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Compile Data Set for Download or QSAR

Found 122 hits of ki data for polymerid = 1402,2700   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)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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0.00460n/an/an/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
In vitro inhibition constant for Aurora-C


J Med Chem 49: 955-70 (2006)


Article DOI: 10.1021/jm050786h
BindingDB Entry DOI: 10.7270/Q24J0FXV
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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0.220n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay


ACS Med Chem Lett 6: 764-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50112336
PNG
(CHEMBL3609305)
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-/m0/s1
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0.420n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay


ACS Med Chem Lett 6: 764-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50112340
PNG
(CHEMBL3609310)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(OC)c3)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)31-19-10-11-21(24(16-19)38-4)26(36)30-18-12-14-33(2)15-13-18/h10-11,16-18,20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
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0.520n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay


ACS Med Chem Lett 6: 764-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50112344
PNG
(CHEMBL3609314)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C32H45N7O3/c1-4-26-31(41)38(3)27-20-33-32(36-29(27)39(26)23-9-5-6-10-23)35-25-14-13-21(19-28(25)42-24-11-7-8-12-24)30(40)34-22-15-17-37(2)18-16-22/h13-14,19-20,22-24,26H,4-12,15-18H2,1-3H3,(H,34,40)(H,33,35,36)/t26-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay


ACS Med Chem Lett 6: 764-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50112331
PNG
(CHEMBL3609300)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(CC)C1=O
Show InChI InChI=1S/C29H41N7O3/c1-5-23-28(38)35(6-2)24-18-30-29(33-26(24)36(23)21-9-7-8-10-21)32-22-12-11-19(17-25(22)39-4)27(37)31-20-13-15-34(3)16-14-20/h11-12,17-18,20-21,23H,5-10,13-16H2,1-4H3,(H,31,37)(H,30,32,33)/t23-/m1/s1
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0.910n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay


ACS Med Chem Lett 6: 764-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D
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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<1<-12.1n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...


Biochemistry 46: 9551-63 (2007)


Article DOI: 10.1021/bi7008745
BindingDB Entry DOI: 10.7270/Q28G8J11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50315769
PNG
(3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...)
Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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1.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of human Aurora C ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
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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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PLK1 using biotin-ahx-AKMETTFYDDALNASFLPSEKKK-amide as substrate after 30 mins by scintillation counting analysi...


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402021
PNG
(CHEMBL2205458)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc-4c(Cc5ccccc-45)c3)n2)c(=O)c1=O
Show InChI InChI=1S/C25H23N5O2/c1-25(2,3)30-21-20(22(31)23(21)32)28-19-10-11-26-24(29-19)27-16-8-9-18-15(13-16)12-14-6-4-5-7-17(14)18/h4-11,13,30H,12H2,1-3H3,(H2,26,27,28,29)
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PLK1 using biotin-ahx-AKMETTFYDDALNASFLPSEKKK-amide as substrate after 30 mins by scintillation counting analysi...


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50112337
PNG
(CHEMBL3609306)
Show SMILES COc1cc(ccc1Nc1ncc2N(Cc3ccccc3)C(=O)[C@@H](Cc3ccccc3)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C39H45N7O3/c1-44-21-19-30(20-22-44)41-37(47)29-17-18-32(35(24-29)49-2)42-39-40-25-34-36(43-39)46(31-15-9-10-16-31)33(23-27-11-5-3-6-12-27)38(48)45(34)26-28-13-7-4-8-14-28/h3-8,11-14,17-18,24-25,30-31,33H,9-10,15-16,19-23,26H2,1-2H3,(H,41,47)(H,40,42,43)/t33-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay


ACS Med Chem Lett 6: 764-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)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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4.60 -11.3n/an/an/an/an/a7.522



Vertex Pharmaceuticals (Europe) Limited



Assay Description
The kinase activity was determined by incubation of enzyme and its substrate, and test compound, in the presence ATP/[gamma-32P] ATP. After incubatio...


Nat Med 10: 262-7 (2004)


Article DOI: 10.1038/nm1003
BindingDB Entry DOI: 10.7270/Q25M63ZF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(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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4.60n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged recombinant Aurora 3 (1 to 309) (unknown origin) expressed in baculovirus expression system by radiometric assa...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
BindingDB Entry DOI: 10.7270/Q2Z60QKP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)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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4.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AURC


J Med Chem 51: 7898-914 (2008)


Article DOI: 10.1021/jm8011036
BindingDB Entry DOI: 10.7270/Q2WS8T4C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)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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4.60n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora C


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)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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4.60n/an/an/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of Aurora C kinase


Bioorg Med Chem Lett 18: 1623-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.068
BindingDB Entry DOI: 10.7270/Q261115V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)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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4.60n/an/an/an/an/an/an/an/a



Xuzhou Medical College

Curated by ChEMBL


Assay Description
Inhibition of aurora C (unknown origin)


Bioorg Med Chem Lett 23: 3523-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.039
BindingDB Entry DOI: 10.7270/Q26111Q1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)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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4.60n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Aurora C


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)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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4.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of Aurora C ATP binding site


J Med Chem 53: 3973-4001 (2010)


Article DOI: 10.1021/jm901870q
BindingDB Entry DOI: 10.7270/Q27082CK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)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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4.60n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of aurora C kinase


J Med Chem 52: 2629-51 (2009)

Checked by Author
Article DOI: 10.1021/jm8012129
BindingDB Entry DOI: 10.7270/Q2B85920
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(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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4.60n/an/an/an/an/an/an/an/a



Taiwan National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged Aurora C (1 to 309 residues) (unknown origin) expressed in baculovirus expression system


Eur J Med Chem 124: 186-199 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.026
BindingDB Entry DOI: 10.7270/Q2668G5M
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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4.80 -11.2n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...


Biochemistry 46: 9551-63 (2007)


Article DOI: 10.1021/bi7008745
BindingDB Entry DOI: 10.7270/Q28G8J11
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PLK1 using biotin-ahx-AKMETTFYDDALNASFLPSEKKK-amide as substrate after 30 mins by scintillation counting analysi...


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50112339
PNG
(CHEMBL3609308)
Show SMILES CC[C@H]1N(Cc2cccc(Br)c2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C30H36BrN7O3/c1-5-24-29(40)37(3)25-17-32-30(35-27(25)38(24)18-19-7-6-8-21(31)15-19)34-23-10-9-20(16-26(23)41-4)28(39)33-22-11-13-36(2)14-12-22/h6-10,15-17,22,24H,5,11-14,18H2,1-4H3,(H,33,39)(H,32,34,35)/t24-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay


ACS Med Chem Lett 6: 764-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50112338
PNG
(CHEMBL3609307)
Show SMILES CC[C@H]1N(CC(C)C)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O
Show InChI InChI=1S/C27H39N7O3/c1-7-21-26(36)33(5)22-15-28-27(31-24(22)34(21)16-17(2)3)30-20-9-8-18(14-23(20)37-6)25(35)29-19-10-12-32(4)13-11-19/h8-9,14-15,17,19,21H,7,10-13,16H2,1-6H3,(H,29,35)(H,28,30,31)/t21-/m1/s1
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7n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay


ACS Med Chem Lett 6: 764-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00084
BindingDB Entry DOI: 10.7270/Q2FF3V4D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM181016
PNG
(US9133199, I-253)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)C3(CC3)CN(C3CCCC3)c2n1)C(=O)NN1CCCC1
Show InChI InChI=1S/C27H35N7O3/c1-32-21-16-28-26(30-23(21)34(19-7-3-4-8-19)17-27(11-12-27)25(32)36)29-20-10-9-18(15-22(20)37-2)24(35)31-33-13-5-6-14-33/h9-10,15-16,19H,3-8,11-14,17H2,1-2H3,(H,31,35)(H,28,29,30)
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<10n/an/an/an/an/an/a7.5n/a



Cyclacel Limited

US Patent


Assay Description
CDC25C (2 ug/well) with PLKl (1 ug/well) in 20 mM Tris/HCl buffer pH 7.5, supplemented with 25 mM beta-glycerophosphate, 5 mM EGTA, 1 mM DTT and 1 mM...


US Patent US9133199 (2015)


BindingDB Entry DOI: 10.7270/Q21C1VNZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402044
PNG
(CHEMBL2205423)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3cn[nH]c3)n2)c(=O)c1=O
Show InChI InChI=1S/C21H21N7O2/c1-21(2,3)28-17-16(18(29)19(17)30)26-15-8-9-22-20(27-15)25-14-6-4-12(5-7-14)13-10-23-24-11-13/h4-11,28H,1-3H3,(H,23,24)(H2,22,25,26,27)
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10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM181015
PNG
(US9133199, 254)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)C3(CC3)CN(C3CCCC3)c2n1)C(=O)NN1CCN(C)CC1
Show InChI InChI=1S/C28H38N8O3/c1-33-12-14-35(15-13-33)32-25(37)19-8-9-21(23(16-19)39-3)30-27-29-17-22-24(31-27)36(20-6-4-5-7-20)18-28(10-11-28)26(38)34(22)2/h8-9,16-17,20H,4-7,10-15,18H2,1-3H3,(H,32,37)(H,29,30,31)
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<10n/an/an/an/an/an/a7.5n/a



Cyclacel Limited

US Patent


Assay Description
CDC25C (2 ug/well) with PLKl (1 ug/well) in 20 mM Tris/HCl buffer pH 7.5, supplemented with 25 mM beta-glycerophosphate, 5 mM EGTA, 1 mM DTT and 1 mM...


US Patent US9133199 (2015)


BindingDB Entry DOI: 10.7270/Q21C1VNZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402039
PNG
(CHEMBL2205462)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc4c(c3)[nH]c3ccccc43)n2)c(=O)c1=O
Show InChI InChI=1S/C24H22N6O2/c1-24(2,3)30-20-19(21(31)22(20)32)28-18-10-11-25-23(29-18)26-13-8-9-15-14-6-4-5-7-16(14)27-17(15)12-13/h4-12,27,30H,1-3H3,(H2,25,26,28,29)
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10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PLK1 using biotin-ahx-AKMETTFYDDALNASFLPSEKKK-amide as substrate after 30 mins by scintillation counting analysi...


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50277585
PNG
(CHEMBL484950 | N-(4-(4-(3-methyl-1H-pyrazol-5-ylam...)
Show SMILES CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
Show InChI InChI=1S/C20H18N6OS/c1-12-11-18(26-25-12)23-19-16-5-3-4-6-17(16)22-20(24-19)28-15-9-7-14(8-10-15)21-13(2)27/h3-11H,1-2H3,(H,21,27)(H2,22,23,24,25,26)
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11n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Aurora-C


Bioorg Med Chem Lett 19: 3586-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.136
BindingDB Entry DOI: 10.7270/Q28K7944
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402069
PNG
(CHEMBL1241473)
Show SMILES COc1cc(Nc2ncc(c(Nc3ccccc3C(N)=O)n2)[N+]([O-])=O)cc(OC)c1OC
Show InChI InChI=1S/C20H20N6O6/c1-30-15-8-11(9-16(31-2)17(15)32-3)23-20-22-10-14(26(28)29)19(25-20)24-13-7-5-4-6-12(13)18(21)27/h4-10H,1-3H3,(H2,21,27)(H2,22,23,24,25)
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402068
PNG
(CHEMBL2205456)
Show SMILES CCC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c(=O)c1=O
Show InChI InChI=1S/C25H25N5O2/c1-4-25(2,3)30-21-20(22(31)23(21)32)28-19-14-15-26-24(29-19)27-18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,30H,4H2,1-3H3,(H2,26,27,28,29)
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13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402026
PNG
(CHEMBL2205457)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c(=O)c1=O
Show InChI InChI=1S/C24H23N5O2/c1-24(2,3)29-20-19(21(30)22(20)31)27-18-13-14-25-23(28-18)26-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,29H,1-3H3,(H2,25,26,27,28)
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PLK1 using biotin-ahx-AKMETTFYDDALNASFLPSEKKK-amide as substrate after 30 mins by scintillation counting analysi...


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402036
PNG
(CHEMBL2205461)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3csnn3)n2)c(=O)c1=O
Show InChI InChI=1S/C20H19N7O2S/c1-20(2,3)25-16-15(17(28)18(16)29)23-14-8-9-21-19(24-14)22-12-6-4-11(5-7-12)13-10-30-27-26-13/h4-10,25H,1-3H3,(H2,21,22,23,24)
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PLK1 using biotin-ahx-AKMETTFYDDALNASFLPSEKKK-amide as substrate after 30 mins by scintillation counting analysi...


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402046
PNG
(CHEMBL2205466)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc4[nH]ncc4c3)n2)c(=O)c1=O
Show InChI InChI=1S/C19H19N7O2/c1-19(2,3)25-15-14(16(27)17(15)28)23-13-6-7-20-18(24-13)22-11-4-5-12-10(8-11)9-21-26-12/h4-9,25H,1-3H3,(H,21,26)(H2,20,22,23,24)
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402045
PNG
(CHEMBL2205422)
Show SMILES CC(=O)N1CCc2cc(Nc3nccc(Nc4c(NC(C)(C)C)c(=O)c4=O)n3)ccc12
Show InChI InChI=1S/C22H24N6O3/c1-12(29)28-10-8-13-11-14(5-6-15(13)28)24-21-23-9-7-16(26-21)25-17-18(20(31)19(17)30)27-22(2,3)4/h5-7,9,11,27H,8,10H2,1-4H3,(H2,23,24,25,26)
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20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402040
PNG
(CHEMBL2205465)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc4OCCc4c3)n2)c(=O)c1=O
Show InChI InChI=1S/C20H21N5O3/c1-20(2,3)25-16-15(17(26)18(16)27)23-14-6-8-21-19(24-14)22-12-4-5-13-11(10-12)7-9-28-13/h4-6,8,10,25H,7,9H2,1-3H3,(H2,21,22,23,24)
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22n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PLK1 using biotin-ahx-AKMETTFYDDALNASFLPSEKKK-amide as substrate after 30 mins by scintillation counting analysi...


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402042
PNG
(CHEMBL2205425)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3cccnc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-12-25-22(28-17)26-16-8-6-14(7-9-16)15-5-4-11-24-13-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PLK1 using biotin-ahx-AKMETTFYDDALNASFLPSEKKK-amide as substrate after 30 mins by scintillation counting analysi...


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402066
PNG
(CHEMBL2205445)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(Nc3ccc-4c(Cc5ccccc-45)c3)n2)c(=O)c1=O)C(C)(C)C
Show InChI InChI=1S/C27H27N5O2/c1-15(27(2,3)4)29-22-23(25(34)24(22)33)31-21-11-12-28-26(32-21)30-18-9-10-20-17(14-18)13-16-7-5-6-8-19(16)20/h5-12,14-15,29H,13H2,1-4H3,(H2,28,30,31,32)/t15-/m1/s1
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41n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402041
PNG
(CHEMBL2205464)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc4ncsc4c3)n2)c(=O)c1=O
Show InChI InChI=1S/C19H18N6O2S/c1-19(2,3)25-15-14(16(26)17(15)27)23-13-6-7-20-18(24-13)22-10-4-5-11-12(8-10)28-9-21-11/h4-9,25H,1-3H3,(H2,20,22,23,24)
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43n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PLK1 using biotin-ahx-AKMETTFYDDALNASFLPSEKKK-amide as substrate after 30 mins by scintillation counting analysi...


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402065
PNG
(CHEMBL2205448)
Show SMILES C[C@H](Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c(=O)c1=O)C(C)(C)C
Show InChI InChI=1S/C26H27N5O2/c1-16(26(2,3)4)28-21-22(24(33)23(21)32)30-20-14-15-27-25(31-20)29-19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-16,28H,1-4H3,(H2,27,29,30,31)/t16-/m0/s1
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47n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM12985
PNG
(5-Amido-pyrrolopyrazole 9d | CHEMBL402548 | N-{5-[...)
Show SMILES CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1
Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
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61n/an/an/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of Aurora C kinase


Bioorg Med Chem Lett 18: 1623-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.068
BindingDB Entry DOI: 10.7270/Q261115V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402064
PNG
(CHEMBL2205444)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c(=O)c1=O)C(C)(C)C
Show InChI InChI=1S/C26H27N5O2/c1-16(26(2,3)4)28-21-22(24(33)23(21)32)30-20-14-15-27-25(31-20)29-19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-16,28H,1-4H3,(H2,27,29,30,31)/t16-/m1/s1
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75n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402037
PNG
(CHEMBL2205424)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccccn3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-11-13-25-22(28-17)26-15-9-7-14(8-10-15)16-6-4-5-12-24-16/h4-13,29H,1-3H3,(H2,25,26,27,28)
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82n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PLK1 using biotin-ahx-AKMETTFYDDALNASFLPSEKKK-amide as substrate after 30 mins by scintillation counting analysi...


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402063
PNG
(CHEMBL2205443)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(Nc3ccc4ccccc4c3)n2)c(=O)c1=O)C(C)(C)C
Show InChI InChI=1S/C24H25N5O2/c1-14(24(2,3)4)26-19-20(22(31)21(19)30)28-18-11-12-25-23(29-18)27-17-10-9-15-7-5-6-8-16(15)13-17/h5-14,26H,1-4H3,(H2,25,27,28,29)/t14-/m1/s1
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85n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402062
PNG
(CHEMBL2205434)
Show SMILES COc1ccc(Nc2nccc(Nc3c(N[C@H](C)C(C)(C)C)c(=O)c3=O)n2)cc1
Show InChI InChI=1S/C21H25N5O3/c1-12(21(2,3)4)23-16-17(19(28)18(16)27)25-15-10-11-22-20(26-15)24-13-6-8-14(29-5)9-7-13/h6-12,23H,1-5H3,(H2,22,24,25,26)/t12-/m1/s1
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141n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402061
PNG
(CHEMBL2205436)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(Nc3ccc4OCOc4c3)n2)c(=O)c1=O)C(C)(C)C
Show InChI InChI=1S/C21H23N5O4/c1-11(21(2,3)4)23-16-17(19(28)18(16)27)25-15-7-8-22-20(26-15)24-12-5-6-13-14(9-12)30-10-29-13/h5-9,11,23H,10H2,1-4H3,(H2,22,24,25,26)/t11-/m1/s1
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165n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402060
PNG
(CHEMBL2205450)
Show SMILES CC(C)C(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccccc3)n2)c(=O)c1=O
Show InChI InChI=1S/C25H25N5O2/c1-15(2)16(3)27-21-22(24(32)23(21)31)29-20-13-14-26-25(30-20)28-19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16,27H,1-3H3,(H2,26,28,29,30)
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166n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402034
PNG
(CHEMBL2205463)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)c(=O)c1=O
Show InChI InChI=1S/C22H26N6O3/c1-22(2,3)27-18-17(19(29)20(18)30)25-16-8-9-23-21(26-16)24-14-4-6-15(7-5-14)28-10-12-31-13-11-28/h4-9,27H,10-13H2,1-3H3,(H2,23,24,25,26)
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175n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PLK1 using biotin-ahx-AKMETTFYDDALNASFLPSEKKK-amide as substrate after 30 mins by scintillation counting analysi...


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50402059
PNG
(CHEMBL2205430)
Show SMILES C[C@@H](Nc1c(Nc2ccnc(Nc3ccc(F)cc3)n2)c(=O)c1=O)C(C)(C)C
Show InChI InChI=1S/C20H22FN5O2/c1-11(20(2,3)4)23-15-16(18(28)17(15)27)25-14-9-10-22-19(26-14)24-13-7-5-12(21)6-8-13/h5-11,23H,1-4H3,(H2,22,24,25,26)/t11-/m1/s1
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232n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
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