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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 8' and Ligand = 'BDBM50191357'   
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))
BDBM50191357
PNG
(CHEMBL3903492)
Show SMILES Cc1n[nH]c2ncc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H17ClN4O/c1-11-15-9-13(10-20-17(15)22-21-11)18(24)23-8-2-3-16(23)12-4-6-14(19)7-5-12/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21,22)/t16-/m0/s1
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK8 in human Jurkat cells assessed as inhibition of STAT1 phosphorylation at S727 residue measured after 24 hrs by Western blot ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00300
BindingDB Entry DOI: 10.7270/Q29W0K80
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50191357
PNG
(CHEMBL3903492)
Show SMILES Cc1n[nH]c2ncc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H17ClN4O/c1-11-15-9-13(10-20-17(15)22-21-11)18(24)23-8-2-3-16(23)12-4-6-14(19)7-5-12/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21,22)/t16-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of CDK8 in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24 hrs by luciferase reporter gene ...


J Med Chem 59: 9337-9349 (2016)


BindingDB Entry DOI: 10.7270/Q2K64M1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50191357
PNG
(CHEMBL3903492)
Show SMILES Cc1n[nH]c2ncc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H17ClN4O/c1-11-15-9-13(10-20-17(15)22-21-11)18(24)23-8-2-3-16(23)12-4-6-14(19)7-5-12/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21,22)/t16-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of CDK8 in human SW620 cells assessed as decrease in STAT1 phosphorylation at Ser727


J Med Chem 59: 9337-9349 (2016)


BindingDB Entry DOI: 10.7270/Q2K64M1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50191357
PNG
(CHEMBL3903492)
Show SMILES Cc1n[nH]c2ncc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H17ClN4O/c1-11-15-9-13(10-20-17(15)22-21-11)18(24)23-8-2-3-16(23)12-4-6-14(19)7-5-12/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21,22)/t16-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of CDK8 in human COLO205 cells expressing APC mutant assessed as suppression of WNT pathway by luciferase reporter gene assay


J Med Chem 59: 9337-9349 (2016)


BindingDB Entry DOI: 10.7270/Q2K64M1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50191357
PNG
(CHEMBL3903492)
Show SMILES Cc1n[nH]c2ncc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H17ClN4O/c1-11-15-9-13(10-20-17(15)22-21-11)18(24)23-8-2-3-16(23)12-4-6-14(19)7-5-12/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21,22)/t16-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of CDK8 in human LS174T cells expressing beta-catenin mutant assessed as suppression of WNT pathway by luciferase reporter gene assay


J Med Chem 59: 9337-9349 (2016)


BindingDB Entry DOI: 10.7270/Q2K64M1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50191357
PNG
(CHEMBL3903492)
Show SMILES Cc1n[nH]c2ncc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H17ClN4O/c1-11-15-9-13(10-20-17(15)22-21-11)18(24)23-8-2-3-16(23)12-4-6-14(19)7-5-12/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21,22)/t16-/m0/s1
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CHEMBL
MCE
PC cid
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PubMed
n/an/a 52n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of CDK8 in human PA1 cells assessed as suppression of WNT3a ligand-induced WNT pathway by luciferase reporter gene assay


J Med Chem 59: 9337-9349 (2016)


BindingDB Entry DOI: 10.7270/Q2K64M1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)