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Compile Data Set for Download or QSAR

Found 1207 hits with Last Name = 'edwards' and Initial = 'lg'   
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))
BDBM50386816
PNG
(CHEMBL2047943)
Show SMILES Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1
Show InChI InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)
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n/an/a 1.80n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053304
PNG
(CHEMBL3330410)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12
Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31)
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n/an/a 2.90n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053306
PNG
(CHEMBL3330260)
Show SMILES CCc1cccc(CC)c1NC(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C24H25N5O3S/c1-3-15-7-5-8-16(4-2)22(15)27-24(30)26-18-11-12-21-20(14-18)23(29-28-21)17-9-6-10-19(13-17)33(25,31)32/h5-14H,3-4H2,1-2H3,(H,28,29)(H2,25,31,32)(H2,26,27,30)
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n/an/a 3.5n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053305
PNG
(CHEMBL3330409)
Show SMILES CCc1ccccc1C(N(C)C)C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H27N5O3S/c1-4-16-8-5-6-11-20(16)24(30(2)3)25(31)27-18-12-13-22-21(15-18)23(29-28-22)17-9-7-10-19(14-17)34(26,32)33/h5-15,24H,4H2,1-3H3,(H,27,31)(H,28,29)(H2,26,32,33)
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n/an/a 3.60n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053363
PNG
(CHEMBL3330282)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CC1)c1ccsc1
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n/an/a 4n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053374
PNG
(CHEMBL3330407)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccccc3)cc12
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n/an/a 8.90n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50433903
PNG
(CHEMBL2380586)
Show SMILES Cn1cc(cn1)-c1cc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2cc1NC1CCCCC1
Show InChI InChI=1S/C23H26N6O2S/c1-29-14-16(13-25-29)19-11-22-20(12-21(19)26-17-7-3-2-4-8-17)23(28-27-22)15-6-5-9-18(10-15)32(24,30)31/h5-6,9-14,17,26H,2-4,7-8H2,1H3,(H,27,28)(H2,24,30,31)
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n/an/a 10n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053375
PNG
(CHEMBL3330408)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCCC3)c3ccccc3)cc12
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n/an/a 10n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053372
PNG
(CHEMBL3330405)
Show SMILES CN(C)[C@H](C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1)c1ccccc1 |r|
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n/an/a 11n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053371
PNG
(CHEMBL3329232)
Show SMILES CN(C)C(C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1)c1ccccc1
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n/an/a 12n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053370
PNG
(CHEMBL3330404)
Show SMILES CCOC(C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1)c1ccccc1
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n/an/a 14n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053373
PNG
(CHEMBL3330406)
Show SMILES CN(C)[C@@H](C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1)c1ccccc1 |r|
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n/an/a 15n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053362
PNG
(CHEMBL3330281)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CC1)c1ccccc1
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n/an/a 16n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053329
PNG
(CHEMBL3330256)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)Cc3cccs3)cc12
Show InChI InChI=1S/C19H16N4O3S2/c20-28(25,26)15-5-1-3-12(9-15)19-16-10-13(6-7-17(16)22-23-19)21-18(24)11-14-4-2-8-27-14/h1-10H,11H2,(H,21,24)(H,22,23)(H2,20,25,26)
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n/an/a 16n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053346
PNG
(CHEMBL3330274)
Show SMILES CCc1cccc(CC)c1CC(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H26N4O3S/c1-3-16-7-5-8-17(4-2)21(16)15-24(30)27-19-11-12-23-22(14-19)25(29-28-23)18-9-6-10-20(13-18)33(26,31)32/h5-14H,3-4,15H2,1-2H3,(H,27,30)(H,28,29)(H2,26,31,32)
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n/an/a 17n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053344
PNG
(CHEMBL3330272)
Show SMILES Cc1ccccc1CNC(=O)c1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H20N4O3S/c1-14-5-2-3-6-17(14)13-24-22(27)16-9-10-20-19(12-16)21(26-25-20)15-7-4-8-18(11-15)30(23,28)29/h2-12H,13H2,1H3,(H,24,27)(H,25,26)(H2,23,28,29)
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n/an/a 18n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053360
PNG
(CHEMBL3330279)
Show SMILES CCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1)c1ccccc1
Show InChI InChI=1S/C23H22N4O3S/c1-2-19(15-7-4-3-5-8-15)23(28)25-17-11-12-21-20(14-17)22(27-26-21)16-9-6-10-18(13-16)31(24,29)30/h3-14,19H,2H2,1H3,(H,25,28)(H,26,27)(H2,24,29,30)
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n/an/a 24n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053345
PNG
(CHEMBL3330273)
Show SMILES Cc1ccccc1CC(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H20N4O3S/c1-14-5-2-3-6-15(14)12-21(27)24-17-9-10-20-19(13-17)22(26-25-20)16-7-4-8-18(11-16)30(23,28)29/h2-11,13H,12H2,1H3,(H,24,27)(H,25,26)(H2,23,28,29)
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n/an/a 25n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053368
PNG
(CHEMBL3330402)
Show SMILES CO[C@H](C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1)c1ccccc1 |r|
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PubMed
n/an/a 26n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053367
PNG
(CHEMBL3330401)
Show SMILES COC(C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1)c1ccccc1
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n/an/a 26n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053369
PNG
(CHEMBL3330403)
Show SMILES CO[C@@H](C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1)c1ccccc1 |r|
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PubMed
n/an/a 30n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053337
PNG
(CHEMBL3330265)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(cc12)C(=O)NCc1cccs1
Show InChI InChI=1S/C19H16N4O3S2/c20-28(25,26)15-5-1-3-12(9-15)18-16-10-13(6-7-17(16)22-23-18)19(24)21-11-14-4-2-8-27-14/h1-10H,11H2,(H,21,24)(H,22,23)(H2,20,25,26)
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n/an/a 33n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50446445
PNG
(CHEMBL2140523)
Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2n(C)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C24H32N6O3/c1-28-12-10-17(11-13-28)33-18-8-9-19(21(14-18)32-3)26-23-25-15-20-22(27-23)30(24(31)29(20)2)16-6-4-5-7-16/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,25,26,27)
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n/an/a 35n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053358
PNG
(CHEMBL3330278)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(cc12)C(=O)NC1(CC1)c1ccccc1
Show InChI InChI=1S/C23H20N4O3S/c24-31(29,30)18-8-4-5-15(13-18)21-19-14-16(9-10-20(19)26-27-21)22(28)25-23(11-12-23)17-6-2-1-3-7-17/h1-10,13-14H,11-12H2,(H,25,28)(H,26,27)(H2,24,29,30)
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n/an/a 35n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053328
PNG
(CHEMBL3330255)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)Cc3ccccc3)cc12
Show InChI InChI=1S/C21H18N4O3S/c22-29(27,28)17-8-4-7-15(12-17)21-18-13-16(9-10-19(18)24-25-21)23-20(26)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,23,26)(H,24,25)(H2,22,27,28)
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n/an/a 39n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053361
PNG
(CHEMBL3330280)
Show SMILES CC(C)C(C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1)c1ccccc1
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n/an/a 46n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053366
PNG
(CHEMBL3330285)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CCCCC1)c1ccccc1
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n/an/a 47n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053364
PNG
(CHEMBL3330283)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(C3CCCC3)c3ccccc3)cc12
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n/an/a 53n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053348
PNG
(CHEMBL3330276)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(cc12)C(=O)NC1(CCNCC1)c1ccccc1
Show InChI InChI=1S/C25H25N5O3S/c26-34(32,33)20-8-4-5-17(15-20)23-21-16-18(9-10-22(21)29-30-23)24(31)28-25(11-13-27-14-12-25)19-6-2-1-3-7-19/h1-10,15-16,27H,11-14H2,(H,28,31)(H,29,30)(H2,26,32,33)
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n/an/a 58n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053365
PNG
(CHEMBL3330284)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(C3CCCCC3)c3ccccc3)cc12
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n/an/a 61n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


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



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50053305
PNG
(CHEMBL3330409)
Show SMILES CCc1ccccc1C(N(C)C)C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H27N5O3S/c1-4-16-8-5-6-11-20(16)24(30(2)3)25(31)27-18-12-13-22-21(15-18)23(29-28-22)17-9-7-10-19(14-17)34(26,32)33/h5-15,24H,4H2,1-3H3,(H,27,31)(H,28,29)(H2,26,32,33)
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n/an/a 83n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PLK4 (1-391 residues) phosphorylation by ELISA


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50053304
PNG
(CHEMBL3330410)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12
Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31)
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n/an/a 89n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PLK4 (1-391 residues) phosphorylation by ELISA


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053342
PNG
(CHEMBL3330270)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)Cc3ccccn3)cc12
Show InChI InChI=1S/C20H17N5O3S/c21-29(27,28)16-6-3-4-13(10-16)20-17-11-15(7-8-18(17)24-25-20)23-19(26)12-14-5-1-2-9-22-14/h1-11H,12H2,(H,23,26)(H,24,25)(H2,21,27,28)
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n/an/a 90n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053336
PNG
(CHEMBL3330264)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(cc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H18N4O3S/c22-29(27,28)17-8-4-7-15(11-17)20-18-12-16(9-10-19(18)24-25-20)21(26)23-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,23,26)(H,24,25)(H2,22,27,28)
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n/an/a 90n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50053304
PNG
(CHEMBL3330410)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12
Show InChI InChI=1S/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31)
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n/an/a 100n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CHK2 (unknown origin) by FRET-based homogenous assay


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375433
PNG
(US9907800, Example A145)
Show SMILES COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)C#Cc3ccc(CN4CCN(C)CC4)cc3)c2c1 |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375434
PNG
(US10358436, Example A146 | US9907800, Example A146)
Show SMILES CCN(CC)Cc1c(F)cc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)cc1F |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375434
PNG
(US10358436, Example A146 | US9907800, Example A146)
Show SMILES CCN(CC)Cc1c(F)cc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)cc1F |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044670
PNG
(CHEMBL3353359 | US10358436, Example A147 | US99078...)
Show SMILES CN1CCN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)CC1 |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375436
PNG
(US10358436, Example A148 | US9907800, Example A148)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)C(=O)N3CCN(C)CC3)c2c1 |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375437
PNG
(US9907800, Example A149)
Show SMILES COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1 |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044659
PNG
(CHEMBL3353343 | US10358436, Example A150 | US99078...)
Show SMILES Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cn1 |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50044659
PNG
(CHEMBL3353343 | US10358436, Example A150 | US99078...)
Show SMILES Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cn1 |r|
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The Scripps Research Institute



Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073545
PNG
(CHEMBL3408949 | US10358436, Example A151 | US99078...)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3cccc(CN4CCOCC4)c3)n[nH]c2c1 |r|
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The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50073545
PNG
(CHEMBL3408949 | US10358436, Example A151 | US99078...)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3cccc(CN4CCOCC4)c3)n[nH]c2c1 |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Aurora A inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50073545
PNG
(CHEMBL3408949 | US10358436, Example A151 | US99078...)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3cccc(CN4CCOCC4)c3)n[nH]c2c1 |r|
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The Scripps Research Institute



Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375440
PNG
(US10358436, Example A152 | US9907800, Example A152)
Show SMILES O=C1Nc2ccccc2[C@]11CC1c1ccc2c(\C=C\c3cccc(CN4CCOCC4)c3)n[nH]c2c1 |r|
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The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375443
PNG
(US10358436, Example A154 | US9907800, Example A154)
Show SMILES O=C1Nc2ccccc2[C@]11CC1c1ccc2c(n[nH]c2c1)-c1ccc(CN2CCOCC2)cc1 |r|
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The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375444
PNG
(US9907800, Example A155)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2n[nH]c3cc(ccc23)C2C[C@@]22C(=O)Nc3ccccc23)CC1 |r|
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2KD216W
More data for this
Ligand-Target Pair
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