11.29,;28.09,-9.81,;29.16,-8.7,;30.65,-9.06,;31.09,-10.54,;30.02,-11.66,;30.45,-13.14,;29.38,-14.25,;31.95,-13.5,;33.01,-12.39,;34.49,-11.95,;33.37,-10.89,;28.73,-7.23,;29.68,-6.01,;28.81,-4.74,;27.33,-5.17,;26.03,-4.37,;26.08,-2.83,;24.77,-2.02,;23.41,-2.74,;22.97,-4.23,;21.5,-3.78,;20.14,-4.51,;21.94,-2.31,;24.68,-5.09,;24.63,-6.63,;23.28,-7.37,;23.24,-8.91,;21.97,-9.77,;22.4,-11.25,;23.94,-11.29,;24.46,-9.84,;25.94,-7.43,;27.28,-6.71,)|
Show InChI InChI=1S/C27H34N6O2/c1-16-10-18(6-9-22(16)27(35)31-20-7-8-20)23-15-29-33-25(28-14-17-11-21(34)12-17)13-24(32-26(23)33)30-19-4-2-3-5-19/h6,9-10,13,15,17,19-21,28,34H,2-5,7-8,11-12,14H2,1H3,(H,30,32)(H,31,35)/t17-,21-
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081605
PNG
(CHEMBL3422077)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ccc(cc1)-c1n[nH]c3ccc(cc13)C(=O)NC(C1CCC1)c1ccsc1)N2C=O |r|
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...

J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533131
PNG
(CHEMBL4453553)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)cc(Oc3ccccc3)nc12
Show InChI InChI=1S/C29H31N5O3/c1-19-15-21(7-10-24(19)29(35)32-22-8-9-22)25-18-31-34-26(30-17-20-11-13-36-14-12-20)16-27(33-28(25)34)37-23-5-3-2-4-6-23/h2-7,10,15-16,18,20,22,30H,8-9,11-14,17H2,1H3,(H,32,35)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533131
PNG
(CHEMBL4453553)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)cc(Oc3ccccc3)nc12
Show InChI InChI=1S/C29H31N5O3/c1-19-15-21(7-10-24(19)29(35)32-22-8-9-22)25-18-31-34-26(30-17-20-11-13-36-14-12-20)16-27(33-28(25)34)37-23-5-3-2-4-6-23/h2-7,10,15-16,18,20,22,30H,8-9,11-14,17H2,1H3,(H,32,35)
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n/an/a 2.5n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50081551
PNG
(CHEMBL3422062)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CC1)c1ccccc1
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n/an/a 2.60n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...

J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50183027
PNG
(CHEMBL3817905)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCCCC3)nc12
Show InChI InChI=1S/C28H37N7O2/c1-18-15-20(7-10-23(18)26(36)31-22-8-9-22)24-17-30-35-25(24)33-27(32-21-5-3-2-4-6-21)34-28(35)29-16-19-11-13-37-14-12-19/h7,10,15,17,19,21-22H,2-6,8-9,11-14,16H2,1H3,(H,31,36)(H2,29,32,33,34)
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n/an/a 2.60n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)

Bioorg Med Chem Lett 26: 3562-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.021
BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533135
PNG
(CHEMBL4436045)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(NC3CCCC3)nc12 |r,wU:20.21,22.25,(45.16,-13.51,;46.22,-12.4,;45.79,-10.92,;46.86,-9.81,;48.35,-10.18,;48.79,-11.65,;47.72,-12.77,;48.15,-14.25,;47.09,-15.36,;49.65,-14.61,;50.71,-13.5,;52.19,-13.06,;51.07,-12,;46.43,-8.34,;47.38,-7.13,;46.51,-5.85,;45.03,-6.29,;43.73,-5.48,;43.78,-3.94,;42.47,-3.13,;41.11,-3.86,;40.67,-5.33,;39.19,-4.88,;37.65,-4.88,;38.41,-6.21,;39.64,-3.41,;42.38,-6.2,;42.33,-7.74,;40.98,-8.48,;40.94,-10.02,;39.68,-10.89,;40.11,-12.37,;41.65,-12.41,;42.17,-10.96,;43.64,-8.55,;44.98,-7.82,)|
Show InChI InChI=1S/C28H36N6O2/c1-17-11-19(7-10-22(17)27(35)32-21-8-9-21)23-16-30-34-25(29-15-18-13-28(2,36)14-18)12-24(33-26(23)34)31-20-5-3-4-6-20/h7,10-12,16,18,20-21,29,36H,3-6,8-9,13-15H2,1-2H3,(H,31,33)(H,32,35)/t18-,28+
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n/an/a 2.60n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50533135
PNG
(CHEMBL4436045)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(NC3CCCC3)nc12 |r,wU:20.21,22.25,(45.16,-13.51,;46.22,-12.4,;45.79,-10.92,;46.86,-9.81,;48.35,-10.18,;48.79,-11.65,;47.72,-12.77,;48.15,-14.25,;47.09,-15.36,;49.65,-14.61,;50.71,-13.5,;52.19,-13.06,;51.07,-12,;46.43,-8.34,;47.38,-7.13,;46.51,-5.85,;45.03,-6.29,;43.73,-5.48,;43.78,-3.94,;42.47,-3.13,;41.11,-3.86,;40.67,-5.33,;39.19,-4.88,;37.65,-4.88,;38.41,-6.21,;39.64,-3.41,;42.38,-6.2,;42.33,-7.74,;40.98,-8.48,;40.94,-10.02,;39.68,-10.89,;40.11,-12.37,;41.65,-12.41,;42.17,-10.96,;43.64,-8.55,;44.98,-7.82,)|
Show InChI InChI=1S/C28H36N6O2/c1-17-11-19(7-10-22(17)27(35)32-21-8-9-21)23-16-30-34-25(29-15-18-13-28(2,36)14-18)12-24(33-26(23)34)31-20-5-3-4-6-20/h7,10-12,16,18,20-21,29,36H,3-6,8-9,13-15H2,1-2H3,(H,31,33)(H,32,35)/t18-,28+
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n/an/a 2.60n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...

ACS Med Chem Lett 7: 671-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
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