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Compile Data Set for Download or QSAR

Found 139 hits Enz. Inhib. hit(s) with all data for entry = 50002789   
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
Protein kinase C beta type


(Homo sapiens (Human))
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of DAG-activated human PKCbeta1 after 10 mins in presence of [32P]ATP by beta scintillation counting method


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of DAG-activated human PKCbeta2 after 10 mins in presence of [32P]ATP by beta scintillation counting method


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50128285
PNG
(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmet...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)
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n/an/a 6n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta (unknown origin)


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Rattus norvegicus (rat))
BDBM3175
PNG
(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)
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n/an/a 6.80n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat GSK-3beta using RRAAEELDSRAGS(P)PQL as substrate after 15 mins in presence of [gamma-32P]-ATP by scintillation counting meth...


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM2605
PNG
((Arylindolyl)maleimide deriv. 27 | 3-(1-methyl-1H-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ncccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C21H16N4O2/c1-24-10-14(12-6-3-4-8-16(12)24)17-18(21(27)23-20(17)26)15-11-25(2)19-13(15)7-5-9-22-19/h3-11H,1-2H3,(H,23,26,27)
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n/an/a 30n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50128285
PNG
(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmet...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)
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n/an/a 39n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha (unknown origin)


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM2605
PNG
((Arylindolyl)maleimide deriv. 27 | 3-(1-methyl-1H-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ncccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C21H16N4O2/c1-24-10-14(12-6-3-4-8-16(12)24)17-18(21(27)23-20(17)26)15-11-25(2)19-13(15)7-5-9-22-19/h3-11H,1-2H3,(H,23,26,27)
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n/an/a 80n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst...


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Protein kinase C gamma type


(Homo sapiens (Human))
BDBM50128285
PNG
(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmet...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)
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n/an/a 83n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of PKCgamma (unknown origin)


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM2605
PNG
((Arylindolyl)maleimide deriv. 27 | 3-(1-methyl-1H-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ncccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C21H16N4O2/c1-24-10-14(12-6-3-4-8-16(12)24)17-18(21(27)23-20(17)26)15-11-25(2)19-13(15)7-5-9-22-19/h3-11H,1-2H3,(H,23,26,27)
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n/an/a 100n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of full length human CDK2/cyclin A using histone H1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM50128285
PNG
(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmet...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)
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n/an/a 110n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of PKCepsilon (unknown origin)


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463034
PNG
(CHEMBL4238971)
Show SMILES O=C1NC(=O)C(=C1c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:5|
Show InChI InChI=1S/C32H31N5O2/c33-17-9-1-3-11-19-36-21-25(23-13-5-7-15-27(23)36)29-30(32(39)35-31(29)38)26-22-37(20-12-4-2-10-18-34)28-16-8-6-14-24(26)28/h5-8,13-16,21-22H,1-4,9-12,19-20H2,(H,35,38,39)
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n/an/a 120n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463027
PNG
(CHEMBL4242235)
Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C21H15N3O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-18(20(25)24(27)21(19)26)14-10-22-16-8-4-2-6-12(14)16/h2-11,22,27H,1H3
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n/an/a 200n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463030
PNG
(CHEMBL4239321)
Show SMILES CC(C)n1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:6|
Show InChI InChI=1S/C24H21N3O3/c1-14(2)26-13-18(16-9-5-7-11-20(16)26)22-21(23(28)27(30)24(22)29)17-12-25(3)19-10-6-4-8-15(17)19/h4-14,30H,1-3H3
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n/an/a 200n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin)


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463035
PNG
(CHEMBL4245590)
Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC#N)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C27H24N4O3/c1-29-16-20(18-10-4-6-12-22(18)29)24-25(27(33)31(34)26(24)32)21-17-30(15-9-3-2-8-14-28)23-13-7-5-11-19(21)23/h4-7,10-13,16-17,34H,2-3,8-9,15H2,1H3
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n/an/a 270n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Protein kinase C gamma type


(Homo sapiens (Human))
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of DAG-activated human PKCgamma after 10 mins in presence of [32P]ATP by beta scintillation counting method


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463036
PNG
(CHEMBL4246062)
Show SMILES CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:5|
Show InChI InChI=1S/C23H19N3O3/c1-3-25-13-17(15-9-5-7-11-19(15)25)21-20(22(27)26(29)23(21)28)16-12-24(2)18-10-6-4-8-14(16)18/h4-13,29H,3H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Rattus norvegicus (rat))
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 360n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat GSK-3beta using RRAAEELDSRAGS(P)PQL as substrate after 15 mins in presence of [gamma-32P]-ATP by scintillation counting meth...


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of DAG-activated human PKCalpha after 10 mins in presence of [32P]ATP by beta scintillation counting method


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463028
PNG
(CHEMBL4238883)
Show SMILES CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C(C)C)c3ccccc23)c2ccccc12 |t:5|
Show InChI InChI=1S/C25H23N3O3/c1-4-26-13-18(16-9-5-7-11-20(16)26)22-23(25(30)28(31)24(22)29)19-14-27(15(2)3)21-12-8-6-10-17(19)21/h5-15,31H,4H2,1-3H3
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n/an/a 400n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50463034
PNG
(CHEMBL4238971)
Show SMILES O=C1NC(=O)C(=C1c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:5|
Show InChI InChI=1S/C32H31N5O2/c33-17-9-1-3-11-19-36-21-25(23-13-5-7-15-27(23)36)29-30(32(39)35-31(29)38)26-22-37(20-12-4-2-10-18-34)28-16-8-6-14-24(26)28/h5-8,13-16,21-22H,1-4,9-12,19-20H2,(H,35,38,39)
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n/an/a 420n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst...


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of DAG-activated human PKCepsilon after 10 mins in presence of [32P]ATP by beta scintillation counting method


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50463034
PNG
(CHEMBL4238971)
Show SMILES O=C1NC(=O)C(=C1c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:5|
Show InChI InChI=1S/C32H31N5O2/c33-17-9-1-3-11-19-36-21-25(23-13-5-7-15-27(23)36)29-30(32(39)35-31(29)38)26-22-37(20-12-4-2-10-18-34)28-16-8-6-14-24(26)28/h5-8,13-16,21-22H,1-4,9-12,19-20H2,(H,35,38,39)
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n/an/a 620n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat DYRK1A kinase domain expressed in bacteria using KKISGRLSPIMTEQ as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50463026
PNG
(CHEMBL4240779)
Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC(O)=O)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C27H25N3O5/c1-28-15-19(17-9-4-6-11-21(17)28)24-25(27(34)30(35)26(24)33)20-16-29(14-8-2-3-13-23(31)32)22-12-7-5-10-18(20)22/h4-7,9-12,15-16,35H,2-3,8,13-14H2,1H3,(H,31,32)
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n/an/a 700n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst...


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50463028
PNG
(CHEMBL4238883)
Show SMILES CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C(C)C)c3ccccc23)c2ccccc12 |t:5|
Show InChI InChI=1S/C25H23N3O3/c1-4-26-13-18(16-9-5-7-11-20(16)26)22-23(25(30)28(31)24(22)29)19-14-27(15(2)3)21-12-8-6-10-17(19)21/h5-15,31H,4H2,1-3H3
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n/an/a 700n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst...


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of wild type PDK1 (unknown origin)


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463024
PNG
(CHEMBL4241699)
Show SMILES ON1C(=O)C(=C(C1=O)c1cn(CCCCCC(O)=O)c2ccccc12)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C26H23N3O5/c30-22(31)12-2-1-7-13-28-15-19(17-9-4-6-11-21(17)28)24-23(25(32)29(34)26(24)33)18-14-27-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,27,34H,1-2,7,12-13H2,(H,30,31)
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n/an/a 750n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463033
PNG
(CHEMBL4244860)
Show SMILES ON1C(=O)C(=C(C1=O)c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:4|
Show InChI InChI=1S/C32H31N5O3/c33-17-9-1-3-11-19-35-21-25(23-13-5-7-15-27(23)35)29-30(32(39)37(40)31(29)38)26-22-36(20-12-4-2-10-18-34)28-16-8-6-14-24(26)28/h5-8,13-16,21-22,40H,1-4,9-12,19-20H2
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n/an/a 750n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM2605
PNG
((Arylindolyl)maleimide deriv. 27 | 3-(1-methyl-1H-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ncccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C21H16N4O2/c1-24-10-14(12-6-3-4-8-16(12)24)17-18(21(27)23-20(17)26)15-11-25(2)19-13(15)7-5-9-22-19/h3-11H,1-2H3,(H,23,26,27)
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n/an/a 800n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human CDK5/p25 expressed in bacteria using histone H1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50463026
PNG
(CHEMBL4240779)
Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC(O)=O)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C27H25N3O5/c1-28-15-19(17-9-4-6-11-21(17)28)24-25(27(34)30(35)26(24)33)20-16-29(14-8-2-3-13-23(31)32)22-12-7-5-10-18(20)22/h4-7,9-12,15-16,35H,2-3,8,13-14H2,1H3,(H,31,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat DYRK1A kinase domain expressed in bacteria using KKISGRLSPIMTEQ as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50463036
PNG
(CHEMBL4246062)
Show SMILES CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:5|
Show InChI InChI=1S/C23H19N3O3/c1-3-25-13-17(15-9-5-7-11-19(15)25)21-20(22(27)26(29)23(21)28)16-12-24(2)18-10-6-4-8-14(16)18/h4-13,29H,3H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst...


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50463030
PNG
(CHEMBL4239321)
Show SMILES CC(C)n1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:6|
Show InChI InChI=1S/C24H21N3O3/c1-14(2)26-13-18(16-9-5-7-11-20(16)26)22-21(23(28)27(30)24(22)29)17-12-25(3)19-10-6-4-8-15(17)19/h4-14,30H,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst...


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463031
PNG
(CHEMBL4249393)
Show SMILES CC(C)n1cc(C2=C(C(=O)N(O)C2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:6|
Show InChI InChI=1S/C23H19N3O3/c1-13(2)25-12-17(15-8-4-6-10-19(15)25)21-20(22(27)26(29)23(21)28)16-11-24-18-9-5-3-7-14(16)18/h3-13,24,29H,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50463027
PNG
(CHEMBL4242235)
Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C21H15N3O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-18(20(25)24(27)21(19)26)14-10-22-16-8-4-2-6-12(14)16/h2-11,22,27H,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst...


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM2605
PNG
((Arylindolyl)maleimide deriv. 27 | 3-(1-methyl-1H-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ncccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C21H16N4O2/c1-24-10-14(12-6-3-4-8-16(12)24)17-18(21(27)23-20(17)26)15-11-25(2)19-13(15)7-5-9-22-19/h3-11H,1-2H3,(H,23,26,27)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human PIM1 expressed in bacteria using histone H1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50463024
PNG
(CHEMBL4241699)
Show SMILES ON1C(=O)C(=C(C1=O)c1cn(CCCCCC(O)=O)c2ccccc12)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C26H23N3O5/c30-22(31)12-2-1-7-13-28-15-19(17-9-4-6-11-21(17)28)24-23(25(32)29(34)26(24)33)18-14-27-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,27,34H,1-2,7,12-13H2,(H,30,31)
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University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat DYRK1A kinase domain expressed in bacteria using KKISGRLSPIMTEQ as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50463024
PNG
(CHEMBL4241699)
Show SMILES ON1C(=O)C(=C(C1=O)c1cn(CCCCCC(O)=O)c2ccccc12)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C26H23N3O5/c30-22(31)12-2-1-7-13-28-15-19(17-9-4-6-11-21(17)28)24-23(25(32)29(34)26(24)33)18-14-27-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,27,34H,1-2,7,12-13H2,(H,30,31)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst...


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50463035
PNG
(CHEMBL4245590)
Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC#N)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C27H24N4O3/c1-29-16-20(18-10-4-6-12-22(18)29)24-25(27(33)31(34)26(24)32)21-17-30(15-9-3-2-8-14-28)23-13-7-5-11-19(21)23/h4-7,10-13,16-17,34H,2-3,8-9,15H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst...


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50463034
PNG
(CHEMBL4238971)
Show SMILES O=C1NC(=O)C(=C1c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:5|
Show InChI InChI=1S/C32H31N5O2/c33-17-9-1-3-11-19-36-21-25(23-13-5-7-15-27(23)36)29-30(32(39)35-31(29)38)26-22-37(20-12-4-2-10-18-34)28-16-8-6-14-24(26)28/h5-8,13-16,21-22H,1-4,9-12,19-20H2,(H,35,38,39)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of full length human CDK2/cyclin A using histone H1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463029
PNG
(CHEMBL4241803)
Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C22H17N3O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-20(22(27)25(28)21(19)26)16-12-24(2)18-10-6-4-8-14(16)18/h3-12,28H,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463026
PNG
(CHEMBL4240779)
Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC(O)=O)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C27H25N3O5/c1-28-15-19(17-9-4-6-11-21(17)28)24-25(27(34)30(35)26(24)33)20-16-29(14-8-2-3-13-23(31)32)22-12-7-5-10-18(20)22/h4-7,9-12,15-16,35H,2-3,8,13-14H2,1H3,(H,31,32)
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n/an/a 3.20E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50463026
PNG
(CHEMBL4240779)
Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC(O)=O)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C27H25N3O5/c1-28-15-19(17-9-4-6-11-21(17)28)24-25(27(34)30(35)26(24)33)20-16-29(14-8-2-3-13-23(31)32)22-12-7-5-10-18(20)22/h4-7,9-12,15-16,35H,2-3,8,13-14H2,1H3,(H,31,32)
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n/an/a 4.00E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of full length human CDK2/cyclin A using histone H1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50463025
PNG
(CHEMBL4238093)
Show SMILES ON1C(=O)C(=C(C1=O)c1c[nH]c2ncccc12)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C19H12N4O3/c24-18-15(12-8-21-14-6-2-1-4-10(12)14)16(19(25)23(18)26)13-9-22-17-11(13)5-3-7-20-17/h1-9,21,26H,(H,20,22)
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n/an/a 4.00E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50463025
PNG
(CHEMBL4238093)
Show SMILES ON1C(=O)C(=C(C1=O)c1c[nH]c2ncccc12)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C19H12N4O3/c24-18-15(12-8-21-14-6-2-1-4-10(12)14)16(19(25)23(18)26)13-9-22-17-11(13)5-3-7-20-17/h1-9,21,26H,(H,20,22)
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n/an/a 4.50E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human PIM1 expressed in bacteria using histone H1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50463035
PNG
(CHEMBL4245590)
Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC#N)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C27H24N4O3/c1-29-16-20(18-10-4-6-12-22(18)29)24-25(27(33)31(34)26(24)32)21-17-30(15-9-3-2-8-14-28)23-13-7-5-11-19(21)23/h4-7,10-13,16-17,34H,2-3,8-9,15H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat DYRK1A kinase domain expressed in bacteria using KKISGRLSPIMTEQ as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50463027
PNG
(CHEMBL4242235)
Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C21H15N3O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-18(20(25)24(27)21(19)26)14-10-22-16-8-4-2-6-12(14)16/h2-11,22,27H,1H3
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University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human PIM1 expressed in bacteria using histone H1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50463030
PNG
(CHEMBL4239321)
Show SMILES CC(C)n1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:6|
Show InChI InChI=1S/C24H21N3O3/c1-14(2)26-13-18(16-9-5-7-11-20(16)26)22-21(23(28)27(30)24(22)29)17-12-25(3)19-10-6-4-8-15(17)19/h4-14,30H,1-3H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of full length human CDK2/cyclin A using histone H1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50463029
PNG
(CHEMBL4241803)
Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C22H17N3O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-20(22(27)25(28)21(19)26)16-12-24(2)18-10-6-4-8-14(16)18/h3-12,28H,1-2H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst...


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50463024
PNG
(CHEMBL4241699)
Show SMILES ON1C(=O)C(=C(C1=O)c1cn(CCCCCC(O)=O)c2ccccc12)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C26H23N3O5/c30-22(31)12-2-1-7-13-28-15-19(17-9-4-6-11-21(17)28)24-23(25(32)29(34)26(24)33)18-14-27-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,27,34H,1-2,7,12-13H2,(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human CDK5/p25 expressed in bacteria using histone H1 as substrate in presence of [gamma-33P]ATP


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50463025
PNG
(CHEMBL4238093)
Show SMILES ON1C(=O)C(=C(C1=O)c1c[nH]c2ncccc12)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C19H12N4O3/c24-18-15(12-8-21-14-6-2-1-4-10(12)14)16(19(25)23(18)26)13-9-22-17-11(13)5-3-7-20-17/h1-9,21,26H,(H,20,22)
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University College Cork

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human aurora B expressed in baculovirus infected Sf9 insect cells using MBP as substrate in presence of [gamma-...


Bioorg Med Chem 26: 4209-4224 (2018)


Article DOI: 10.1016/j.bmc.2018.07.012
BindingDB Entry DOI: 10.7270/Q270843T
More data for this
Ligand-Target Pair
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