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PubMed code 25043312

Compile data set for download or QSAR
Found 104 hits of Enzyme Inhibition Constant Data   
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
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
Show InChI InChI=1S/C22H20N4O3S2/c23-31(28,29)17-3-1-2-14(10-17)21-18-11-15(6-7-19(18)25-26-21)22(27)24-20(13-4-5-13)16-8-9-30-12-16/h1-3,6-13,20H,4-5H2,(H,24,27)(H,25,26)(H2,23,28,29)
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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
Show InChI InChI=1S/C25H25N5O3S/c26-34(32,33)20-10-6-9-18(15-20)23-21-16-19(11-12-22(21)28-29-23)27-25(31)24(30-13-4-5-14-30)17-7-2-1-3-8-17/h1-3,6-12,15-16,24H,4-5,13-14H2,(H,27,31)(H,28,29)(H2,26,32,33)
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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
Show InChI InChI=1S/C26H27N5O3S/c27-35(33,34)21-11-7-10-19(16-21)24-22-17-20(12-13-23(22)29-30-24)28-26(32)25(18-8-3-1-4-9-18)31-14-5-2-6-15-31/h1,3-4,7-13,16-17,25H,2,5-6,14-15H2,(H,28,32)(H,29,30)(H2,27,33,34)
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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
Show InChI InChI=1S/C23H23N5O3S/c1-28(2)22(15-7-4-3-5-8-15)23(29)25-17-11-12-20-19(14-17)21(27-26-20)16-9-6-10-18(13-16)32(24,30)31/h3-14,22H,1-2H3,(H,25,29)(H,26,27)(H2,24,30,31)/t22-/m0/s1
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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
Show InChI InChI=1S/C23H23N5O3S/c1-28(2)22(15-7-4-3-5-8-15)23(29)25-17-11-12-20-19(14-17)21(27-26-20)16-9-6-10-18(13-16)32(24,30)31/h3-14,22H,1-2H3,(H,25,29)(H,26,27)(H2,24,30,31)
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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
Show InChI InChI=1S/C23H22N4O4S/c1-2-31-22(15-7-4-3-5-8-15)23(28)25-17-11-12-20-19(14-17)21(27-26-20)16-9-6-10-18(13-16)32(24,29)30/h3-14,22H,2H2,1H3,(H,25,28)(H,26,27)(H2,24,29,30)
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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
Show InChI InChI=1S/C23H23N5O3S/c1-28(2)22(15-7-4-3-5-8-15)23(29)25-17-11-12-20-19(14-17)21(27-26-20)16-9-6-10-18(13-16)32(24,30)31/h3-14,22H,1-2H3,(H,25,29)(H,26,27)(H2,24,30,31)/t22-/m1/s1
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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
Show InChI InChI=1S/C24H22N4O3S/c25-32(30,31)19-8-4-7-17(13-19)23-20-14-18(11-12-21(20)27-28-23)24(29)26-22(16-9-10-16)15-5-2-1-3-6-15/h1-8,11-14,16,22H,9-10H2,(H,26,29)(H,27,28)(H2,25,30,31)
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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
Show InChI InChI=1S/C22H20N4O4S/c1-30-21(14-6-3-2-4-7-14)22(27)24-16-10-11-19-18(13-16)20(26-25-19)15-8-5-9-17(12-15)31(23,28)29/h2-13,21H,1H3,(H,24,27)(H,25,26)(H2,23,28,29)/t21-/m0/s1
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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))
BDBM50053367
PNG
(CHEMBL3330401)
Show SMILES COC(C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1)c1ccccc1
Show InChI InChI=1S/C22H20N4O4S/c1-30-21(14-6-3-2-4-7-14)22(27)24-16-10-11-19-18(13-16)20(26-25-19)15-8-5-9-17(12-15)31(23,28)29/h2-13,21H,1H3,(H,24,27)(H,25,26)(H2,23,28,29)
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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
Show InChI InChI=1S/C22H20N4O4S/c1-30-21(14-6-3-2-4-7-14)22(27)24-16-10-11-19-18(13-16)20(26-25-19)15-8-5-9-17(12-15)31(23,28)29/h2-13,21H,1H3,(H,24,27)(H,25,26)(H2,23,28,29)/t21-/m1/s1
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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))
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))
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))
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
Show InChI InChI=1S/C24H24N4O3S/c1-15(2)22(16-7-4-3-5-8-16)24(29)26-18-11-12-21-20(14-18)23(28-27-21)17-9-6-10-19(13-17)32(25,30)31/h3-15,22H,1-2H3,(H,26,29)(H,27,28)(H2,25,30,31)
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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
Show InChI InChI=1S/C27H28N4O3S/c28-35(33,34)22-13-7-12-20(16-22)26-23-17-21(14-15-24(23)30-31-26)27(32)29-25(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1,3-4,7-9,12-17,19,25H,2,5-6,10-11H2,(H,29,32)(H,30,31)(H2,28,33,34)
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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
Show InChI InChI=1S/C26H26N4O3S/c27-34(32,33)21-12-6-11-19(15-21)25-22-16-20(13-14-23(22)29-30-25)28-26(31)24(18-9-4-5-10-18)17-7-2-1-3-8-17/h1-3,6-8,11-16,18,24H,4-5,9-10H2,(H,28,31)(H,29,30)(H2,27,32,33)
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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
Show InChI InChI=1S/C27H28N4O3S/c28-35(33,34)22-13-7-12-20(16-22)26-23-17-21(14-15-24(23)30-31-26)29-27(32)25(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1,3-4,7-9,12-17,19,25H,2,5-6,10-11H2,(H,29,32)(H,30,31)(H2,28,33,34)
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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)
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)
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)
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 130n/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))
BDBM50053338
PNG
(CHEMBL3330266)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H20N4O3S/c1-26(14-15-6-3-2-4-7-15)22(27)17-10-11-20-19(13-17)21(25-24-20)16-8-5-9-18(12-16)30(23,28)29/h2-13H,14H2,1H3,(H,24,25)(H2,23,28,29)
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n/an/a 250n/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))
BDBM50053323
PNG
(CHEMBL3330250)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)c3cccs3)cc12
Show InChI InChI=1S/C18H14N4O3S2/c19-27(24,25)13-4-1-3-11(9-13)17-14-10-12(6-7-15(14)21-22-17)20-18(23)16-5-2-8-26-16/h1-10H,(H,20,23)(H,21,22)(H2,19,24,25)
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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))
BDBM50053349
PNG
(CHEMBL3330277)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C3(CC3)c3ccccc3)cc12
Show InChI InChI=1S/C23H20N4O3S/c24-31(29,30)18-8-4-5-15(13-18)21-19-14-17(9-10-20(19)26-27-21)25-22(28)23(11-12-23)16-6-2-1-3-7-16/h1-10,13-14H,11-12H2,(H,25,28)(H,26,27)(H2,24,29,30)
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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))
BDBM50053331
PNG
(CHEMBL3330258)
Show SMILES Cc1cccc(CS(=O)(=O)Nc2ccc3[nH]nc(-c4cccc(c4)S(N)(=O)=O)c3c2)c1
Show InChI InChI=1S/C21H20N4O4S2/c1-14-4-2-5-15(10-14)13-30(26,27)25-17-8-9-20-19(12-17)21(24-23-20)16-6-3-7-18(11-16)31(22,28)29/h2-12,25H,13H2,1H3,(H,23,24)(H2,22,28,29)
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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))
BDBM50053330
PNG
(CHEMBL3330257)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3cccs3)cc12
Show InChI InChI=1S/C17H14N4O4S3/c18-27(22,23)13-4-1-3-11(9-13)17-14-10-12(6-7-15(14)19-20-17)21-28(24,25)16-5-2-8-26-16/h1-10,21H,(H,19,20)(H2,18,22,23)
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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))
BDBM50053343
PNG
(CHEMBL3330271)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)Cc3ccncc3)cc12
Show InChI InChI=1S/C20H17N5O3S/c21-29(27,28)16-3-1-2-14(11-16)20-17-12-15(4-5-18(17)24-25-20)23-19(26)10-13-6-8-22-9-7-13/h1-9,11-12H,10H2,(H,23,26)(H,24,25)(H2,21,27,28)
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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))
BDBM50053315
PNG
(CHEMBL3330411)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C27H32N6O4S/c1-17(2)38(35,36)24-7-5-4-6-22(24)29-26-20-10-13-28-25(20)31-27(32-26)30-21-9-8-18(16-23(21)37-3)33-14-11-19(34)12-15-33/h4-10,13,16-17,19,34H,11-12,14-15H2,1-3H3,(H3,28,29,30,31,32)
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n/an/a 370n/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))
BDBM50053327
PNG
(CHEMBL3330254)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(OCCc3cccs3)cc12
Show InChI InChI=1S/C19H17N3O3S2/c20-27(23,24)16-5-1-3-13(11-16)19-17-12-14(6-7-18(17)21-22-19)25-9-8-15-4-2-10-26-15/h1-7,10-12H,8-9H2,(H,21,22)(H2,20,23,24)
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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))
BDBM50053332
PNG
(CHEMBL3330259)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)Nc3ccccc3)cc12
Show InChI InChI=1S/C20H17N5O3S/c21-29(27,28)16-8-4-5-13(11-16)19-17-12-15(9-10-18(17)24-25-19)23-20(26)22-14-6-2-1-3-7-14/h1-12H,(H,24,25)(H2,21,27,28)(H2,22,23,26)
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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
Aurora kinase A


(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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University Health Network

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (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 Chk2


(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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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 Chk2


(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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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
Aurora kinase B


(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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University Health Network

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053339
PNG
(CHEMBL3330267)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(CNC(=O)c3ccccc3)cc12
Show InChI InChI=1S/C21H18N4O3S/c22-29(27,28)17-8-4-7-16(12-17)20-18-11-14(9-10-19(18)24-25-20)13-23-21(26)15-5-2-1-3-6-15/h1-12H,13H2,(H,23,26)(H,24,25)(H2,22,27,28)
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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))
BDBM50053326
PNG
(CHEMBL3330253)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C20H17N3O3S/c21-27(24,25)17-8-4-7-15(11-17)20-18-12-16(9-10-19(18)22-23-20)26-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23)(H2,21,24,25)
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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))
BDBM50053320
PNG
(CHEMBL3330247)
Show SMILES COc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C14H13N3O3S/c1-20-10-5-6-13-12(8-10)14(17-16-13)9-3-2-4-11(7-9)21(15,18)19/h2-8H,1H3,(H,16,17)(H2,15,18,19)
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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))
BDBM50053321
PNG
(CHEMBL3330248)
Show SMILES CC(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C15H14N4O3S/c1-9(20)17-11-5-6-14-13(8-11)15(19-18-14)10-3-2-4-12(7-10)23(16,21)22/h2-8H,1H3,(H,17,20)(H,18,19)(H2,16,21,22)
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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
Cytochrome P450 3A


(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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University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in supersomes (unknown origin) using 7-benzyloxy-4-trifluoromethylcoumarin as substrate after 30 mins


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))
BDBM50053334
PNG
(CHEMBL3330262)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)Nc3ccccc3)cc12
Show InChI InChI=1S/C19H17N5O4S2/c20-29(25,26)16-8-4-5-13(11-16)19-17-12-15(9-10-18(17)21-22-19)24-30(27,28)23-14-6-2-1-3-7-14/h1-12,23-24H,(H,21,22)(H2,20,25,26)
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n/an/a 710n/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
Aurora kinase B


(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 720n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (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
Aurora kinase A


(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 900n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (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
Cytochrome P450 2C9


(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 900n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in supersomes (unknown origin) using MFC as substrate after 30 mins


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))
BDBM50053341
PNG
(CHEMBL3330269)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)CCc3ccccc3)cc12
Show InChI InChI=1S/C22H20N4O3S/c23-30(28,29)18-8-4-7-16(13-18)22-19-14-17(10-11-20(19)25-26-22)24-21(27)12-9-15-5-2-1-3-6-15/h1-8,10-11,13-14H,9,12H2,(H,24,27)(H,25,26)(H2,23,28,29)
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n/an/a 980n/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
Cytochrome P450 3A


(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>1.00E+3n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in supersomes (unknown origin) using Dibenzylfluorescein as substrate after 10 mins


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
Cytochrome P450 3A


(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 1.00E+3n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in supersomes (unknown origin) using 7-benzyloxy-4-trifluoromethylcoumarin as substrate after 30 mins


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
Cytochrome P450 2C19


(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>1.00E+3n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in supersomes (unknown origin) using MFC as substrate after 30 mins


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))
BDBM50053316
PNG
(CHEMBL3330243)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2cccc(-c3c(F)cccc3F)c12
Show InChI InChI=1S/C19H13F2N3O2S/c20-14-7-3-8-15(21)17(14)13-6-2-9-16-18(13)19(24-23-16)11-4-1-5-12(10-11)27(22,25)26/h1-10H,(H,23,24)(H2,22,25,26)
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n/an/a 1.40E+3n/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))
BDBM50053310
PNG
(CHEMBL3330238)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C13H11N3O2S/c14-19(17,18)10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)15-16-13/h1-8H,(H,15,16)(H2,14,17,18)
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n/an/a 1.60E+3n/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
Cytochrome P450 2C9


(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 1.70E+3n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in supersomes (unknown origin) using MFC as substrate after 30 mins


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))
BDBM50053311
PNG
(CHEMBL3330239)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2cccc(Cl)c12
Show InChI InChI=1S/C13H10ClN3O2S/c14-10-5-2-6-11-12(10)13(17-16-11)8-3-1-4-9(7-8)20(15,18)19/h1-7H,(H,16,17)(H2,15,18,19)
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n/an/a 1.80E+3n/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))
BDBM50053311
PNG
(CHEMBL3330239)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2cccc(Cl)c12
Show InChI InChI=1S/C13H10ClN3O2S/c14-10-5-2-6-11-12(10)13(17-16-11)8-3-1-4-9(7-8)20(15,18)19/h1-7H,(H,16,17)(H2,15,18,19)
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n/an/a 1.90E+3n/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))
BDBM50053319
PNG
(CHEMBL3330246)
Show SMILES COc1cccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c12
Show InChI InChI=1S/C14H13N3O3S/c1-20-12-7-3-6-11-13(12)14(17-16-11)9-4-2-5-10(8-9)21(15,18)19/h2-8H,1H3,(H,16,17)(H2,15,18,19)
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n/an/a 2.30E+3n/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
Cytochrome P450 2C19


(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 2.30E+3n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in supersomes (unknown origin) using MFC as substrate after 30 mins


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
Aurora kinase B


(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 2.40E+3n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50024294
PNG
(SP-600125)
Show SMILES Oc1c2cccc3N=Nc(c23)c2ccccc12
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7,17H
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n/an/a 2.50E+3n/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
Cytochrome P450 2C9


(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 2.50E+3n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in supersomes (unknown origin) using MFC as substrate after 30 mins


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))
BDBM50053335
PNG
(CHEMBL3330263)
Show SMILES CCc1cccc(CC)c1NS(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H25N5O4S2/c1-3-15-7-5-8-16(4-2)22(15)28-34(31,32)27-18-11-12-21-20(14-18)23(26-25-21)17-9-6-10-19(13-17)33(24,29)30/h5-14,27-28H,3-4H2,1-2H3,(H,25,26)(H2,24,29,30)
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n/an/a 2.60E+3n/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))
BDBM50053310
PNG
(CHEMBL3330238)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C13H11N3O2S/c14-19(17,18)10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)15-16-13/h1-8H,(H,15,16)(H2,14,17,18)
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n/an/a 2.60E+3n/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
Cytochrome P450 3A


(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 2.90E+3n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in supersomes (unknown origin) using Dibenzylfluorescein as substrate after 10 mins


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
Cytochrome P450 3A


(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 4.00E+3n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in supersomes (unknown origin) using 7-benzyloxy-4-trifluoromethylcoumarin as substrate after 30 mins


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))
BDBM50053317
PNG
(CHEMBL3330244)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H15N3O2S/c20-25(23,24)16-8-4-7-15(11-16)19-17-12-14(9-10-18(17)21-22-19)13-5-2-1-3-6-13/h1-12H,(H,21,22)(H2,20,23,24)
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n/an/a 4.30E+3n/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))
BDBM50053324
PNG
(CHEMBL3330251)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2cc(NC(=O)c3cccs3)ccc12
Show InChI InChI=1S/C18H14N4O3S2/c19-27(24,25)13-4-1-3-11(9-13)17-14-7-6-12(10-15(14)21-22-17)20-18(23)16-5-2-8-26-16/h1-10H,(H,20,23)(H,21,22)(H2,19,24,25)
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n/an/a 4.30E+3n/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))
BDBM50053307
PNG
(CHEMBL3330412)
Show SMILES N#Cc1ccc2c(\C=C\c3ccncc3)n[nH]c2c1
Show InChI InChI=1S/C15H10N4/c16-10-12-1-3-13-14(18-19-15(13)9-12)4-2-11-5-7-17-8-6-11/h1-9H,(H,18,19)/b4-2+
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n/an/a 5.00E+3n/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))
BDBM50053340
PNG
(CHEMBL3330268)
Show SMILES Cc1ccccc1NC(=O)Cc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H20N4O3S/c1-14-5-2-3-8-19(14)24-21(27)12-15-9-10-20-18(11-15)22(26-25-20)16-6-4-7-17(13-16)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>5.00E+3n/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
Cytochrome P450 2D6 (2D6)


(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 5.00E+3n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in supersomes (unknown origin) using AMMC as substrate after 30 mins


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
Cytochrome P450 2C19


(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 5.30E+3n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in supersomes (unknown origin) using MFC as substrate after 30 mins


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))
BDBM50053318
PNG
(CHEMBL3330245)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C19H15N3O2S/c20-25(23,24)16-8-4-7-15(11-16)19-17-10-9-14(12-18(17)21-22-19)13-5-2-1-3-6-13/h1-12H,(H,21,22)(H2,20,23,24)
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n/an/a 5.40E+3n/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
Cytochrome P450 1A


(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>1.00E+4n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in supersomes (unknown origin) using CEC as substrate after 30 mins


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
Cytochrome P450 1A


(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>1.00E+4n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in supersomes (unknown origin) using CEC as substrate after 30 mins


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
Cytochrome P450 2D6 (2D6)


(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 1.00E+4n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in supersomes (unknown origin) using AMMC as substrate after 30 mins


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 PLK2


(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 1.00E+4n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of PLK2 (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
Cytochrome P450 3A


(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 1.00E+4n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in supersomes (unknown origin) using Dibenzylfluorescein as substrate after 10 mins


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
Cytochrome P450 1A


(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>1.00E+4n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in supersomes (unknown origin) using CEC as substrate after 30 mins


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
Cytochrome P450 2D6 (2D6)


(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>1.00E+4n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in supersomes (unknown origin) using AMMC as substrate after 30 mins


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))
BDBM50053325
PNG
(CHEMBL3330252)
Show SMILES CNC(=O)c1ccc2c(n[nH]c2c1)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O3S/c1-17-15(20)10-5-6-12-13(8-10)18-19-14(12)9-3-2-4-11(7-9)23(16,21)22/h2-8H,1H3,(H,17,20)(H,18,19)(H2,16,21,22)
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n/an/a 1.10E+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))
BDBM50053308
PNG
(CHEMBL3330413)
Show SMILES O=Cc1ccc2c(n[nH]c2c1)-c1cccnc1
Show InChI InChI=1S/C13H9N3O/c17-8-9-3-4-11-12(6-9)15-16-13(11)10-2-1-5-14-7-10/h1-8H,(H,15,16)
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n/an/a 1.20E+4n/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))
BDBM50053309
PNG
(CHEMBL315708)
Show SMILES c1ccc(cc1)-c1[nH]nc2ccccc12
Show InChI InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13/h1-9H,(H,14,15)
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n/an/a 1.20E+4n/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))
BDBM50053313
PNG
(CHEMBL3330241)
Show SMILES NC(=O)c1cccc(c1)-c1n[nH]c2cccc(Cl)c12
Show InChI InChI=1S/C14H10ClN3O/c15-10-5-2-6-11-12(10)13(18-17-11)8-3-1-4-9(7-8)14(16)19/h1-7H,(H2,16,19)(H,17,18)
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n/an/a 1.70E+4n/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))
BDBM50053312
PNG
(CHEMBL3330240)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1n[nH]c2cccc(Cl)c12
Show InChI InChI=1S/C13H10ClN3O2S/c14-10-2-1-3-11-12(10)13(17-16-11)8-4-6-9(7-5-8)20(15,18)19/h1-7H,(H,16,17)(H2,15,18,19)
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n/an/a 1.80E+4n/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))
BDBM50053322
PNG
(CHEMBL3330249)
Show SMILES CC(=O)Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O3S/c1-9(20)17-11-5-6-13-14(8-11)18-19-15(13)10-3-2-4-12(7-10)23(16,21)22/h2-8H,1H3,(H,17,20)(H,18,19)(H2,16,21,22)
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n/an/a 1.80E+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
Serine/threonine-protein kinase PLK1


(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>5.00E+4n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053314
PNG
(CHEMBL3330242)
Show SMILES NCc1cccc(c1)-c1n[nH]c2cccc(Cl)c12
Show InChI InChI=1S/C14H12ClN3/c15-11-5-2-6-12-13(11)14(18-17-12)10-4-1-3-9(7-10)8-16/h1-7H,8,16H2,(H,17,18)
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n/an/a>5.00E+4n/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))
BDBM50053333
PNG
(CHEMBL3330261)
Show SMILES CCc1cccc(CC)c1NC(=O)N(C)c1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C25H27N5O3S/c1-4-16-8-6-9-17(5-2)23(16)27-25(31)30(3)19-12-13-22-21(15-19)24(29-28-22)18-10-7-11-20(14-18)34(26,32)33/h6-15H,4-5H2,1-3H3,(H,27,31)(H,28,29)(H2,26,32,33)
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n/an/a>5.00E+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
Serine/threonine-protein kinase PLK3


(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>5.00E+4n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of PLK3 (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 PLK1


(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>5.00E+4n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (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
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/an/an/a 420n/an/an/an/a



University Health Network

Curated by ChEMBL


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


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
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/an/an/a 520n/an/an/an/a



University Health Network

Curated by ChEMBL


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


Bioorg Med Chem 22: 4968-97 (2014)


Article DOI: 10.1016/j.bmc.2014.06.027
BindingDB Entry DOI: 10.7270/Q2K35WB2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%