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Compile Data Set for Download or QSAR

Found 152 hits of kd data for polymerid = 3907   
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-dependent kinase 8


(Homo sapiens (Human))		BDBM50509567
PNG
(CHEMBL4455382 | US11213520, Example I-003)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccccc12
Show InChI InChI=1S/C22H20N4O/c1-25(2)22(27)15-26-14-19(12-24-26)16-7-9-17(10-8-16)21-13-23-11-18-5-3-4-6-20(18)21/h3-14H,15H2,1-2H3
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n/an/an/a 0.770n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to CDK8 (unknown origin)

ACS Med Chem Lett 11: 127-132 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00480
BindingDB Entry DOI: 10.7270/Q20Z76K1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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n/an/an/a 1.40n/an/an/a7.423



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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n/an/an/a 1.40n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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n/an/an/a 1.40n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50542371
PNG
(CHEMBL4637601)
Show SMILES [H][C@@]12CC=C(c3cccc4cnccc34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)N(C)C |r,t:3|
Show InChI InChI=1S/C30H40N2/c1-29-15-12-22(32(3)4)18-21(29)8-9-25-27-11-10-26(30(27,2)16-13-28(25)29)24-7-5-6-20-19-31-17-14-23(20)24/h5-7,10,14,17,19,21-22,25,27-28H,8-9,11-13,15-16,18H2,1-4H3/t21-,22+,25-,27-,28-,29-,30+/m0/s1
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n/an/an/a 3.5n/an/an/an/an/a



Nord University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated ligand binding to wild-type human partial length CDK8 (M1 to T360 residues) expressed in Escherichia coli BL21 measured af...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115461
BindingDB Entry DOI: 10.7270/Q2Z60SMZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50542370
PNG
(CHEMBL4648955)
Show SMILES [H][C@@]12CC=C(c3cncc(Cl)c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)N(C)C |r,t:3|
Show InChI InChI=1S/C26H37ClN2/c1-25-11-9-20(29(3)4)14-18(25)5-6-21-23-8-7-22(17-13-19(27)16-28-15-17)26(23,2)12-10-24(21)25/h7,13,15-16,18,20-21,23-24H,5-6,8-12,14H2,1-4H3/t18-,20+,21-,23-,24-,25-,26+/m0/s1
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n/an/an/a 13n/an/an/an/an/a



Nord University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated ligand binding to wild-type human partial length CDK8 (M1 to T360 residues) expressed in Escherichia coli BL21 measured af...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115461
BindingDB Entry DOI: 10.7270/Q2Z60SMZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50248631
PNG
(CHEMBL4080906)
Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C |r,t:21,23|
Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1
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n/an/an/a 17n/an/an/an/an/a



Shaoxing University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assay

Eur J Med Chem 164: 77-91 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.076
BindingDB Entry DOI: 10.7270/Q25142PT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50248631
PNG
(CHEMBL4080906)
Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C |r,t:21,23|
Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1
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n/an/an/a 17n/an/an/an/an/a



Shaoxing University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assay

Eur J Med Chem 164: 77-91 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.076
BindingDB Entry DOI: 10.7270/Q25142PT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50542374
PNG
(CHEMBL4635162)
Show SMILES [H][C@@]12CC[C@H](c3ccc4cnccc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C |r,t:21,23|
Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-4-5-20-17-31-13-9-18(20)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1
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n/an/an/a 17n/an/an/an/an/a



Nord University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated ligand binding to wild-type human partial length CDK8 (M1 to T360 residues) expressed in Escherichia coli BL21 measured af...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115461
BindingDB Entry DOI: 10.7270/Q2Z60SMZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50542374
PNG
(CHEMBL4635162)
Show SMILES [H][C@@]12CC[C@H](c3ccc4cnccc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C |r,t:21,23|
Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-4-5-20-17-31-13-9-18(20)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1
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n/an/an/a 17n/an/an/an/an/a



Nord University

Curated by ChEMBL


Assay Description
Binding affinity to CDK8 (unknown origin)

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115461
BindingDB Entry DOI: 10.7270/Q2Z60SMZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50542373
PNG
(CHEMBL4637411)
Show SMILES [H][C@@]12CC=C(c3ccc4ccncc4c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)N(C)C |r,t:3|
Show InChI InChI=1S/C30H40N2/c1-29-14-11-24(32(3)4)18-23(29)7-8-25-27-10-9-26(30(27,2)15-12-28(25)29)21-6-5-20-13-16-31-19-22(20)17-21/h5-6,9,13,16-17,19,23-25,27-28H,7-8,10-12,14-15,18H2,1-4H3/t23-,24+,25-,27-,28-,29-,30+/m0/s1
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n/an/an/a 18n/an/an/an/an/a



Nord University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated ligand binding to wild-type human partial length CDK8 (M1 to T360 residues) expressed in Escherichia coli BL21 measured af...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115461
BindingDB Entry DOI: 10.7270/Q2Z60SMZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		CHEMBL5270079
PNG
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n/an/an/a 30n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50509569
PNG
(CHEMBL4456001)
Show SMILES Cn1ncc2ccc(cc12)N1CCN(CC1)c1cncc2ccccc12
Show InChI InChI=1S/C21H21N5/c1-24-20-12-18(7-6-17(20)14-23-24)25-8-10-26(11-9-25)21-15-22-13-16-4-2-3-5-19(16)21/h2-7,12-15H,8-11H2,1H3
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n/an/an/a 30n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to CDK8 (unknown origin)

ACS Med Chem Lett 11: 127-132 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00480
BindingDB Entry DOI: 10.7270/Q20Z76K1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50509568
PNG
(CHEMBL4584784)
Show SMILES CC(=O)c1ccc2cncc(N3CCN(CC3)c3ccc4cnn(C)c4c3)c2c1
Show InChI InChI=1S/C23H23N5O/c1-16(29)17-3-4-18-13-24-15-23(21(18)11-17)28-9-7-27(8-10-28)20-6-5-19-14-25-26(2)22(19)12-20/h3-6,11-15H,7-10H2,1-2H3
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n/an/an/a 32n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to CDK8 (unknown origin)

ACS Med Chem Lett 11: 127-132 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00480
BindingDB Entry DOI: 10.7270/Q20Z76K1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50542369
PNG
(CHEMBL4633633)
Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)N(C)C |r,t:3|
Show InChI InChI=1S/C26H38N2/c1-25-13-11-20(28(3)4)16-19(25)7-8-21-23-10-9-22(18-6-5-15-27-17-18)26(23,2)14-12-24(21)25/h5-6,9,15,17,19-21,23-24H,7-8,10-14,16H2,1-4H3/t19-,20+,21-,23-,24-,25-,26+/m0/s1
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n/an/an/a 41n/an/an/an/an/a



Nord University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated ligand binding to wild-type human partial length CDK8 (M1 to T360 residues) expressed in Escherichia coli BL21 measured af...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115461
BindingDB Entry DOI: 10.7270/Q2Z60SMZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50542372
PNG
(CHEMBL4646453)
Show SMILES [H][C@@]12CC=C(c3ccc4cnccc4c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)N(C)C |r,t:3|
Show InChI InChI=1S/C30H40N2/c1-29-14-11-24(32(3)4)18-23(29)7-8-25-27-10-9-26(30(27,2)15-12-28(25)29)21-5-6-22-19-31-16-13-20(22)17-21/h5-6,9,13,16-17,19,23-25,27-28H,7-8,10-12,14-15,18H2,1-4H3/t23-,24+,25-,27-,28-,29-,30+/m0/s1
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n/an/an/a 45n/an/an/an/an/a



Nord University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated ligand binding to wild-type human partial length CDK8 (M1 to T360 residues) expressed in Escherichia coli BL21 measured af...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115461
BindingDB Entry DOI: 10.7270/Q2Z60SMZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(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/an/a 46n/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to partial length wild-type human CDK8 (M1 to T360residues) expressed in bacterial expression system by kinome scan 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-dependent kinase 8


(Homo sapiens (Human))		BDBM50585694
PNG
(CHEMBL4878072)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2cc(CCNc3ccnc4ccc(cc34)C#N)ccc2c1
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n/an/an/a 55n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human CDK8 assessed as dissociation constant by KdELECT Discover assay

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01951
BindingDB Entry DOI: 10.7270/Q2WD44G8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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n/an/an/a 95n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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n/an/an/a 95n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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n/an/an/a 95n/an/an/a7.423



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM31099
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S)-3-hydroxy...)
Show SMILES CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12?,17-/m1/s1
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n/an/an/a 120n/an/an/a7.423



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/an/a 120n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/an/a 120n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50355504
PNG
(CHEMBL1908393)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
Show InChI InChI=1S/C34H36F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3,5-9,12,19-22H,2,4,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/an/a 130n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50248629
PNG
(CHEMBL4076837 | US11471446, Compound DBA-9)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2cc(CCNc3ncnc4ccc(cc34)C#N)ccc2c1
Show InChI InChI=1S/C27H26N6O/c1-32-10-12-33(13-11-32)27(34)23-6-5-21-14-19(2-4-22(21)16-23)8-9-29-26-24-15-20(17-28)3-7-25(24)30-18-31-26/h2-7,14-16,18H,8-13H2,1H3,(H,29,30,31)
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n/an/an/a 140n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/an/a 220n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/an/a 220n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/an/a 220n/an/an/a7.423



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a 310n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to CDK8

Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a 310n/an/an/a7.423



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a 310n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a 310n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/an/a 510n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1
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Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50509570
PNG
(CHEMBL4447689)
Show SMILES Cc1nc(CC(=O)N2CCN(CC2)c2cncc3ccccc23)co1
Show InChI InChI=1S/C19H20N4O2/c1-14-21-16(13-25-14)10-19(24)23-8-6-22(7-9-23)18-12-20-11-15-4-2-3-5-17(15)18/h2-5,11-13H,6-10H2,1H3
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n/an/an/a 600n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to CDK8 (unknown origin)

ACS Med Chem Lett 11: 127-132 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00480
BindingDB Entry DOI: 10.7270/Q20Z76K1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50459994
PNG
(CHEMBL4226806 | US11471446, Compound DBA-8)
Show SMILES N#Cc1ccc2ncnc(NCCc3ccccc3)c2c1
Show InChI InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)
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n/an/an/a 830n/an/an/an/an/a



Shaoxing University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assay

Eur J Med Chem 164: 77-91 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.076
BindingDB Entry DOI: 10.7270/Q25142PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50459994
PNG
(CHEMBL4226806 | US11471446, Compound DBA-8)
Show SMILES N#Cc1ccc2ncnc(NCCc3ccccc3)c2c1
Show InChI InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)
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n/an/an/a 830n/an/an/an/an/a



Shaoxing University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assay

Eur J Med Chem 164: 77-91 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.076
BindingDB Entry DOI: 10.7270/Q25142PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50532781
PNG
(CHEMBL4571241)
Show SMILES CCc1ccc2n(C)c(C)c(C(=O)Nc3ccc(Oc4ncnc5cc(OC)c(OC)cc45)c(F)c3)c(=O)c2c1
Show InChI InChI=1S/C30H27FN4O5/c1-6-17-7-9-23-20(11-17)28(36)27(16(2)35(23)3)29(37)34-18-8-10-24(21(31)12-18)40-30-19-13-25(38-4)26(39-5)14-22(19)32-15-33-30/h7-15H,6H2,1-5H3,(H,34,37)
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n/an/an/a>1.00E+3n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human CDK8

J Med Chem 59: 6807-25 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00608
BindingDB Entry DOI: 10.7270/Q2N301FS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50532781
PNG
(CHEMBL4571241)
Show SMILES CCc1ccc2n(C)c(C)c(C(=O)Nc3ccc(Oc4ncnc5cc(OC)c(OC)cc45)c(F)c3)c(=O)c2c1
Show InChI InChI=1S/C30H27FN4O5/c1-6-17-7-9-23-20(11-17)28(36)27(16(2)35(23)3)29(37)34-18-8-10-24(21(31)12-18)40-30-19-13-25(38-4)26(39-5)14-22(19)32-15-33-30/h7-15H,6H2,1-5H3,(H,34,37)
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n/an/an/a>1.00E+3n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human CDK8

J Med Chem 59: 6807-25 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00608
BindingDB Entry DOI: 10.7270/Q2N301FS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM5931
PNG
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
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n/an/an/a 1.20E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM5931
PNG
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
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n/an/an/a 1.20E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM5931
PNG
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
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n/an/an/a 1.20E+3n/an/an/a7.423



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM50560888
PNG
(CHEMBL4749646)
Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)N3CCC(CCN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)c12 |r,wU:12.11,15.18,(12.72,-9.27,;13.1,-10.45,;14.3,-10.7,;12.07,-11.59,;10.53,-11.42,;9.91,-12.83,;11.05,-13.86,;11.04,-15.41,;12.38,-16.18,;13.71,-15.41,;13.72,-13.87,;15.05,-13.1,;16.39,-13.88,;17.72,-13.12,;19.05,-13.89,;19.05,-15.43,;17.71,-16.2,;16.38,-15.42,;20.38,-16.21,;20.37,-17.75,;21.71,-18.53,;23.04,-17.77,;23.04,-16.23,;21.71,-15.44,;24.38,-18.54,;24.37,-19.77,;25.71,-17.77,;27.04,-18.55,;28.39,-17.78,;28.39,-16.55,;29.72,-18.55,;31.05,-17.79,;32.38,-18.56,;32.38,-20.11,;33.71,-20.88,;33.7,-22.42,;35.03,-23.2,;35.02,-24.74,;36.36,-25.52,;37.69,-24.75,;37.7,-23.22,;36.37,-22.43,;39.03,-25.53,;40.36,-24.76,;41.7,-25.54,;41.69,-27.08,;42.84,-28.11,;44.05,-27.86,;42.21,-29.51,;43.05,-30.8,;42.26,-32.12,;43,-33.47,;44.54,-33.5,;45.14,-34.58,;45.33,-32.18,;44.59,-30.83,;45.22,-29.77,;40.67,-29.35,;39.84,-30.27,;40.36,-27.85,;39.02,-27.07,;31.04,-20.87,;29.71,-20.09,;12.38,-13.1,)|
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n/an/an/a 1.40E+3n/an/an/an/an/a


TBA

Assay Description
Displacement of polymer supported probe 25 binding to CDK8 in human THP-1 cell lysates preincubated for 45 mins under shaking condition followed by p...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
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n/an/an/a 1.90E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM31340
PNG
(2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin...)
Show SMILES COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
Show InChI InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+
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n/an/an/a 2.30E+3n/an/an/an/an/a



Shaoxing University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assay

Eur J Med Chem 164: 77-91 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.076
BindingDB Entry DOI: 10.7270/Q25142PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM31340
PNG
(2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin...)
Show SMILES COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
Show InChI InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+
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n/an/an/a 2.30E+3n/an/an/an/an/a



Shaoxing University

Curated by ChEMBL


Assay Description
Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assay

Eur J Med Chem 164: 77-91 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.076
BindingDB Entry DOI: 10.7270/Q25142PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM31340
PNG
(2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin...)
Show SMILES COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
Show InChI InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+
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n/an/an/a 2.30E+3n/an/an/a7.423



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZHH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))		BDBM31340
PNG
(2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin...)
Show SMILES COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
Show InChI InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+
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n/an/an/a 2.30E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDK8 kinase domain

Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
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