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Compile Data Set for Download or QSAR

Found 1702 hits with Last Name = 'patel' and Initial = 'nk'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity protein kinase TTK


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



EntreMed Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073585
PNG
(CHEMBL3408945 | US10358436, Example A102 | US99078...)
Show SMILES COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|
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0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive binding to PLK4 (unknown origin) by double reciprocal plot analysis in presence of ATP


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


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



EntreMed Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073587
PNG
(CHEMBL3408947 | US10358436, Example A185 | US20230...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r|
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0.260n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive binding to PLK4 (unknown origin) by double reciprocal plot analysis in presence of ATP


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


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



EntreMed Inc.

Curated by ChEMBL


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


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073586
PNG
(CHEMBL3408946 | US10358436, Example A198 | US99078...)
Show SMILES C[C@H]1CN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)C[C@@H](C)O1 |r|
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0.730n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive binding to PLK4 (unknown origin) by double reciprocal plot analysis in presence of ATP


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM25117
PNG
(AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...)
Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
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4.20n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


J Med Chem 58: 130-46 (2015)


Article DOI: 10.1021/jm500537u
BindingDB Entry DOI: 10.7270/Q2125V9W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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11n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


J Med Chem 58: 130-46 (2015)


Article DOI: 10.1021/jm500537u
BindingDB Entry DOI: 10.7270/Q2125V9W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044656
PNG
(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1 |r|
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n/an/a 0.370n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073551
PNG
(CHEMBL3408955)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6[C@@H](C)CN(C)C[C@H]6C)cc5)n[nH]c4c3)c2c1 |r|
Show InChI InChI=1S/C34H37N5O2/c1-21-18-38(3)19-22(2)39(21)20-24-7-5-23(6-8-24)9-13-30-27-12-10-25(15-32(27)37-36-30)29-17-34(29)28-16-26(41-4)11-14-31(28)35-33(34)40/h5-16,21-22,29H,17-20H2,1-4H3,(H,35,40)(H,36,37)/b13-9+/t21-,22+,29-,34-/m0/s1
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n/an/a 0.390n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375329
PNG
(US10358436, Example A49 | US9907800, Example A122 ...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCNCC3)c2c1 |r|
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n/an/a 0.450n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073584
PNG
(CHEMBL3408944 | US10358436, Example A59 | US990780...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCCCC6)cc5)n[nH]c4c3)c2c1 |r|
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073550
PNG
(CHEMBL3408954)
Show SMILES C[C@H]1CN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)C[C@@H](C)N1C |r|
Show InChI InChI=1S/C33H35N5O/c1-21-18-38(19-22(2)37(21)3)20-24-10-8-23(9-11-24)12-15-29-26-14-13-25(16-31(26)36-35-29)28-17-33(28)27-6-4-5-7-30(27)34-32(33)39/h4-16,21-22,28H,17-20H2,1-3H3,(H,34,39)(H,35,36)/b15-12+/t21-,22+,28-,33-/m0/s1
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n/an/a 0.640n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044653
PNG
(CHEMBL3353351)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(C)cc23)cc1 |r|
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n/an/a 0.710n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged PLK4 (1 to 391 residues) expressed in Escherichia coli incubated for 30 mins by ELISA method


J Med Chem 58: 130-46 (2015)


Article DOI: 10.1021/jm500537u
BindingDB Entry DOI: 10.7270/Q2125V9W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044665
PNG
(CHEMBL3353341 | US10358436, Example A33 | US990780...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1 |r|
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n/an/a 0.75n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044652
PNG
(CHEMBL3353352 | US10358436, Example A208 | US99078...)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(F)cc23)cc1 |r|
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n/an/a 0.790n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged PLK4 (1 to 391 residues) expressed in Escherichia coli incubated for 30 mins by ELISA method


J Med Chem 58: 130-46 (2015)


Article DOI: 10.1021/jm500537u
BindingDB Entry DOI: 10.7270/Q2125V9W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044667
PNG
(CHEMBL3353362 | US10358436, Example A58 | US990780...)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCCCC4)cc3)n[nH]c2c1 |r|
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n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044662
PNG
(CHEMBL3353361 | US10358436, Example A61 | US990780...)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCCC4)cc3)n[nH]c2c1 |r|
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n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073555
PNG
(CHEMBL3408941 | US10358436, Example A92 | US990780...)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(cc3)N3CCNCC3)n[nH]c2c1 |r|
Show InChI InChI=1S/C29H27N5O/c35-28-29(23-3-1-2-4-26(23)31-28)18-24(29)20-8-11-22-25(32-33-27(22)17-20)12-7-19-5-9-21(10-6-19)34-15-13-30-14-16-34/h1-12,17,24,30H,13-16,18H2,(H,31,35)(H,32,33)/b12-7+/t24-,29-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375318
PNG
(US10358436, Example A39 | US9907800, Example A38 |...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(C)CC3)c2c1 |r|
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n/an/a 0.940n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375291
PNG
(US10358436, Example A16 | US9907800, Example A16)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 |r|
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n/an/a 1n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375291
PNG
(US10358436, Example A16 | US9907800, Example A16)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 |r|
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n/an/a 1n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


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



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TTK


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044657
PNG
(CHEMBL3353347 | US10358436, Example A24 | US990780...)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|
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n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081607
PNG
(CHEMBL3422080)
Show SMILES O=C(NCC1(CCCCC1)N1CCOCC1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1
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n/an/a 1.10n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


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


J Med Chem 58: 3366-92 (2015)


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


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

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50533129
PNG
(CHEMBL4526755)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@H](O)C3)cc(Oc3cccnc3)nc12 |r,wU:20.21,wD:22.24,(11.14,-42.46,;12.21,-41.35,;11.78,-39.87,;12.85,-38.76,;14.34,-39.12,;14.78,-40.59,;13.71,-41.71,;14.14,-43.19,;13.07,-44.31,;15.64,-43.56,;16.7,-42.44,;18.18,-42.01,;17.06,-40.94,;12.42,-37.28,;13.37,-36.07,;12.5,-34.79,;11.02,-35.23,;9.72,-34.42,;9.77,-32.88,;8.46,-32.07,;7.1,-32.8,;6.66,-34.28,;5.19,-33.83,;3.83,-34.56,;5.63,-32.36,;8.37,-35.15,;8.32,-36.69,;6.97,-37.42,;6.93,-38.96,;5.57,-39.68,;5.53,-41.22,;6.84,-42.03,;8.2,-41.29,;8.24,-39.75,;9.63,-37.49,;10.97,-36.76,)|
Show InChI InChI=1S/C27H28N6O3/c1-16-9-18(4-7-22(16)27(35)31-19-5-6-19)23-15-30-33-24(29-13-17-10-20(34)11-17)12-25(32-26(23)33)36-21-3-2-8-28-14-21/h2-4,7-9,12,14-15,17,19-20,29,34H,5-6,10-11,13H2,1H3,(H,31,35)/t17-,20-
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n/an/a 1.10n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044657
PNG
(CHEMBL3353347 | US10358436, Example A24 | US990780...)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|
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n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073552
PNG
(CHEMBL3408956 | US10358436, Example A78 | US990780...)
Show SMILES CN1CCC(CC1)Oc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|
Show InChI InChI=1S/C31H30N4O2/c1-35-16-14-23(15-17-35)37-22-10-6-20(7-11-22)8-13-27-24-12-9-21(18-29(24)34-33-27)26-19-31(26)25-4-2-3-5-28(25)32-30(31)36/h2-13,18,23,26H,14-17,19H2,1H3,(H,32,36)(H,33,34)/b13-8+/t26-,31-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


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



EntreMed Inc.

Curated by ChEMBL


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


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044656
PNG
(CHEMBL3353348 | US10358436, Example A35 | US990780...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1 |r|
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n/an/a 1.10n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged PLK4 (1 to 391 residues) expressed in Escherichia coli incubated for 30 mins by ELISA method


J Med Chem 58: 130-46 (2015)


Article DOI: 10.1021/jm500537u
BindingDB Entry DOI: 10.7270/Q2125V9W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375414
PNG
(US10358436, Example A126 | US9907800, Example A126)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)c2c1 |r|
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n/an/a 1.20n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044650
PNG
(CHEMBL3353350)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(Cl)cc23)cc1 |r|
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n/an/a 1.20n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged PLK4 (1 to 391 residues) expressed in Escherichia coli incubated for 30 mins by ELISA method


J Med Chem 58: 130-46 (2015)


Article DOI: 10.1021/jm500537u
BindingDB Entry DOI: 10.7270/Q2125V9W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375482
PNG
(US10358436, Example A191 | US9907800, Example A191)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(CCO)CC3)c2c1 |r|
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n/an/a 1.20n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin)


Bioorg Med Chem Lett 26: 4625-4630 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.063
BindingDB Entry DOI: 10.7270/Q22V2KMQ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


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

Curated by ChEMBL


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


J Med Chem 58: 3366-92 (2015)


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


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

Curated by ChEMBL


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


J Med Chem 58: 3366-92 (2015)


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


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

Curated by ChEMBL


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


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073585
PNG
(CHEMBL3408945 | US10358436, Example A102 | US99078...)
Show SMILES COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|
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n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044662
PNG
(CHEMBL3353361 | US10358436, Example A61 | US990780...)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCCC4)cc3)n[nH]c2c1 |r|
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n/an/a 1.30n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged PLK4 (1 to 391 residues) expressed in Escherichia coli incubated for 30 mins by ELISA method


J Med Chem 58: 130-46 (2015)


Article DOI: 10.1021/jm500537u
BindingDB Entry DOI: 10.7270/Q2125V9W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073554
PNG
(CHEMBL3408940 | US10358436, Example A110 | US99078...)
Show SMILES CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(nc4)N4CCN(C)CC4)n[nH]c3c2)c2ccccc12 |r|
Show InChI InChI=1S/C30H30N6O/c1-34-13-15-36(16-14-34)28-12-8-20(19-31-28)7-11-25-22-10-9-21(17-26(22)33-32-25)24-18-30(24)23-5-3-4-6-27(23)35(2)29(30)37/h3-12,17,19,24H,13-16,18H2,1-2H3,(H,32,33)/b11-7+/t24-,30-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


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



EntreMed Inc.

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50081609
PNG
(CHEMBL3422084)
Show SMILES O=C(N[C@@H](C1CC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1 |r|
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n/an/a 1.40n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


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


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044654
PNG
(CHEMBL3353346 | US9907800, Example A62)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCCCC6)nc5)n[nH]c4c3)c2c1 |r|
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged PLK4 (1 to 391 residues) expressed in Escherichia coli incubated for 30 mins by ELISA method


J Med Chem 58: 130-46 (2015)


Article DOI: 10.1021/jm500537u
BindingDB Entry DOI: 10.7270/Q2125V9W
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


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

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.5b00485
BindingDB Entry DOI: 10.7270/Q2K35Z46
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044657
PNG
(CHEMBL3353347 | US10358436, Example A24 | US990780...)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|
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n/an/a 1.40n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged PLK4 (1 to 391 residues) expressed in Escherichia coli incubated for 30 mins by ELISA method


J Med Chem 58: 130-46 (2015)


Article DOI: 10.1021/jm500537u
BindingDB Entry DOI: 10.7270/Q2125V9W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073582
PNG
(CHEMBL3408942 | US10358436, Example A109 | US99078...)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)N(C)c3ccccc23)cc1 |r|
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044675
PNG
(CHEMBL3353354 | US10358436, Example A56 | US990780...)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCOCC4)cc3)n[nH]c2c1 |r|
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073553
PNG
(CHEMBL3408957)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|
Show InChI InChI=1S/C33H34N4O2/c1-21(2)37-17-15-25(16-18-37)39-24-11-7-22(8-12-24)9-14-29-26-13-10-23(19-31(26)36-35-29)28-20-33(28)27-5-3-4-6-30(27)34-32(33)38/h3-14,19,21,25,28H,15-18,20H2,1-2H3,(H,34,38)(H,35,36)/b14-9+/t28-,33-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073547
PNG
(CHEMBL3408951)
Show SMILES COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(cc5)[C@H](C)N5CCOCC5)n[nH]c4c3)c2c1 |r|
Show InChI InChI=1S/C33H34N4O3/c1-21(37-14-16-40-17-15-37)23-7-4-22(5-8-23)6-12-29-26-11-9-24(18-30(26)35-34-29)28-20-33(28)27-19-25(39-3)10-13-31(27)36(2)32(33)38/h4-13,18-19,21,28H,14-17,20H2,1-3H3,(H,34,35)/b12-6+/t21-,28-,33-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of PLK4 (unknown origin) by ELISA


J Med Chem 58: 147-69 (2015)


Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


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

Curated by ChEMBL


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


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
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