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Compile Data Set for Download or QSAR

Found 2535 hits for UniProtKB: Q00535   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50113281
PNG
(AT-7519)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1
Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
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18n/an/an/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged CDK5/N-terminal GST-tagged p25 expressed in baculovirus infected Sf21 insect cells...


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395894
PNG
(CHEMBL2163771)
Show SMILES Oc1cnc2oc3c(cc(O)c4ccccc34)c2c1-c1ccccc1
Show InChI InChI=1S/C21H13NO3/c23-16-10-15-19-18(12-6-2-1-3-7-12)17(24)11-22-21(19)25-20(15)14-9-5-4-8-13(14)16/h1-11,23-24H
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70n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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110n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50155426
PNG
(1,3,5,8-Tetrahydroxy-xanthen-9-one | 1,3,5,8-tetra...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
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140n/an/an/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525155
PNG
(CHEMBL4561424)
Show SMILES NS(=O)(=O)c1cccc(Nc2ncc3CCCCc3n2)c1
Show InChI InChI=1S/C14H16N4O2S/c15-21(19,20)12-6-3-5-11(8-12)17-14-16-9-10-4-1-2-7-13(10)18-14/h3,5-6,8-9H,1-2,4,7H2,(H2,15,19,20)(H,16,17,18)
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160n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50155426
PNG
(1,3,5,8-Tetrahydroxy-xanthen-9-one | 1,3,5,8-tetra...)
Show SMILES Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
Show InChI InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
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200n/a 200n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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416n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK5 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50133557
PNG
(1-[2-(2,6-Dichloro-benzyl)-thiazol-4-yl]-3-morphol...)
Show SMILES Clc1cccc(Cl)c1Cc1nc(NC(=O)NN2CCOCC2)cs1
Show InChI InChI=1S/C15H16Cl2N4O2S/c16-11-2-1-3-12(17)10(11)8-14-18-13(9-24-14)19-15(22)20-21-4-6-23-7-5-21/h1-3,9H,4-8H2,(H2,19,20,22)
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500n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of Tau Protein Kinase II (TPK II)


Bioorg Med Chem Lett 13: 3491-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00726-1
BindingDB Entry DOI: 10.7270/Q2XG9QHN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM59194
PNG
(4-aminothiazole, 2.0)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)N(=O)=O
Show InChI InChI=1S/C16H11ClN4O3S/c17-10-4-6-11(7-5-10)19-16-20-15(18)14(25-16)13(22)9-2-1-3-12(8-9)21(23)24/h1-8H,18H2,(H,19,20)
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660n/a 2.00E+3n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM59194
PNG
(4-aminothiazole, 2.0)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)N(=O)=O
Show InChI InChI=1S/C16H11ClN4O3S/c17-10-4-6-11(7-5-10)19-16-20-15(18)14(25-16)13(22)9-2-1-3-12(8-9)21(23)24/h1-8H,18H2,(H,19,20)
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690n/an/an/an/an/an/an/an/a



Harvard Medical School



Assay Description
Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...


Chem Biol 12: 811-23 (2005)


Article DOI: 10.1016/j.chembiol.2005.05.011
BindingDB Entry DOI: 10.7270/Q2ST7N84
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525156
PNG
(CHEMBL4476248)
Show SMILES Cc1cccc(Nc2ncc3CCCCc3n2)c1
Show InChI InChI=1S/C15H17N3/c1-11-5-4-7-13(9-11)17-15-16-10-12-6-2-3-8-14(12)18-15/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,16,17,18)
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800n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525162
PNG
(CHEMBL4434651)
Show SMILES C1CCc2nc(Nc3ccccc3)ncc2C1
Show InChI InChI=1S/C14H15N3/c1-2-7-12(8-3-1)16-14-15-10-11-6-4-5-9-13(11)17-14/h1-3,7-8,10H,4-6,9H2,(H,15,16,17)
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880n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525160
PNG
(CHEMBL4522230)
Show SMILES Cc1ccccc1Nc1ncc2CCCCc2n1
Show InChI InChI=1S/C15H17N3/c1-11-6-2-4-8-13(11)17-15-16-10-12-7-3-5-9-14(12)18-15/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,16,17,18)
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990n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50193090
PNG
(CHEMBL3895785)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(F)c(NS(C)(=O)=O)c2)ncn1
Show InChI InChI=1S/C18H17FN4O3S/c1-26-17-6-4-3-5-13(17)15-10-18(21-11-20-15)22-12-7-8-14(19)16(9-12)23-27(2,24)25/h3-11,23H,1-2H3,(H,20,21,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin)


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525157
PNG
(CHEMBL4460155)
Show SMILES COc1cccc(Nc2ncc3CCCCc3n2)c1
Show InChI InChI=1S/C15H17N3O/c1-19-13-7-4-6-12(9-13)17-15-16-10-11-5-2-3-8-14(11)18-15/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,16,17,18)
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1.01E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525158
PNG
(CHEMBL4515564)
Show SMILES CCc1cccc(Nc2ncc3CCCCc3n2)c1
Show InChI InChI=1S/C16H19N3/c1-2-12-6-5-8-14(10-12)18-16-17-11-13-7-3-4-9-15(13)19-16/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,17,18,19)
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1.23E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525159
PNG
(CHEMBL4471293)
Show SMILES [O-][N+](=O)c1cccc(Nc2ncc3CCCCc3n2)c1
Show InChI InChI=1S/C14H14N4O2/c19-18(20)12-6-3-5-11(8-12)16-14-15-9-10-4-1-2-7-13(10)17-14/h3,5-6,8-9H,1-2,4,7H2,(H,15,16,17)
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1.26E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50463479
PNG
(CHEMBL4249925)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25)
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1.30E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35 (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525161
PNG
(CHEMBL4557901)
Show SMILES Cc1ccc(Nc2ncc3CCCCc3n2)cc1
Show InChI InChI=1S/C15H17N3/c1-11-6-8-13(9-7-11)17-15-16-10-12-4-2-3-5-14(12)18-15/h6-10H,2-5H2,1H3,(H,16,17,18)
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1.44E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525154
PNG
(CHEMBL4581547)
Show SMILES COc1ccc(Nc2ncc3CCCc3n2)cc1
Show InChI InChI=1S/C14H15N3O/c1-18-12-7-5-11(6-8-12)16-14-15-9-10-3-2-4-13(10)17-14/h5-9H,2-4H2,1H3,(H,15,16,17)
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1.72E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50463484
PNG
(CHEMBL4248525)
Show SMILES CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
Show InChI InChI=1S/C26H30N6O2S/c1-31-10-12-32(13-11-31)9-4-14-34-20-6-2-5-19(15-20)16-24(33)30-26-29-23(18-35-26)22-17-28-25-21(22)7-3-8-27-25/h2-3,5-8,15,17-18H,4,9-14,16H2,1H3,(H,27,28)(H,29,30,33)
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35 (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50463483
PNG
(CHEMBL4245242)
Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32)
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35 (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525163
PNG
(CHEMBL4566271)
Show SMILES O=C(Nc1cccc(CN2CCCC2)c1)c1n[nH]c2ccccc12
Show InChI InChI=1S/C19H20N4O/c24-19(18-16-8-1-2-9-17(16)21-22-18)20-15-7-5-6-14(12-15)13-23-10-3-4-11-23/h1-2,5-9,12H,3-4,10-11,13H2,(H,20,24)(H,21,22)
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2.03E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395887
PNG
(CHEMBL2163770)
Show SMILES Oc1cc2c(oc3ncc(OCc4ccccc4)c(-c4ccccc4)c23)c2ccccc12
Show InChI InChI=1S/C28H19NO3/c30-23-15-22-26-25(19-11-5-2-6-12-19)24(31-17-18-9-3-1-4-10-18)16-29-28(26)32-27(22)21-14-8-7-13-20(21)23/h1-16,30H,17H2
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2.10E+3n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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>9.28E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK5


Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395888
PNG
(CHEMBL2163769)
Show SMILES Cc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2cc1O
Show InChI InChI=1S/C25H19NO3/c1-16-12-21-19(13-20(16)27)24-23(18-10-6-3-7-11-18)22(14-26-25(24)29-21)28-15-17-8-4-2-5-9-17/h2-14,27H,15H2,1H3
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2.53E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395890
PNG
(CHEMBL2163774)
Show SMILES COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
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2.61E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7453
PNG
(1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...)
Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3
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2.17E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395891
PNG
(CHEMBL2163773)
Show SMILES COc1ccc2oc3ncc(OC)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C19H15NO3/c1-21-13-8-9-15-14(10-13)18-17(12-6-4-3-5-7-12)16(22-2)11-20-19(18)23-15/h3-11H,1-2H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395893
PNG
(CHEMBL1165662)
Show SMILES Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C24H17NO3/c26-18-11-12-20-19(13-18)23-22(17-9-5-2-6-10-17)21(14-25-24(23)28-20)27-15-16-7-3-1-4-8-16/h1-14,26H,15H2
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50331612
PNG
(CHEMBL1290072 | N-(4-methoxybenzyl)benzofuro[2,3-b...)
Show SMILES COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Show InChI InChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21)
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human CDK5/p25


Bioorg Med Chem Lett 20: 6915-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395889
PNG
(CHEMBL2163768)
Show SMILES COc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C18H13NO3/c1-21-12-7-8-15-13(9-12)17-16(11-5-3-2-4-6-11)14(20)10-19-18(17)22-15/h2-10,20H,1H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM6878
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
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n/an/a 0.200n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany ASCR

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate as substrate in presence...


J Med Chem 61: 9105-9120 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00049
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Cdk5/P25


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin)


J Med Chem 63: 13228-13257 (2020)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50154931
PNG
(CHEMBL3775792)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(C)(C)O)nc12
Show InChI InChI=1S/C24H29N7O/c1-15(2)19-20-21(31-30-19)22(29-23(28-20)27-14-24(3,4)32)26-13-16-8-10-17(11-9-16)18-7-5-6-12-25-18/h5-12,15,32H,13-14H2,1-4H3,(H,30,31)(H2,26,27,28,29)
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n/an/a 1n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated Histone H1 peptide as substrate incuba...


Eur J Med Chem 215: (2021)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated peptide as substrate after 1 hr...


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM525738
PNG
(US11174252, Compound 33)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)C2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C26H30F2N6O/c1-16(2)34-10-11-35-25-20(27)12-18(13-23(25)34)24-21(28)15-30-26(32-24)31-19-4-5-22(29-14-19)17-6-8-33(3)9-7-17/h4-5,12-17H,6-11H2,1-3H3,(H,30,31,32)
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US Patent
n/an/a 1n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
CDK5 (p25): IC50 values of compounds against CDK5 (p25) were determined by Z′-LYTE™. These screening assays were performed at Invitrogen L...


US Patent US11174252 (2021)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50468264
PNG
(CHEMBL4292930)
Show SMILES Cc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO
Show InChI InChI=1S/C20H26N6O2/c1-15-12-22-26-18(21-13-16-5-4-8-24(28)14-16)11-19(23-20(15)26)25-9-3-2-6-17(25)7-10-27/h4-5,8,11-12,14,17,21,27H,2-3,6-7,9-10,13H2,1H3/t17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK5 (unknown origin) expressed in Sf9 cells using histone H1 derived biotinylated peptide and 33P-ATP incubated for 1 hr b...


Eur J Med Chem 142: 424-458 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.071
BindingDB Entry DOI: 10.7270/Q2S1856W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated Histone H1 as substrate after 1...


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK5/p25 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated histone H1 as substrate aft...


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



University of South Australia Cancer Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubat...


J Med Chem 62: 4233-4251 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01469
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin)


Nat Rev Drug Discov 16: 424-440 (2017)


Article DOI: 10.1038/nrd.2016.266
BindingDB Entry DOI: 10.7270/Q2125VNC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Shihezi University

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate after 1 hr by liquid scintillati...


Bioorg Med Chem 26: 3491-3501 (2018)


Article DOI: 10.1016/j.bmc.2018.05.024
BindingDB Entry DOI: 10.7270/Q26M399K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25 (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured afte...


J Med Chem 56: 3768-82 (2013)


Article DOI: 10.1021/jm301234k
BindingDB Entry DOI: 10.7270/Q25T3MV7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(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
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/a 1.30n/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Inhibition of human CDK5/p35 using histone H1 as substrate by [gamma-33P]-ATP assay


Bioorg Med Chem 26: 1740-1750 (2018)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50414916
PNG
(CHEMBL567005)
Show SMILES CCCc1[nH]c(=O)c(cc1C(=O)OCC)-c1csc(CS(=O)(=O)c2ccccc2)n1
Show InChI InChI=1S/C21H22N2O5S2/c1-3-8-17-16(21(25)28-4-2)11-15(20(24)23-17)18-12-29-19(22-18)13-30(26,27)14-9-6-5-7-10-14/h5-7,9-12H,3-4,8,13H2,1-2H3,(H,23,24)
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n/an/a 1.40n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human CDK5/p25 assessed as histone h1 phosphorylation in presence of ATP


Bioorg Med Chem Lett 19: 6591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.027
BindingDB Entry DOI: 10.7270/Q2K937KN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50433369
PNG
(CHEMBL2377825)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C16H13N5O5S2/c17-15-14(13(22)11-3-1-2-4-12(11)21(23)24)27-16(20-15)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26)
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n/an/a 1.5n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25 (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured afte...


J Med Chem 56: 3768-82 (2013)


Article DOI: 10.1021/jm301234k
BindingDB Entry DOI: 10.7270/Q25T3MV7
More data for this
Ligand-Target Pair
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