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Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'hikichi' and Initial = 'y'   
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
Cyclin-C


(Homo sapiens (Human))
BDBM50248627
PNG
(CHEMBL4078454)
Show SMILES OC[C@H](Nc1cncc(n1)-c1ccc(O)c(Cl)c1)c1ccccc1 |r|
Show InChI InChI=1S/C18H16ClN3O2/c19-14-8-13(6-7-17(14)24)15-9-20-10-18(21-15)22-16(11-23)12-4-2-1-3-5-12/h1-10,16,23-24H,11H2,(H,21,22)/t16-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human His-tagged CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248633
PNG
(CHEMBL4083552)
Show SMILES NC(=O)c1sc(Oc2ccccc2)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C16H12N2O2S2/c17-15(19)14-11-7-6-9-8-18-22-13(9)12(11)16(21-14)20-10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H2,17,19)
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n/an/a 0.340n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50248645
PNG
(CHEMBL4061525)
Show SMILES CNc1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C16H14N4O2S2/c1-18-11-5-3-9(7-19-11)22-16-12-10(14(23-16)15(17)21)4-2-8-6-20-24-13(8)12/h3,5-7H,2,4H2,1H3,(H2,17,21)(H,18,19)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50232582
PNG
(CHEMBL4067710)
Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(CC)CC3)ncc2-n2cnc(C#N)c12 |r|
Show InChI InChI=1S/C29H36FN9O2/c1-6-23-26-22(14-31)33-16-38(26)24-15-32-29(36-27(24)39(23)17(3)4)35-21-13-20(30)19(12-25(21)41-5)28(40)34-18-8-10-37(7-2)11-9-18/h12-13,15-18,23H,6-11H2,1-5H3,(H,34,40)(H,32,35,36)/t23-/m1/s1
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Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Bioorg Med Chem Lett 27: 1311-1315 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248623
PNG
(CHEMBL4096487)
Show SMILES OC[C@H](Nc1cncc(c1)-c1ccc2[nH]ncc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C20H18N4O/c25-13-20(14-4-2-1-3-5-14)23-18-9-16(10-21-12-18)15-6-7-19-17(8-15)11-22-24-19/h1-12,20,23,25H,13H2,(H,22,24)/t20-/m0/s1
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human His-tagged CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248614
PNG
(CHEMBL4066819)
Show SMILES COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C19H18N4O4S2/c1-26-7-6-21-18(25)13-5-3-11(9-22-13)27-19-14-12(16(28-19)17(20)24)4-2-10-8-23-29-15(10)14/h3,5,8-9H,2,4,6-7H2,1H3,(H2,20,24)(H,21,25)
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n/an/a 0.460n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248635
PNG
(CHEMBL4070408)
Show SMILES Cc1ncccc1Oc1sc(C(N)=O)c2CCc3cnsc3-c12
Show InChI InChI=1S/C16H13N3O2S2/c1-8-11(3-2-6-18-8)21-16-12-10(14(22-16)15(17)20)5-4-9-7-19-23-13(9)12/h2-3,6-7H,4-5H2,1H3,(H2,17,20)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241875
PNG
(CHEMBL4091527)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cn[nH]c1
Show InChI InChI=1S/C22H23N5O2/c28-22(6-3-18-13-23-8-7-21(18)19-14-24-25-15-19)26-20-4-1-17(2-5-20)16-27-9-11-29-12-10-27/h1-8,13-15H,9-12,16H2,(H,24,25)(H,26,28)/b6-3+
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n/an/a 0.540n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50248633
PNG
(CHEMBL4083552)
Show SMILES NC(=O)c1sc(Oc2ccccc2)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C16H12N2O2S2/c17-15(19)14-11-7-6-9-8-18-22-13(9)12(11)16(21-14)20-10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H2,17,19)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50248656
PNG
(CHEMBL4086487)
Show SMILES CC(=O)Nc1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C17H14N4O3S2/c1-8(22)21-12-5-3-10(7-19-12)24-17-13-11(15(25-17)16(18)23)4-2-9-6-20-26-14(9)13/h3,5-7H,2,4H2,1H3,(H2,18,23)(H,19,21,22)
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n/an/a 0.570n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248656
PNG
(CHEMBL4086487)
Show SMILES CC(=O)Nc1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C17H14N4O3S2/c1-8(22)21-12-5-3-10(7-19-12)24-17-13-11(15(25-17)16(18)23)4-2-9-6-20-26-14(9)13/h3,5-7H,2,4H2,1H3,(H2,18,23)(H,19,21,22)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248645
PNG
(CHEMBL4061525)
Show SMILES CNc1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C16H14N4O2S2/c1-18-11-5-3-9(7-19-11)22-16-12-10(14(23-16)15(17)21)4-2-8-6-20-24-13(8)12/h3,5-7H,2,4H2,1H3,(H2,17,21)(H,18,19)
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n/an/a 0.590n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248640
PNG
(CHEMBL4074204)
Show SMILES NC(=O)c1sc(Oc2ccc(N)nc2)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C15H12N4O2S2/c16-10-4-2-8(6-18-10)21-15-11-9(13(22-15)14(17)20)3-1-7-5-19-23-12(7)11/h2,4-6H,1,3H2,(H2,16,18)(H2,17,20)
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n/an/a 0.600n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248690
PNG
(CHEMBL4082469)
Show SMILES CSc1sc(C(N)=O)c2CCc3cnsc3-c12
Show InChI InChI=1S/C11H10N2OS3/c1-15-11-7-6(9(16-11)10(12)14)3-2-5-4-13-17-8(5)7/h4H,2-3H2,1H3,(H2,12,14)
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n/an/a 0.650n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50248635
PNG
(CHEMBL4070408)
Show SMILES Cc1ncccc1Oc1sc(C(N)=O)c2CCc3cnsc3-c12
Show InChI InChI=1S/C16H13N3O2S2/c1-8-11(3-2-6-18-8)21-16-12-10(14(22-16)15(17)20)5-4-9-7-19-23-13(9)12/h2-3,6-7H,4-5H2,1H3,(H2,17,20)
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n/an/a 0.770n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248611
PNG
(CHEMBL4060856)
Show SMILES NC(=O)c1sc(Oc2ccc(nc2)C(N)=O)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C16H12N4O3S2/c17-14(21)10-4-2-8(6-19-10)23-16-11-9(13(24-16)15(18)22)3-1-7-5-20-25-12(7)11/h2,4-6H,1,3H2,(H2,17,21)(H2,18,22)
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n/an/a 0.930n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50248611
PNG
(CHEMBL4060856)
Show SMILES NC(=O)c1sc(Oc2ccc(nc2)C(N)=O)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C16H12N4O3S2/c17-14(21)10-4-2-8(6-19-10)23-16-11-9(13(24-16)15(18)22)3-1-7-5-20-25-12(7)11/h2,4-6H,1,3H2,(H2,17,21)(H2,18,22)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248638
PNG
(CHEMBL4062244)
Show SMILES Cc1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C16H13N3O2S2/c1-8-2-4-10(7-18-8)21-16-12-11(14(22-16)15(17)20)5-3-9-6-19-23-13(9)12/h2,4,6-7H,3,5H2,1H3,(H2,17,20)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50248614
PNG
(CHEMBL4066819)
Show SMILES COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C19H18N4O4S2/c1-26-7-6-21-18(25)13-5-3-11(9-22-13)27-19-14-12(16(28-19)17(20)24)4-2-10-8-23-29-15(10)14/h3,5,8-9H,2,4,6-7H2,1H3,(H2,20,24)(H,21,25)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
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 |r|
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


Bioorg Med Chem Lett 23: 3662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50248612
PNG
(CHEMBL4076395)
Show SMILES CNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C17H14N4O3S2/c1-19-16(23)11-5-3-9(7-20-11)24-17-12-10(14(25-17)15(18)22)4-2-8-6-21-26-13(8)12/h3,5-7H,2,4H2,1H3,(H2,18,22)(H,19,23)
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n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
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


Bioorg Med Chem Lett 23: 3662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C
More data for this
Ligand-Target Pair
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


Bioorg Med Chem Lett 23: 3662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50248640
PNG
(CHEMBL4074204)
Show SMILES NC(=O)c1sc(Oc2ccc(N)nc2)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C15H12N4O2S2/c16-10-4-2-8(6-18-10)21-15-11-9(13(22-15)14(17)20)3-1-7-5-19-23-12(7)11/h2,4-6H,1,3H2,(H2,16,18)(H2,17,20)
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248615
PNG
(CHEMBL4077627)
Show SMILES CCOCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C20H20N4O4S2/c1-2-27-8-7-22-19(26)14-6-4-12(10-23-14)28-20-15-13(17(29-20)18(21)25)5-3-11-9-24-30-16(11)15/h4,6,9-10H,2-3,5,7-8H2,1H3,(H2,21,25)(H,22,26)
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50232580
PNG
(CHEMBL4078098)
Show SMILES CC[C@H]1N(C2CCCCC2)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r|
Show InChI InChI=1S/C31H38FN9O2/c1-4-25-28-24(16-33)35-18-40(28)26-17-34-31(38-29(26)41(25)20-8-6-5-7-9-20)37-23-15-22(32)21(14-27(23)43-3)30(42)36-19-10-12-39(2)13-11-19/h14-15,17-20,25H,4-13H2,1-3H3,(H,36,42)(H,34,37,38)/t25-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Bioorg Med Chem Lett 27: 1311-1315 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50248690
PNG
(CHEMBL4082469)
Show SMILES CSc1sc(C(N)=O)c2CCc3cnsc3-c12
Show InChI InChI=1S/C11H10N2OS3/c1-15-11-7-6(9(16-11)10(12)14)3-2-5-4-13-17-8(5)7/h4H,2-3H2,1H3,(H2,12,14)
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n/an/a 1.30n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50248686
PNG
(CHEMBL4071040)
Show SMILES COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)c(C)n1
Show InChI InChI=1S/C20H20N4O4S2/c1-10-14(6-5-13(24-10)19(26)22-7-8-27-2)28-20-15-12(17(29-20)18(21)25)4-3-11-9-23-30-16(11)15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,21,25)(H,22,26)
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n/an/a 1.30n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50248638
PNG
(CHEMBL4062244)
Show SMILES Cc1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C16H13N3O2S2/c1-8-2-4-10(7-18-8)21-16-12-11(14(22-16)15(17)20)5-3-9-6-19-23-13(9)12/h2,4,6-7H,3,5H2,1H3,(H2,17,20)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50232588
PNG
(CHEMBL4094634)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C(O)=O)c12 |r|
Show InChI InChI=1S/C30H38N8O4/c1-4-22-26-25(29(40)41)32-17-37(26)23-16-31-30(35-27(23)38(22)20-7-5-6-8-20)34-21-10-9-18(15-24(21)42-3)28(39)33-19-11-13-36(2)14-12-19/h9-10,15-17,19-20,22H,4-8,11-14H2,1-3H3,(H,33,39)(H,40,41)(H,31,34,35)/t22-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Bioorg Med Chem Lett 27: 1311-1315 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248686
PNG
(CHEMBL4071040)
Show SMILES COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)c(C)n1
Show InChI InChI=1S/C20H20N4O4S2/c1-10-14(6-5-13(24-10)19(26)22-7-8-27-2)28-20-15-12(17(29-20)18(21)25)4-3-11-9-23-30-16(11)15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,21,25)(H,22,26)
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n/an/a 1.40n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50232583
PNG
(CHEMBL4074778)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r|
Show InChI InChI=1S/C30H37N9O2/c1-4-24-27-23(16-31)33-18-38(27)25-17-32-30(36-28(25)39(24)21-7-5-6-8-21)35-22-10-9-19(15-26(22)41-3)29(40)34-20-11-13-37(2)14-12-20/h9-10,15,17-18,20-21,24H,4-8,11-14H2,1-3H3,(H,34,40)(H,32,35,36)/t24-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Bioorg Med Chem Lett 27: 1311-1315 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-C


(Homo sapiens (Human))
BDBM50248662
PNG
(CHEMBL4091345)
Show SMILES NC(=O)c1sc(Oc2cccnc2)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C15H11N3O2S2/c16-14(19)13-10-4-3-8-6-18-22-12(8)11(10)15(21-13)20-9-2-1-5-17-7-9/h1-2,5-7H,3-4H2,(H2,16,19)
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241879
PNG
(CHEMBL4082587)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C26H25N5O2/c32-26(30-22-5-1-19(2-6-22)17-31-11-13-33-14-12-31)8-4-21-16-27-10-9-23(21)20-3-7-24-25(15-20)29-18-28-24/h1-10,15-16,18H,11-14,17H2,(H,28,29)(H,30,32)/b8-4+
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50232592
PNG
(CHEMBL4088932)
Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CN(C)C3)ncc2-n2cnc(C#N)c12 |r|
Show InChI InChI=1S/C26H30FN9O2/c1-6-20-23-19(9-28)30-13-35(23)21-10-29-26(33-24(21)36(20)14(2)3)32-18-8-17(27)16(7-22(18)38-5)25(37)31-15-11-34(4)12-15/h7-8,10,13-15,20H,6,11-12H2,1-5H3,(H,31,37)(H,29,32,33)/t20-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Bioorg Med Chem Lett 27: 1311-1315 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50248615
PNG
(CHEMBL4077627)
Show SMILES CCOCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C20H20N4O4S2/c1-2-27-8-7-22-19(26)14-6-4-12(10-23-14)28-20-15-13(17(29-20)18(21)25)5-3-11-9-24-30-16(11)15/h4,6,9-10H,2-3,5,7-8H2,1H3,(H2,21,25)(H,22,26)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248612
PNG
(CHEMBL4076395)
Show SMILES CNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C17H14N4O3S2/c1-19-16(23)11-5-3-9(7-20-11)24-17-12-10(14(25-17)15(18)22)4-2-8-6-21-26-13(8)12/h3,5-7H,2,4H2,1H3,(H2,18,22)(H,19,23)
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n/an/a 1.90n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50232579
PNG
(CHEMBL4103908)
Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r|
Show InChI InChI=1S/C28H34FN9O2/c1-6-22-25-21(13-30)32-15-37(25)23-14-31-28(35-26(23)38(22)16(2)3)34-20-12-19(29)18(11-24(20)40-5)27(39)33-17-7-9-36(4)10-8-17/h11-12,14-17,22H,6-10H2,1-5H3,(H,33,39)(H,31,34,35)/t22-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Bioorg Med Chem Lett 27: 1311-1315 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ
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 |r|
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


Bioorg Med Chem Lett 23: 3662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50232585
PNG
(CHEMBL4063398)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C(N)=O)c12 |r|
Show InChI InChI=1S/C30H39N9O3/c1-4-22-26-25(27(31)40)33-17-38(26)23-16-32-30(36-28(23)39(22)20-7-5-6-8-20)35-21-10-9-18(15-24(21)42-3)29(41)34-19-11-13-37(2)14-12-19/h9-10,15-17,19-20,22H,4-8,11-14H2,1-3H3,(H2,31,40)(H,34,41)(H,32,35,36)/t22-/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 human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Bioorg Med Chem Lett 27: 1311-1315 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ
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


Bioorg Med Chem Lett 23: 3662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.083
BindingDB Entry DOI: 10.7270/Q2ST7R8C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50232584
PNG
(CHEMBL4074112)
Show SMILES CCOC(=O)c1ncn-2c1[C@@H](CC)N(C1CCCC1)c1nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc-21 |r|
Show InChI InChI=1S/C32H42N8O4/c1-5-24-28-27(31(42)44-6-2)34-19-39(28)25-18-33-32(37-29(25)40(24)22-9-7-8-10-22)36-23-12-11-20(17-26(23)43-4)30(41)35-21-13-15-38(3)16-14-21/h11-12,17-19,21-22,24H,5-10,13-16H2,1-4H3,(H,35,41)(H,33,36,37)/t24-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Bioorg Med Chem Lett 27: 1311-1315 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50232578
PNG
(CHEMBL4066163)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r|
Show InChI InChI=1S/C30H36FN9O2/c1-4-24-27-23(15-32)34-17-39(27)25-16-33-30(37-28(25)40(24)19-7-5-6-8-19)36-22-14-21(31)20(13-26(22)42-3)29(41)35-18-9-11-38(2)12-10-18/h13-14,16-19,24H,4-12H2,1-3H3,(H,35,41)(H,33,36,37)/t24-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Bioorg Med Chem Lett 27: 1311-1315 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50232590
PNG
(CHEMBL4101459)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(CO)c12 |r|
Show InChI InChI=1S/C30H40N8O3/c1-4-24-27-23(17-39)32-18-37(27)25-16-31-30(35-28(25)38(24)21-7-5-6-8-21)34-22-10-9-19(15-26(22)41-3)29(40)33-20-11-13-36(2)14-12-20/h9-10,15-16,18,20-21,24,39H,4-8,11-14,17H2,1-3H3,(H,33,40)(H,31,34,35)/t24-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay


Bioorg Med Chem Lett 27: 1311-1315 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.009
BindingDB Entry DOI: 10.7270/Q2K939RQ
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248632
PNG
(CHEMBL4069854)
Show SMILES COc1sc(C(N)=O)c2CCc3cnsc3-c12
Show InChI InChI=1S/C11H10N2O2S2/c1-15-11-7-6(9(16-11)10(12)14)3-2-5-4-13-17-8(5)7/h4H,2-3H2,1H3,(H2,12,14)
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n/an/a 2.30n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50248687
PNG
(CHEMBL4090775)
Show SMILES CC(C)(O)CNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C20H20N4O4S2/c1-20(2,27)9-23-18(26)13-6-4-11(8-22-13)28-19-14-12(16(29-19)17(21)25)5-3-10-7-24-30-15(10)14/h4,6-8,27H,3,5,9H2,1-2H3,(H2,21,25)(H,23,26)
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n/an/a 2.40n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248687
PNG
(CHEMBL4090775)
Show SMILES CC(C)(O)CNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C20H20N4O4S2/c1-20(2,27)9-23-18(26)13-6-4-11(8-22-13)28-19-14-12(16(29-19)17(21)25)5-3-10-7-24-30-15(10)14/h4,6-8,27H,3,5,9H2,1-2H3,(H2,21,25)(H,23,26)
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n/an/a 2.40n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241892
PNG
(CHEMBL4072106)
Show SMILES Cn1cnc2ccc(cc12)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C27H27N5O2/c1-31-19-29-25-8-4-21(16-26(25)31)24-10-11-28-17-22(24)5-9-27(33)30-23-6-2-20(3-7-23)18-32-12-14-34-15-13-32/h2-11,16-17,19H,12-15,18H2,1H3,(H,30,33)/b9-5+
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n/an/a 2.5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50241862
PNG
(CHEMBL4059523)
Show SMILES FC1(F)CN(Cc2ccc(NC(=O)\C=C\c3cnccc3-c3cnn(c3)C3CC3)cc2)C1
Show InChI InChI=1S/C24H23F2N5O/c25-24(26)15-30(16-24)13-17-1-4-20(5-2-17)29-23(32)8-3-18-11-27-10-9-22(18)19-12-28-31(14-19)21-6-7-21/h1-5,8-12,14,21H,6-7,13,15-16H2,(H,29,32)/b8-3+
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n/an/a 2.5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...


Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM50248662
PNG
(CHEMBL4091345)
Show SMILES NC(=O)c1sc(Oc2cccnc2)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C15H11N3O2S2/c16-14(19)13-10-4-3-8-6-18-22-12(8)11(10)15(21-13)20-9-2-1-5-17-7-9/h1-2,5-7H,3-4H2,(H2,16,19)
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n/an/a 2.70n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
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