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Compile Data Set for Download or QSAR

Found 301 hits of Enz. Inhib. data with enzyme = 'Cyclin-Dependent Kinase 5 (CDK5)' and Substrate = 'Histone H1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20870
PNG
(3-{2-[(thiophene-2-sulfonyl)methyl]-1,3-thiazol-4-...)
Show SMILES O=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2cccs2)n1
Show InChI InChI=1S/C17H12N2O3S3/c20-17-12(8-11-4-1-2-5-13(11)19-17)14-9-24-15(18-14)10-25(21,22)16-6-3-7-23-16/h1-9H,10H2,(H,19,20)
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n/an/a 2.10n/an/an/an/an/a25



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20851
PNG
(7-(piperidin-1-ylcarbonyl)-3-[2-(pyridin-4-yl)-1,3...)
Show SMILES O=C(N1CCCCC1)c1ccc2cc(-c3csc(n3)-c3ccncc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H20N4O2S/c28-21-18(20-14-30-22(26-20)15-6-8-24-9-7-15)12-16-4-5-17(13-19(16)25-21)23(29)27-10-2-1-3-11-27/h4-9,12-14H,1-3,10-11H2,(H,25,28)
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n/an/a 2.70n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20856
PNG
(4-amino-6-chloro-3-[2-(pyridin-4-yl)-1,3-thiazol-4...)
Show SMILES Nc1c(-c2csc(n2)-c2ccncc2)c(=O)[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C17H11ClN4OS/c18-10-1-2-12-11(7-10)15(19)14(16(23)21-12)13-8-24-17(22-13)9-3-5-20-6-4-9/h1-8H,(H3,19,21,23)
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n/an/a 3.80n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20850
PNG
(7-[(4-methylpiperazin-1-yl)carbonyl]-3-[2-(pyridin...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2cc(-c3csc(n3)-c3ccncc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H21N5O2S/c1-27-8-10-28(11-9-27)23(30)17-3-2-16-12-18(21(29)25-19(16)13-17)20-14-31-22(26-20)15-4-6-24-7-5-15/h2-7,12-14H,8-11H2,1H3,(H,25,29)
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n/an/a 4.40n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20848
PNG
(3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-7-(trifluoro...)
Show SMILES FC(F)(F)c1ccc2cc(-c3csc(n3)-c3ccncc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C18H10F3N3OS/c19-18(20,21)12-2-1-11-7-13(16(25)23-14(11)8-12)15-9-26-17(24-15)10-3-5-22-6-4-10/h1-9H,(H,23,25)
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n/an/a 6.30n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20849
PNG
(N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-[2-(pyr...)
Show SMILES CCN(CCN(C)C)C(=O)c1ccc2cc(-c3csc(n3)-c3ccncc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H25N5O2S/c1-4-29(12-11-28(2)3)24(31)18-6-5-17-13-19(22(30)26-20(17)14-18)21-15-32-23(27-21)16-7-9-25-10-8-16/h5-10,13-15H,4,11-12H2,1-3H3,(H,26,30)
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n/an/a 8.30n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20869
PNG
(3-{2-[(pyridine-2-sulfonyl)methyl]-1,3-thiazol-4-y...)
Show SMILES O=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2ccccn2)n1
Show InChI InChI=1S/C18H13N3O3S2/c22-18-13(9-12-5-1-2-6-14(12)21-18)15-10-25-16(20-15)11-26(23,24)17-7-3-4-8-19-17/h1-10H,11H2,(H,21,22)
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n/an/a 10n/an/an/an/an/a25



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20847
PNG
(6-chloro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2...)
Show SMILES Clc1ccc2[nH]c(=O)c(cc2c1)-c1csc(n1)-c1ccncc1
Show InChI InChI=1S/C17H10ClN3OS/c18-12-1-2-14-11(7-12)8-13(16(22)20-14)15-9-23-17(21-15)10-3-5-19-6-4-10/h1-9H,(H,20,22)
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n/an/a 11n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20855
PNG
(4-amino-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-...)
Show SMILES Nc1c(-c2csc(n2)-c2ccncc2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C17H12N4OS/c18-15-11-3-1-2-4-12(11)20-16(22)14(15)13-9-23-17(21-13)10-5-7-19-8-6-10/h1-9H,(H3,18,20,22)
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n/an/a 11n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20832
PNG
(7-fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2...)
Show SMILES Fc1ccc2CN(c3csc(n3)-c3ccncc3)C(=O)Nc2c1
Show InChI InChI=1S/C16H11FN4OS/c17-12-2-1-11-8-21(16(22)19-13(11)7-12)14-9-23-15(20-14)10-3-5-18-6-4-10/h1-7,9H,8H2,(H,19,22)
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n/an/a 16n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem 15: 6574-95 (2007)


Article DOI: 10.1016/j.bmc.2007.07.005
BindingDB Entry DOI: 10.7270/Q2Z60MB9
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7492
PNG
(3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...)
Show SMILES Ic1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10IN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,13,18H,(H,19,21)
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n/an/a 20n/an/an/an/a7.230



Technische Universitat Braunschweig



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 14: 413-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.062
BindingDB Entry DOI: 10.7270/Q2BR8QDD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7264
PNG
(2,3-dimethoxy-9-nitropaullone | 4,5-dimethoxy-14-n...)
Show SMILES COc1cc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2cc1OC
Show InChI InChI=1S/C18H15N3O5/c1-25-15-6-12-14(8-16(15)26-2)19-17(22)7-11-10-5-9(21(23)24)3-4-13(10)20-18(11)12/h3-6,8,20H,7H2,1-2H3,(H,19,22)
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n/an/a 21n/an/an/an/an/a30



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


Eur J Biochem 267: 5983-94 (2000)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2CR5RJS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20866
PNG
(3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,2-dihyd...)
Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C18H12N2O2S/c21-13-7-5-11(6-8-13)18-20-16(10-23-18)14-9-12-3-1-2-4-15(12)19-17(14)22/h1-10,21H,(H,19,22)
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n/an/a 24n/an/an/an/an/a25



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7491
PNG
((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)
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n/an/a 28n/an/an/an/a7.230



Technische Universitat Braunschweig



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem Lett 14: 413-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.062
BindingDB Entry DOI: 10.7270/Q2BR8QDD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20868
PNG
(3-{2-[(benzenesulfonyl)methyl]-1,3-thiazol-4-yl}-1...)
Show SMILES O=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2ccccc2)n1
Show InChI InChI=1S/C19H14N2O3S2/c22-19-15(10-13-6-4-5-9-16(13)21-19)17-11-25-18(20-17)12-26(23,24)14-7-2-1-3-8-14/h1-11H,12H2,(H,21,22)
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n/an/a 29n/an/an/an/an/a25



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20843
PNG
(methyl 2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]...)
Show SMILES COC(=O)c1cccc2[nH]c(=O)c(cc12)-c1csc(n1)-c1ccncc1
Show InChI InChI=1S/C19H13N3O3S/c1-25-19(24)12-3-2-4-15-13(12)9-14(17(23)21-15)16-10-26-18(22-16)11-5-7-20-8-6-11/h2-10H,1H3,(H,21,23)
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n/an/a 33n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7269
PNG
(3-(6-oxo-9-trifluoromethyl-5,6,7,12-tetrahydro-ind...)
Show SMILES FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(CCC#N)cc-34)c2c1
Show InChI InChI=1S/C20H14F3N3O/c21-20(22,23)12-4-6-16-13(9-12)14-10-18(27)25-17-5-3-11(2-1-7-24)8-15(17)19(14)26-16/h3-6,8-9,26H,1-2,10H2,(H,25,27)
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n/an/a 33n/an/an/an/an/a30



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


Eur J Biochem 267: 5983-94 (2000)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2CR5RJS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20833
PNG
(7-bromo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,...)
Show SMILES Brc1ccc2CN(c3csc(n3)-c3ccncc3)C(=O)Nc2c1
Show InChI InChI=1S/C16H11BrN4OS/c17-12-2-1-11-8-21(16(22)19-13(11)7-12)14-9-23-15(20-14)10-3-5-18-6-4-10/h1-7,9H,8H2,(H,19,22)
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n/an/a 38n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem 15: 6574-95 (2007)


Article DOI: 10.1016/j.bmc.2007.07.005
BindingDB Entry DOI: 10.7270/Q2Z60MB9
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7262
PNG
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
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n/an/a 40n/an/an/an/an/a30



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


Eur J Biochem 267: 5983-94 (2000)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2CR5RJS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7263
PNG
(9-cyanopaullone | 9-oxo-8,18-diazatetracyclo[9.7.0...)
Show SMILES O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2ccccc2N1
Show InChI InChI=1S/C17H11N3O/c18-9-10-5-6-15-12(7-10)13-8-16(21)19-14-4-2-1-3-11(14)17(13)20-15/h1-7,20H,8H2,(H,19,21)
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n/an/a 44n/an/an/an/an/a30



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


Eur J Biochem 267: 5983-94 (2000)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2CR5RJS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20861
PNG
(3-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]-1,2-dihydroq...)
Show SMILES O=c1[nH]c2ccccc2cc1-c1csc(n1)-c1cccnc1
Show InChI InChI=1S/C17H11N3OS/c21-16-13(8-11-4-1-2-6-14(11)19-16)15-10-22-17(20-15)12-5-3-7-18-9-12/h1-10H,(H,19,21)
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n/an/a 50n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20842
PNG
(3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroq...)
Show SMILES O=c1[nH]c2ccccc2cc1-c1csc(n1)-c1ccncc1
Show InChI InChI=1S/C17H11N3OS/c21-16-13(9-12-3-1-2-4-14(12)19-16)15-10-22-17(20-15)11-5-7-18-8-6-11/h1-10H,(H,19,21)
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n/an/a 54n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM27218
PNG
((2R)-2-({4-[(3-chlorophenyl)amino]-8-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)n2ncc(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15-9-21-26-17(15)24-18(23-16(10-27)12(3)4)25-19(26)22-14-7-5-6-13(20)8-14/h5-9,11-12,16,27H,10H2,1-4H3,(H2,22,23,24,25)/t16-/m0/s1
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n/an/a 60n/an/an/an/a7.530



Universite de Lyon



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...


J Med Chem 52: 655-63 (2009)


Article DOI: 10.1021/jm801340z
BindingDB Entry DOI: 10.7270/Q2WQ024J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7265
PNG
(4,5-dimethoxy-9-oxo-8,18-diazatetracyclo[9.7.0.0^{...)
Show SMILES COc1cc2NC(=O)Cc3c([nH]c4ccc(cc34)C#N)-c2cc1OC
Show InChI InChI=1S/C19H15N3O3/c1-24-16-6-13-15(8-17(16)25-2)21-18(23)7-12-11-5-10(9-20)3-4-14(11)22-19(12)13/h3-6,8,22H,7H2,1-2H3,(H,21,23)
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n/an/a 60n/an/an/an/an/a30



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


Eur J Biochem 267: 5983-94 (2000)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2CR5RJS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7424
PNG
((2 Z,3 E)-5,6-Dichloroindirubin-3 -oxime | 5,6-dic...)
Show SMILES Clc1cc2NC(=O)C(c2cc1Cl)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H9Cl2N3O2/c17-9-5-8-12(6-10(9)18)20-16(22)13(8)15-14(21-23)7-3-1-2-4-11(7)19-15/h1-6,13,19H,(H,20,22)
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n/an/a 60n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20838
PNG
(7-(morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-t...)
Show SMILES O=C1Nc2cc(CN3CCOCC3)ccc2CN1c1csc(n1)-c1ccncc1
Show InChI InChI=1S/C21H21N5O2S/c27-21-23-18-11-15(12-25-7-9-28-10-8-25)1-2-17(18)13-26(21)19-14-29-20(24-19)16-3-5-22-6-4-16/h1-6,11,14H,7-10,12-13H2,(H,23,27)
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n/an/a 62n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem 15: 6574-95 (2007)


Article DOI: 10.1016/j.bmc.2007.07.005
BindingDB Entry DOI: 10.7270/Q2Z60MB9
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM27217
PNG
((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 70n/an/an/an/a7.530



Universite de Lyon



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...


J Med Chem 52: 655-63 (2009)


Article DOI: 10.1021/jm801340z
BindingDB Entry DOI: 10.7270/Q2WQ024J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7330
PNG
(2-Methoxy-9-nitro-7,12-dihydro-indolo[3,2-d][1]ben...)
Show SMILES COc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1
Show InChI InChI=1S/C17H13N3O4/c1-24-10-3-5-15-13(7-10)17-12(8-16(21)18-15)11-6-9(20(22)23)2-4-14(11)19-17/h2-7,19H,8H2,1H3,(H,18,21)
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n/an/a 70n/an/an/an/an/a30



Universitat Hamburg



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 22-36 (2004)


Article DOI: 10.1021/jm0308904
BindingDB Entry DOI: 10.7270/Q28050TR
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20830
PNG
(6-fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2...)
Show SMILES Fc1ccc2NC(=O)N(Cc2c1)c1csc(n1)-c1ccncc1
Show InChI InChI=1S/C16H11FN4OS/c17-12-1-2-13-11(7-12)8-21(16(22)19-13)14-9-23-15(20-14)10-3-5-18-6-4-10/h1-7,9H,8H2,(H,19,22)
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n/an/a 72n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem 15: 6574-95 (2007)


Article DOI: 10.1016/j.bmc.2007.07.005
BindingDB Entry DOI: 10.7270/Q2Z60MB9
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 75n/an/an/an/a7.530



Universite de Lyon



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...


J Med Chem 52: 655-63 (2009)


Article DOI: 10.1021/jm801340z
BindingDB Entry DOI: 10.7270/Q2WQ024J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20820
PNG
(3-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetr...)
Show SMILES O=C1Nc2ccccc2CN1c1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C16H12N4OS/c21-15-18-13-4-2-1-3-12(13)9-20(15)16-19-14(10-22-16)11-5-7-17-8-6-11/h1-8,10H,9H2,(H,18,21)
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n/an/a 77n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem 15: 6574-95 (2007)


Article DOI: 10.1016/j.bmc.2007.07.005
BindingDB Entry DOI: 10.7270/Q2Z60MB9
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20819
PNG
(3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetr...)
Show SMILES O=C1Nc2ccccc2CN1c1csc(n1)-c1ccncc1
Show InChI InChI=1S/C16H12N4OS/c21-16-18-13-4-2-1-3-12(13)9-20(16)14-10-22-15(19-14)11-5-7-17-8-6-11/h1-8,10H,9H2,(H,18,21)
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n/an/a 79n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem 15: 6574-95 (2007)


Article DOI: 10.1016/j.bmc.2007.07.005
BindingDB Entry DOI: 10.7270/Q2Z60MB9
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7401
PNG
((2 Z,3 E)-6-Bromoindirubin-3 -oxime | (3E)-6-bromo...)
Show SMILES Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21)
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n/an/a 83n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7340
PNG
(13-nitro-3-thia-7,17-diazatetracyclo[8.7.0.0^{2,6}...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccsc-34)c2c1
Show InChI InChI=1S/C14H9N3O3S/c18-12-6-9-8-5-7(17(19)20)1-2-10(8)16-13(9)14-11(15-12)3-4-21-14/h1-5,16H,6H2,(H,15,18)
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n/an/a 100n/an/an/an/an/a30



Universitat Hamburg



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 22-36 (2004)


Article DOI: 10.1021/jm0308904
BindingDB Entry DOI: 10.7270/Q28050TR
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7425
PNG
((2 Z,3 E)-5,6-Dichloroindirubin-3 -acetoxime | 6,5...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C18H11Cl2N3O3/c1-8(24)26-23-16-9-4-2-3-5-13(9)21-17(16)15-10-6-11(19)12(20)7-14(10)22-18(15)25/h2-7,21H,1H3,(H,22,25)
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n/an/a 100n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7393
PNG
(3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...)
Show SMILES O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,13,17H,(H,18,20)
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n/an/a 100n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7407
PNG
((2 Z,3 E)-6-Chloroindirubin-3 -oxime | 6-chloro-3-...)
Show SMILES Clc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10ClN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21)
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n/an/a 100n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20846
PNG
(6-fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2...)
Show SMILES Fc1ccc2[nH]c(=O)c(cc2c1)-c1csc(n1)-c1ccncc1
Show InChI InChI=1S/C17H10FN3OS/c18-12-1-2-14-11(7-12)8-13(16(22)20-14)15-9-23-17(21-15)10-3-5-19-6-4-10/h1-9H,(H,20,22)
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PubMed
n/an/a 110n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20834
PNG
(7-phenyl-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2...)
Show SMILES O=C1Nc2cc(ccc2CN1c1csc(n1)-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4OS/c27-22-24-19-12-17(15-4-2-1-3-5-15)6-7-18(19)13-26(22)20-14-28-21(25-20)16-8-10-23-11-9-16/h1-12,14H,13H2,(H,24,27)
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n/an/a 113n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem 15: 6574-95 (2007)


Article DOI: 10.1016/j.bmc.2007.07.005
BindingDB Entry DOI: 10.7270/Q2Z60MB9
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7108
PNG
((N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-naphthyl)a...)
Show SMILES O=C(Cc1ccc2ccccc2c1)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22)
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n/an/a 114n/an/an/an/an/an/a



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20874
PNG
(3-{2-[(benzenesulfinyl)methyl]-1,3-thiazol-4-yl}-1...)
Show SMILES O=S(Cc1nc(cs1)-c1cc2ccccc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C19H14N2O2S2/c22-19-15(10-13-6-4-5-9-16(13)21-19)17-11-24-18(20-17)12-25(23)14-7-2-1-3-8-14/h1-11H,12H2,(H,21,22)
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n/an/a 120n/an/an/an/an/a25



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM20858
PNG
(4-amino-6-(4-methylpiperazin-1-yl)-3-[2-(pyridin-4...)
Show SMILES CN1CCN(CC1)c1ccc2[nH]c(=O)c(-c3csc(n3)-c3ccncc3)c(N)c2c1
Show InChI InChI=1S/C22H22N6OS/c1-27-8-10-28(11-9-27)15-2-3-17-16(12-15)20(23)19(21(29)25-17)18-13-30-22(26-18)14-4-6-24-7-5-14/h2-7,12-13H,8-11H2,1H3,(H3,23,25,29)
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PubMed
n/an/a 120n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem Lett 17: 5384-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.045
BindingDB Entry DOI: 10.7270/Q2TD9VNG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7280
PNG
(2-Bromo-9-Nitropaullone | 4-bromo-14-nitro-8,18-di...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(Br)cc-34)c2c1
Show InChI InChI=1S/C16H10BrN3O3/c17-8-1-3-14-12(5-8)16-11(7-15(21)18-14)10-6-9(20(22)23)2-4-13(10)19-16/h1-6,19H,7H2,(H,18,21)
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n/an/a 120n/an/an/an/an/a30



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


Eur J Biochem 267: 5983-94 (2000)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2CR5RJS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7421
PNG
((2 Z,3 E)-6-Bromo-5-methylindirubin-3 -oxime | 6-b...)
Show SMILES Cc1cc2C(C(=O)Nc2cc1Br)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C17H12BrN3O2/c1-8-6-10-13(7-11(8)18)20-17(22)14(10)16-15(21-23)9-4-2-3-5-12(9)19-16/h2-7,14,19H,1H3,(H,20,22)
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n/an/a 130n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM27220
PNG
((2S)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)
Show SMILES CC[C@@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m0/s1
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n/an/a 130n/an/an/an/a7.530



Universite de Lyon



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...


J Med Chem 52: 655-63 (2009)


Article DOI: 10.1021/jm801340z
BindingDB Entry DOI: 10.7270/Q2WQ024J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7416
PNG
((2 Z,3 E)-6-Fluoroindirubin-3 -oxime | 6-fluoro-3-...)
Show SMILES Fc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10FN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21)
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n/an/a 150n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7427
PNG
((2 Z,3 E)-6-Bromo-5-nitroindirubin-3 -oxime | 6-Br...)
Show SMILES [O-][N+](=O)c1cc2[c-](-c3[nH]c4ccccc4c3N=[OH+])c(=O)[nH]c2cc1Br
Show InChI InChI=1S/C16H8BrN4O4/c17-9-6-11-8(5-12(9)21(24)25)13(16(22)19-11)15-14(20-23)7-3-1-2-4-10(7)18-15/h1-6,18H,(H,19,22)/q-1/p+1
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n/an/a 150n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM10842
PNG
(3-(2-aminopyrimidin-4-yl)-7-bromo-1H-indol-4-ol | ...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(Br)ccc(O)c12
Show InChI InChI=1S/C12H9BrN4O/c13-7-1-2-9(18)10-6(5-16-11(7)10)8-3-4-15-12(14)17-8/h1-5,16,18H,(H2,14,15,17)
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n/an/a 150n/an/an/an/an/a30



CNRS



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30°C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P ...


Bioorg Med Chem Lett 14: 1703-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.050
BindingDB Entry DOI: 10.7270/Q2BZ648W
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM12100
PNG
(3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...)
Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1
Show InChI InChI=1S/C23H27N5O2/c1-3-4-11-24-23(30)28-13-19-20(14-28)26-27-21(19)25-22(29)15(2)17-10-9-16-7-5-6-8-18(16)12-17/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,24,30)(H2,25,26,27,29)/t15-/m0/s1
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n/an/a 150n/an/an/an/a7.422



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


Bioorg Med Chem Lett 16: 1084-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.071
BindingDB Entry DOI: 10.7270/Q2PZ5725
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7526
PNG
(2,6,9-Trisubstituted purine deriv. 21 | CHEMBL3085...)
Show SMILES CC(C)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N1CCC[C@@H]1CO
Show InChI InChI=1S/C20H25IN6O/c1-13(2)27-12-23-17-18(22-10-14-5-3-6-15(21)9-14)24-20(25-19(17)27)26-8-4-7-16(26)11-28/h3,5-6,9,12-13,16,28H,4,7-8,10-11H2,1-2H3,(H,22,24,25)/t16-/m1/s1
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n/an/a 160n/an/an/an/an/a30



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
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