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Compile Data Set for Download or QSAR

Found 1528 hits Enz. Inhib. hit(s) with Target = 'Polo-Like Kinase 1'   
Target
(Institution)
LigandTarget
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
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM28206
PNG
(3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(5,6-dimethoxy...)
Show SMILES COc1cc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H20ClN3O4S/c1-12(13-6-4-5-7-14(13)23)30-19-10-20(31-21(19)22(24)27)26-11-25-15-8-17(28-2)18(29-3)9-16(15)26/h4-12H,1-3H3,(H2,24,27)/t12-/m1/s1
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n/an/a 0.800n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
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n/an/a 0.830n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Competitive inhibition of human PLK1 in presence of ATP


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50402023
PNG
(BI 6727 | VOLASERTIB)
Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1
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n/an/a 0.870n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Competitive inhibition of human PLK1 in presence of ATP


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50435723
PNG
(CHEMBL2392549)
Show SMILES COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1
Show InChI InChI=1S/C27H34ClF2N7O3/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2/h12-14,16-17H,4-11,15H2,1-3H3,(H,32,38)(H,31,33,34)
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n/an/a 1n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM28210
PNG
(3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[(2S)-2,3-d...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC[C@@H](O)CO)cc12)c1ccccc1Cl
Show InChI InChI=1S/C23H22ClN3O5S/c1-13(16-4-2-3-5-17(16)24)32-20-9-21(33-22(20)23(25)30)27-12-26-18-7-6-15(8-19(18)27)31-11-14(29)10-28/h2-9,12-14,28-29H,10-11H2,1H3,(H2,25,30)/t13-,14+/m1/s1
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n/an/a 1n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50435732
PNG
(CHEMBL2392556)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC=C)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C30H41N7O3/c1-5-8-21-19-37(23-9-6-7-10-23)27-25(36(3)29(21)39)18-31-30(34-27)33-24-12-11-20(17-26(24)40-4)28(38)32-22-13-15-35(2)16-14-22/h5,11-12,17-18,21-23H,1,6-10,13-16,19H2,2-4H3,(H,32,38)(H,31,33,34)/t21-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50329929
PNG
(8-(5-(piperazin-1-yl)-2-(trifluoromethoxy)phenylam...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C=C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C24H25F3N8O2/c1-3-35-21-16(20(32-35)22(28)36)6-4-14-13-29-23(31-19(14)21)30-17-12-15(34-10-8-33(2)9-11-34)5-7-18(17)37-24(25,26)27/h3,5,7,12-13H,1,4,6,8-11H2,2H3,(H2,28,36)(H,29,30,31)
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US Patent
n/an/a 1n/an/an/an/a7.9n/a



Nerviano Medical Sciences S.r.l.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8614220 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50329914
PNG
(1-methyl-8-(5-(4-methylpiperazin-1-yl)-2-(trifluor...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C23H25F3N8O2/c1-32-7-9-34(10-8-32)14-4-6-17(36-23(24,25)26)16(11-14)29-22-28-12-13-3-5-15-19(21(27)35)31-33(2)20(15)18(13)30-22/h4,6,11-12H,3,5,7-10H2,1-2H3,(H2,27,35)(H,28,29,30)
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n/an/a 1n/an/an/an/a7.9n/a



Nerviano Medical Sciences S.r.l.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8614220 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323113
PNG
((R)-5-(5-(pyridin-4-yl)-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccncc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H19F3N4O2S/c1-15(18-4-2-3-5-19(18)26(27,28)29)35-22-13-23(36-24(22)25(30)34)33-14-32-20-12-17(6-7-21(20)33)16-8-10-31-11-9-16/h2-15H,1H3,(H2,30,34)/t15-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323107
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(pyridin-4-y...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccncc1)c1ccccc1Cl
Show InChI InChI=1S/C25H19ClN4O2S/c1-15(18-4-2-3-5-19(18)26)32-22-13-23(33-24(22)25(27)31)30-14-29-20-12-17(6-7-21(20)30)16-8-10-28-11-9-16/h2-15H,1H3,(H2,27,31)/t15-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323116
PNG
((R)-5-(5-(pyridin-3-yl)-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cccnc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H19F3N4O2S/c1-15(18-6-2-3-7-19(18)26(27,28)29)35-22-12-23(36-24(22)25(30)34)33-14-32-20-11-16(8-9-21(20)33)17-5-4-10-31-13-17/h2-15H,1H3,(H2,30,34)/t15-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323121
PNG
((R)-5-(5-(1H-pyrazol-4-yl)-1H-benzo[d]imidazol-1-y...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cn[nH]c1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H18F3N5O2S/c1-13(16-4-2-3-5-17(16)24(25,26)27)34-20-9-21(35-22(20)23(28)33)32-12-29-18-8-14(6-7-19(18)32)15-10-30-31-11-15/h2-13H,1H3,(H2,28,33)(H,30,31)/t13-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323122
PNG
((R)-5-(5-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imi...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(C)c1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H20F3N5O2S/c1-14(17-5-3-4-6-18(17)25(26,27)28)35-21-10-22(36-23(21)24(29)34)33-13-30-19-9-15(7-8-20(19)33)16-11-31-32(2)12-16/h3-14H,1-2H3,(H2,29,34)/t14-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323109
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(1-methyl-1H...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(C)c1)c1ccccc1Cl
Show InChI InChI=1S/C24H20ClN5O2S/c1-14(17-5-3-4-6-18(17)25)32-21-10-22(33-23(21)24(26)31)30-13-27-19-9-15(7-8-20(19)30)16-11-28-29(2)12-16/h3-14H,1-2H3,(H2,26,31)/t14-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323123
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(6-(1-methyl-1H...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1cnn(C)c1)c1ccccc1Cl
Show InChI InChI=1S/C24H20ClN5O2S/c1-14(17-5-3-4-6-18(17)25)32-21-10-22(33-23(21)24(26)31)30-13-27-19-8-7-15(9-20(19)30)16-11-28-29(2)12-16/h3-14H,1-2H3,(H2,26,31)/t14-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323124
PNG
((R)-5-(5-(2-methylpyridin-4-yl)-1H-benzo[d]imidazo...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(C)c1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H21F3N4O2S/c1-15-11-18(9-10-32-15)17-7-8-22-21(12-17)33-14-34(22)24-13-23(25(37-24)26(31)35)36-16(2)19-5-3-4-6-20(19)27(28,29)30/h3-14,16H,1-2H3,(H2,31,35)/t16-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323108
PNG
((R)-5-(5-(2-aminopyridin-4-yl)-1H-benzo[d]imidazol...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(N)c1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H20F3N5O2S/c1-14(17-4-2-3-5-18(17)26(27,28)29)36-21-12-23(37-24(21)25(31)35)34-13-33-19-10-15(6-7-20(19)34)16-8-9-32-22(30)11-16/h2-14H,1H3,(H2,30,32)(H2,31,35)/t14-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323110
PNG
((R)-5-(5-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidaz...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(N)n1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H19F3N6O2S/c1-13(15-4-2-3-5-16(15)25(26,27)28)36-20-11-21(37-22(20)23(29)35)34-12-32-18-10-14(6-7-19(18)34)17-8-9-31-24(30)33-17/h2-13H,1H3,(H2,29,35)(H2,30,31,33)/t13-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323127
PNG
((R)-5-(5-(2-aminopyrimidin-5-yl)-1H-benzo[d]imidaz...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnc(N)nc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H19F3N6O2S/c1-13(16-4-2-3-5-17(16)25(26,27)28)36-20-9-21(37-22(20)23(29)35)34-12-33-18-8-14(6-7-19(18)34)15-10-31-24(30)32-11-15/h2-13H,1H3,(H2,29,35)(H2,30,31,32)/t13-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323096
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(2-(2-(methy...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NCCS(C)(=O)=O)c1)c1ccccc1Cl
Show InChI InChI=1S/C28H26ClN5O4S2/c1-17(20-5-3-4-6-21(20)29)38-24-15-26(39-27(24)28(30)35)34-16-33-22-13-18(7-8-23(22)34)19-9-10-31-25(14-19)32-11-12-40(2,36)37/h3-10,13-17H,11-12H2,1-2H3,(H2,30,35)(H,31,32)/t17-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323097
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(2-(2-hydrox...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NCCO)c1)c1ccccc1Cl
Show InChI InChI=1S/C27H24ClN5O3S/c1-16(19-4-2-3-5-20(19)28)36-23-14-25(37-26(23)27(29)35)33-15-32-21-12-17(6-7-22(21)33)18-8-9-30-24(13-18)31-10-11-34/h2-9,12-16,34H,10-11H2,1H3,(H2,29,35)(H,30,31)/t16-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323098
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(2-(1-methyl...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NC2CCN(C)CC2)c1)c1ccccc1Cl
Show InChI InChI=1S/C31H31ClN6O2S/c1-19(23-5-3-4-6-24(23)32)40-27-17-29(41-30(27)31(33)39)38-18-35-25-15-20(7-8-26(25)38)21-9-12-34-28(16-21)36-22-10-13-37(2)14-11-22/h3-9,12,15-19,22H,10-11,13-14H2,1-2H3,(H2,33,39)(H,34,36)/t19-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323105
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(2-(1-methyl...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NC2CCN(C)CC2)n1)c1ccccc1Cl
Show InChI InChI=1S/C30H30ClN7O2S/c1-18(21-5-3-4-6-22(21)31)40-26-16-27(41-28(26)29(32)39)38-17-34-24-15-19(7-8-25(24)38)23-9-12-33-30(36-23)35-20-10-13-37(2)14-11-20/h3-9,12,15-18,20H,10-11,13-14H2,1-2H3,(H2,32,39)(H,33,35,36)/t18-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323106
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(1-(2-morpho...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(CCN2CCOCC2)c1)c1ccccc1Cl
Show InChI InChI=1S/C29H29ClN6O3S/c1-19(22-4-2-3-5-23(22)30)39-26-15-27(40-28(26)29(31)37)36-18-32-24-14-20(6-7-25(24)36)21-16-33-35(17-21)9-8-34-10-12-38-13-11-34/h2-7,14-19H,8-13H2,1H3,(H2,31,37)/t19-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323100
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(1-(2-(4-met...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(CCN2CCN(C)CC2)c1)c1ccccc1Cl
Show InChI InChI=1S/C30H32ClN7O2S/c1-20(23-5-3-4-6-24(23)31)40-27-16-28(41-29(27)30(32)39)38-19-33-25-15-21(7-8-26(25)38)22-17-34-37(18-22)14-13-36-11-9-35(2)10-12-36/h3-8,15-20H,9-14H2,1-2H3,(H2,32,39)/t20-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323102
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(1-(3-(4-eth...)
Show SMILES CCN1CCN(CCCn2cc(cn2)-c2ccc3n(cnc3c2)-c2cc(O[C@H](C)c3ccccc3Cl)c(s2)C(N)=O)CC1
Show InChI InChI=1S/C32H36ClN7O2S/c1-3-37-13-15-38(16-14-37)11-6-12-39-20-24(19-36-39)23-9-10-28-27(17-23)35-21-40(28)30-18-29(31(43-30)32(34)41)42-22(2)25-7-4-5-8-26(25)33/h4-5,7-10,17-22H,3,6,11-16H2,1-2H3,(H2,34,41)/t22-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM28208
PNG
(3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxy-1H-...)
Show SMILES COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(N)=O)c2c1
Show InChI InChI=1S/C21H18ClN3O3S/c1-12(14-5-3-4-6-15(14)22)28-18-10-19(29-20(18)21(23)26)25-11-24-16-8-7-13(27-2)9-17(16)25/h3-12H,1-2H3,(H2,23,26)/t12-/m1/s1
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n/an/a 1n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50435724
PNG
(CHEMBL2392548)
Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C26H33F2N7O2/c1-33-13-11-19(12-14-33)30-23(36)17-7-9-18(10-8-17)31-25-29-15-21-22(32-25)35(20-5-3-4-6-20)16-26(27,28)24(37)34(21)2/h7-10,15,19-20H,3-6,11-14,16H2,1-2H3,(H,30,36)(H,29,31,32)
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n/an/a 1n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50435727
PNG
(CHEMBL2392545)
Show SMILES COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1
Show InChI InChI=1S/C27H34F3N7O3/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2/h12-14,16-17H,4-11,15H2,1-3H3,(H,32,38)(H,31,33,34)
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n/an/a 2n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM28177
PNG
(3-[(2-bromophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,3...)
Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4Br)c(s3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C21H18BrN3O4S/c1-27-16-7-14-15(8-17(16)28-2)25(11-24-14)19-9-18(20(30-19)21(23)26)29-10-12-5-3-4-6-13(12)22/h3-9,11H,10H2,1-2H3,(H2,23,26)
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n/an/a 2n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50329915
PNG
(1-methyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCNCC4)nc3-c12
Show InChI InChI=1S/C22H23F3N8O2/c1-32-19-14(18(31-32)20(26)34)4-2-12-11-28-21(30-17(12)19)29-15-10-13(33-8-6-27-7-9-33)3-5-16(15)35-22(23,24)25/h3,5,10-11,27H,2,4,6-9H2,1H3,(H2,26,34)(H,28,29,30)
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n/an/a 2n/an/an/an/a7.9n/a



Nerviano Medical Sciences S.r.l.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Speci...


US Patent US8614220 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323114
PNG
((R)-5-(6-(pyridin-4-yl)-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1ccncc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H19F3N4O2S/c1-15(18-4-2-3-5-19(18)26(27,28)29)35-22-13-23(36-24(22)25(30)34)33-14-32-20-7-6-17(12-21(20)33)16-8-10-31-11-9-16/h2-15H,1H3,(H2,30,34)/t15-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323115
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(6-(pyridin-4-y...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1ccncc1)c1ccccc1Cl
Show InChI InChI=1S/C25H19ClN4O2S/c1-15(18-4-2-3-5-19(18)26)32-22-13-23(33-24(22)25(27)31)30-14-29-20-7-6-17(12-21(20)30)16-8-10-28-11-9-16/h2-15H,1H3,(H2,27,31)/t15-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323117
PNG
((R)-5-(6-(pyridin-3-yl)-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1cccnc1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H19F3N4O2S/c1-15(18-6-2-3-7-19(18)26(27,28)29)35-22-12-23(36-24(22)25(30)34)33-14-32-20-9-8-16(11-21(20)33)17-5-4-10-31-13-17/h2-15H,1H3,(H2,30,34)/t15-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323104
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(2-(4-methyl...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(c1)N1CCN(C)CC1)c1ccccc1Cl
Show InChI InChI=1S/C30H29ClN6O2S/c1-19(22-5-3-4-6-23(22)31)39-26-17-28(40-29(26)30(32)38)37-18-34-24-15-20(7-8-25(24)37)21-9-10-33-27(16-21)36-13-11-35(2)12-14-36/h3-10,15-19H,11-14H2,1-2H3,(H2,32,38)/t19-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323099
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(6-(1-methyl...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccc(NC2CCN(C)CC2)nc1)c1ccccc1Cl
Show InChI InChI=1S/C31H31ClN6O2S/c1-19(23-5-3-4-6-24(23)32)40-27-16-29(41-30(27)31(33)39)38-18-35-25-15-20(7-9-26(25)38)21-8-10-28(34-17-21)36-22-11-13-37(2)14-12-22/h3-10,15-19,22H,11-14H2,1-2H3,(H2,33,39)(H,34,36)/t19-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50323101
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(1-(3-(dimet...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(CCCN(C)C)c1)c1ccccc1Cl
Show InChI InChI=1S/C28H29ClN6O2S/c1-18(21-7-4-5-8-22(21)29)37-25-14-26(38-27(25)28(30)36)35-17-31-23-13-19(9-10-24(23)35)20-15-32-34(16-20)12-6-11-33(2)3/h4-5,7-10,13-18H,6,11-12H2,1-3H3,(H2,30,36)/t18-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PLK1 by SPA assay


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50329915
PNG
(1-methyl-8-(5-(piperazin-1-yl)-2-(trifluoromethoxy...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCNCC4)nc3-c12
Show InChI InChI=1S/C22H23F3N8O2/c1-32-19-14(18(31-32)20(26)34)4-2-12-11-28-21(30-17(12)19)29-15-10-13(33-8-6-27-7-9-33)3-5-16(15)35-22(23,24)25/h3,5,10-11,27H,2,4,6-9H2,1H3,(H2,26,34)(H,28,29,30)
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n/an/a 2n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM28175
PNG
(5-(6-methoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifl...)
Show SMILES COc1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1
Show InChI InChI=1S/C21H16F3N3O3S/c1-29-13-6-7-15-16(8-13)27(11-26-15)18-9-17(19(31-18)20(25)28)30-10-12-4-2-3-5-14(12)21(22,23)24/h2-9,11H,10H2,1H3,(H2,25,28)
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n/an/a 2n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM25120
PNG
(5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(t...)
Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C22H18F3N3O4S/c1-30-16-7-14-15(8-17(16)31-2)28(11-27-14)19-9-18(20(33-19)21(26)29)32-10-12-5-3-4-6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H2,26,29)
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n/an/a 2n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM28200
PNG
(5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(t...)
Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(O)=O)c2cc1OC
Show InChI InChI=1S/C22H17F3N2O5S/c1-30-16-7-14-15(8-17(16)31-2)27(11-26-14)19-9-18(20(33-19)21(28)29)32-10-12-5-3-4-6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H,28,29)
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n/an/a 2n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50343559
PNG
(1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-...)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)
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n/an/a 2n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM28178
PNG
(3-[(2-chlorophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,...)
Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4Cl)c(s3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C21H18ClN3O4S/c1-27-16-7-14-15(8-17(16)28-2)25(11-24-14)19-9-18(20(30-19)21(23)26)29-10-12-5-3-4-6-13(12)22/h3-9,11H,10H2,1-2H3,(H2,23,26)
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n/an/a 2n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM28194
PNG
(3-[(3-chlorothiophen-2-yl)methoxy]-5-(5,6-dimethox...)
Show SMILES COc1cc2ncn(-c3cc(OCc4sccc4Cl)c(s3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C19H16ClN3O4S2/c1-25-13-5-11-12(6-14(13)26-2)23(9-22-11)17-7-15(18(29-17)19(21)24)27-8-16-10(20)3-4-28-16/h3-7,9H,8H2,1-2H3,(H2,21,24)
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n/an/a 2n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM28216
PNG
(5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-1,3-benzodia...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H27F3N4O3S/c1-16(19-5-3-4-6-20(19)27(28,29)30)36-23-14-24(38-25(23)26(31)35)34-15-32-21-8-7-18(13-22(21)34)37-17-9-11-33(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,31,35)/t16-/m1/s1
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n/an/a 2n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM28217
PNG
(3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[(1-methylp...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1Cl
Show InChI InChI=1S/C26H27ClN4O3S/c1-16(19-5-3-4-6-20(19)27)33-23-14-24(35-25(23)26(28)32)31-15-29-21-8-7-18(13-22(21)31)34-17-9-11-30(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,28,32)/t16-/m1/s1
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n/an/a 2n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM28178
PNG
(3-[(2-chlorophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,...)
Show SMILES COc1cc2ncn(-c3cc(OCc4ccccc4Cl)c(s3)C(N)=O)c2cc1OC
Show InChI InChI=1S/C21H18ClN3O4S/c1-27-16-7-14-15(8-17(16)28-2)25(11-24-14)19-9-18(20(30-19)21(23)26)29-10-12-5-3-4-6-13(12)22/h3-9,11H,10H2,1-2H3,(H2,23,26)
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n/an/a 2n/an/an/an/a7.222



GSK



Assay Description
The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50435734
PNG
(CHEMBL2392554)
Show SMILES CC[C@@]1(F)CN(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C29H40FN7O3/c1-5-29(30)18-37(21-8-6-7-9-21)25-23(36(3)27(29)39)17-31-28(34-25)33-22-11-10-19(16-24(22)40-4)26(38)32-20-12-14-35(2)15-13-20/h10-11,16-17,20-21H,5-9,12-15,18H2,1-4H3,(H,32,38)(H,31,33,34)/t29-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
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