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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50013163   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50563323
PNG
(CHEMBL4791586)
Show SMILES Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GSKbeta H350L mutant (2 to 3nd residues) using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate incubated for 40 mins in presence of [...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50073190
PNG
(CHEMBL3408213 | US11471446, Compound DBA-11)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GSKalpha S449A mutant (2 to 3nd residues) using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate incubated for 40 mins in presence of ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563321
PNG
(CHEMBL4744174)
Show SMILES Clc1cncc(-c2c[nH]c3ncccc23)c1N1CCC2(CCNC2=O)CC1
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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563310
PNG
(CHEMBL4790136)
Show SMILES Clc1cncc(-c2cccc3ccccc23)c1N1CCC2(CCNC2=O)CC1
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563313
PNG
(CHEMBL4778713)
Show SMILES Clc1cncc(-c2cccc3c4ccccc4oc23)c1N1CCC2(CCNC2=O)CC1
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
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18n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GSKbeta H350L mutant (2 to 3nd residues) using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate incubated for 40 mins in presence of [...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563303
PNG
(CHEMBL4788598)
Show SMILES Clc1cncc(-c2cccc3[nH]ccc23)c1N1CCC2(CCNC2=O)CC1
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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563325
PNG
(CHEMBL4743413)
Show SMILES Clc1cncc(-c2csc3ccccc23)c1N1CCC2(CCNC2=O)CC1
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21n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563311
PNG
(CHEMBL4757811)
Show SMILES Cc1ccc(-c2cncc(Cl)c2N2CCC3(CCNC3=O)CC2)c2ccccc12
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22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563306
PNG
(CHEMBL4798011)
Show SMILES Clc1cncc(-c2cccc3ncccc23)c1N1CCC2(CCNC2=O)CC1
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22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563314
PNG
(CHEMBL4783542)
Show SMILES Clc1cncc(-c2cccc3c4ccccc4sc23)c1N1CCC2(CCNC2=O)CC1
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24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563312
PNG
(CHEMBL4780807)
Show SMILES COc1ccc(-c2cncc(Cl)c2N2CCC3(CCNC3=O)CC2)c2ccccc12
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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563296
PNG
(CHEMBL4745572)
Show SMILES Clc1cncc(-c2cnn(c2)-c2ccccc2)c1N1CCC2(CCNC2=O)CC1
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42n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50563323
PNG
(CHEMBL4791586)
Show SMILES Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1
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43n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GSKalpha S449A mutant (2 to 3nd residues) using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate incubated for 40 mins in presence of ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563323
PNG
(CHEMBL4791586)
Show SMILES Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1
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48n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563320
PNG
(CHEMBL4778461)
Show SMILES Clc1cncc(-c2cn(c3ncccc23)S(=O)(=O)c2ccccc2)c1N1CCC2(CCNC2=O)CC1
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50n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563307
PNG
(CHEMBL4743572)
Show SMILES Clc1cncc(-c2cccc3cnccc23)c1N1CCC2(CCNC2=O)CC1
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52n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563302
PNG
(CHEMBL4800651)
Show SMILES Cn1cc2c(cccc2n1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
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52n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563319
PNG
(CHEMBL4800101)
Show SMILES Clc1cncc(-c2c[nH]c3ccccc23)c1N1CCC2(CCNC2=O)CC1
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56n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563317
PNG
(CHEMBL4758431)
Show SMILES Clc1cncc(-c2cn(Cc3ccccc3)c3ccccc23)c1N1CCC2(CCNC2=O)CC1
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58n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50073190
PNG
(CHEMBL3408213 | US11471446, Compound DBA-11)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
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61n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length PKCtheta using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scintillation counting...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563304
PNG
(CHEMBL4749963)
Show SMILES Clc1cncc(-c2cncc3ccccc23)c1N1CCC2(CCNC2=O)CC1
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66n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563316
PNG
(CHEMBL4797631)
Show SMILES Cn1c(cc2ccccc12)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
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79n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
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109n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length PKCtheta using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scintillation counting...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563309
PNG
(CHEMBL4740495)
Show SMILES Clc1cncc(-c2cccc3cccnc23)c1N1CCC2(CCNC2=O)CC1
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114n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563298
PNG
(CHEMBL4763695)
Show SMILES Clc1cncc(-c2cnn(c2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1
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124n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50563323
PNG
(CHEMBL4791586)
Show SMILES Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1
PDB
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134n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human full length PKCtheta using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scintillation counting...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563305
PNG
(CHEMBL4780661)
Show SMILES Clc1cncc(-c2ccnc3ccccc23)c1N1CCC2(CCNC2=O)CC1
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138n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563315
PNG
(CHEMBL4752645)
Show SMILES Clc1cncc(-c2cc3ccccc3[nH]2)c1N1CCC2(CCNC2=O)CC1
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156n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50073190
PNG
(CHEMBL3408213 | US11471446, Compound DBA-11)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
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231n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GSKalpha S449A mutant (2 to 3nd residues) using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate incubated for 40 mins in presence of ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50073190
PNG
(CHEMBL3408213 | US11471446, Compound DBA-11)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
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345n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GSKbeta H350L mutant (2 to 3nd residues) using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate incubated for 40 mins in presence of [...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563297
PNG
(CHEMBL4788142)
Show SMILES Clc1cncc(-c2cnn(Cc3ccccc3)c2)c1N1CCC2(CCNC2=O)CC1
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346n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563301
PNG
(CHEMBL4745917)
Show SMILES Cn1ncc2c(cccc12)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
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458n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563318
PNG
(CHEMBL4781067)
Show SMILES Clc1cncc(-c2cn(c3ccccc23)S(=O)(=O)c2ccccc2)c1N1CCC2(CCNC2=O)CC1
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645n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563300
PNG
(CHEMBL4744071)
Show SMILES Cn1ncc2cc(Nc3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12
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670n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563299
PNG
(CHEMBL4750543)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)n1cc(cn1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
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700n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563294
PNG
(CHEMBL4781772)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1-n1ccc(c1)C(N)=O
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1.09E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563324
PNG
(CHEMBL4790113)
Show SMILES Clc1cncc(-c2coc3ccccc23)c1N1CCC2(CCNC2=O)CC1
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1.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
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1.77E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/Cyclin T1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
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1.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin-B (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563295
PNG
(CHEMBL4750545)
Show SMILES CNC(=O)c1ccn(c1)-c1c(Cl)cncc1-c1ccc(cc1)-c1cnn(C)c1
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2.03E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563308
PNG
(CHEMBL4754432)
Show SMILES Clc1cncc(-c2cccc3ccncc23)c1N1CCC2(CCNC2=O)CC1
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3.14E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563293
PNG
(CHEMBL4785712)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1-n1ccc(c1)C(O)=O
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4.19E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation coun...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50563323
PNG
(CHEMBL4791586)
Show SMILES Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1
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n/an/a 2.11E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam 1-hydroxylation as substrate by LC-MS/MS analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
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n/an/a 4.59E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam 1-hydroxylation as substrate by LC-MS/MS analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
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n/an/a 1.09E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50563323
PNG
(CHEMBL4791586)
Show SMILES Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1
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n/an/a 1.47E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
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n/an/a>2.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2C19 in human liver microsomes using tolbutamide 4-hydroxylation as substrate by LC-MS/MS analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113248
BindingDB Entry DOI: 10.7270/Q2930XW8
More data for this
Ligand-Target Pair
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