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Compile Data Set for Download or QSAR

Found 1489 hits Enz. Inhib. hit(s) with Target = 'Cyclin-Dependent Kinase 5 (CDK5)' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 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


Citation and Details
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


Citation and Details
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)

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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
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/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...


Citation and Details
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...


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


(Homo sapiens (human))
BDBM50169892
PNG
(3-{4-[4-(3-Chloro-phenylamino)-[1,3,5]triazin-2-yl...)
Show SMILES OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H17ClN6O/c18-13-3-1-4-14(10-13)23-17-22-11-21-16(24-17)12-5-7-20-15(9-12)19-6-2-8-25/h1,3-5,7,9-11,25H,2,6,8H2,(H,19,20)(H,21,22,23,24)
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n/an/a 3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35


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


(Homo sapiens (human))
BDBM50371400
PNG
(MERIOLIN 5)
Show SMILES CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Show InChI InChI=1S/C14H15N5O/c1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10/h3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19)
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n/an/a 3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-CDK5/p25 expressed in Escherichia coli


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


(Homo sapiens (human))
BDBM50371399
PNG
(MERIOLIN 6)
Show SMILES CC(C)Oc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Show InChI InChI=1S/C14H15N5O/c1-8(2)20-11-4-6-16-13-12(11)9(7-18-13)10-3-5-17-14(15)19-10/h3-8H,1-2H3,(H,16,18)(H2,15,17,19)
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n/an/a 3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-CDK5/p25 expressed in Escherichia coli


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


(Homo sapiens (human))
BDBM50414917
PNG
(CHEMBL567004)
Show SMILES CCOC(=O)c1cc(-c2csc(CS(=O)(=O)c3ccccc3)n2)c(=O)[nH]c1C
Show InChI InChI=1S/C19H18N2O5S2/c1-3-26-19(23)14-9-15(18(22)20-12(14)2)16-10-27-17(21-16)11-28(24,25)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H,20,22)
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n/an/a 3.30n/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


Citation and Details
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...


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


(Homo sapiens (human))
BDBM50414912
PNG
(CHEMBL566532)
Show SMILES CCOC(=O)c1cc(-c2csc(n2)-c2ccncc2)c(=O)[nH]c1CC
Show InChI InChI=1S/C18H17N3O3S/c1-3-14-13(18(23)24-4-2)9-12(16(22)20-14)15-10-25-17(21-15)11-5-7-19-8-6-11/h5-10H,3-4H2,1-2H3,(H,20,22)
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n/an/a 4.10n/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


Citation and Details
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...


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


(Homo sapiens (human))
BDBM50378657
PNG
(CHEMBL1230607)
Show SMILES CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
Show InChI InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)
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n/an/a 5n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


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


(Homo sapiens (human))
BDBM50371401
PNG
(MERIOLIN 4)
Show SMILES CCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Show InChI InChI=1S/C13H13N5O/c1-2-19-10-4-6-15-12-11(10)8(7-17-12)9-3-5-16-13(14)18-9/h3-7H,2H2,1H3,(H,15,17)(H2,14,16,18)
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n/an/a 5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-CDK5/p25 expressed in Escherichia coli


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


(Homo sapiens (human))
BDBM50414918
PNG
(CHEMBL567832)
Show SMILES CCOC(=O)c1cc(-c2csc(CS(=O)(=O)c3ccccc3)n2)c(=O)[nH]c1COCc1ccccc1
Show InChI InChI=1S/C26H24N2O6S2/c1-2-34-26(30)21-13-20(25(29)28-22(21)15-33-14-18-9-5-3-6-10-18)23-16-35-24(27-23)17-36(31,32)19-11-7-4-8-12-19/h3-13,16H,2,14-15,17H2,1H3,(H,28,29)
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n/an/a 5.30n/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


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


(Homo sapiens (human))
BDBM50304109
PNG
((Z)-5'-Nitro-1H,1'H-[2,3']biindolylidene-3,2'-dion...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10N4O4/c21-16-13(10-7-8(20(23)24)5-6-12(10)18-16)15-14(19-22)9-3-1-2-4-11(9)17-15/h1-7,13,17H,(H,18,21)
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n/an/a 6n/an/an/an/an/an/a



Universit£ de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamma-33P]ATP incorporation after 10 mins by scintillation counting


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


(Homo sapiens (human))
BDBM50307507
PNG
(CHEMBL597754 | N-1-Dimethyl-8-{[1-(methylsulfonyl)...)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
Show InChI InChI=1S/C24H34N8O4S/c1-25-22(33)20-18-5-4-16-14-26-24(28-19(16)21(18)30(2)29-20)27-17-8-10-31(11-9-17)23(34)15-6-12-32(13-7-15)37(3,35)36/h14-15,17H,4-13H2,1-3H3,(H,25,33)(H,26,27,28)
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n/an/a 6n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25


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


(Homo sapiens (human))
BDBM50415046
PNG
(CHEMBL583658)
Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1
Show InChI InChI=1S/C26H25N5O2/c1-17-6-4-11-23(28-17)26(33)29-20-13-21(14-20)31-15-24(27-16-31)30-25(32)12-19-9-5-8-18-7-2-3-10-22(18)19/h2-11,15-16,20-21H,12-14H2,1H3,(H,29,33)(H,30,32)/t20-,21+
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


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


(Homo sapiens (human))
BDBM50415045
PNG
(CHEMBL571782)
Show SMILES Clc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1
Show InChI InChI=1S/C25H22ClN5O2/c26-22-10-4-9-21(29-22)25(33)28-18-12-19(13-18)31-14-23(27-15-31)30-24(32)11-17-7-3-6-16-5-1-2-8-20(16)17/h1-10,14-15,18-19H,11-13H2,(H,28,33)(H,30,32)/t18-,19+
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Citation and Details
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...


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


(Homo sapiens (human))
BDBM50415039
PNG
(CHEMBL571780)
Show SMILES CC(=O)N[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1
Show InChI InChI=1S/C21H22N4O2/c1-14(26)23-17-10-18(11-17)25-12-20(22-13-25)24-21(27)9-16-7-4-6-15-5-2-3-8-19(15)16/h2-8,12-13,17-18H,9-11H2,1H3,(H,23,26)(H,24,27)/t17-,18+
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Citation and Details
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...


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


(Homo sapiens (human))
BDBM50415037
PNG
(CHEMBL576502)
Show SMILES COc1ccc(CC(=O)Nc2cn(cn2)[C@@H]2C[C@@H](C2)NC(C)=O)cc1
Show InChI InChI=1S/C18H22N4O3/c1-12(23)20-14-8-15(9-14)22-10-17(19-11-22)21-18(24)7-13-3-5-16(25-2)6-4-13/h3-6,10-11,14-15H,7-9H2,1-2H3,(H,20,23)(H,21,24)/t14-,15+
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n/an/a 9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


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


(Homo sapiens (human))
BDBM50307535
PNG
(8-[(1-Acetylpiperidin-4-yl)amino]-1-methyl-4,5-dih...)
Show SMILES CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H23N7O2/c1-10(26)25-7-5-12(6-8-25)21-18-20-9-11-3-4-13-15(17(19)27)23-24(2)16(13)14(11)22-18/h9,12H,3-8H2,1-2H3,(H2,19,27)(H,20,21,22)
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n/an/a 9n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25


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


(Homo sapiens (human))
BDBM50307506
PNG
(1-Methyl-8-{[1-(phenylcarbonyl)piperidin-4-yl]amin...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
Show InChI InChI=1S/C23H25N7O2/c1-29-20-17(19(28-29)21(24)31)8-7-15-13-25-23(27-18(15)20)26-16-9-11-30(12-10-16)22(32)14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H2,24,31)(H,25,26,27)
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n/an/a 10n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25


Citation and Details
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/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...


Citation and Details
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...


Citation and Details
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...


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


(Homo sapiens (human))
BDBM50340908
PNG
((4-amino-2-(pyridin-3-ylamino)thiazol-5-yl)(3-meth...)
Show SMILES COc1cccc(c1)C(=O)c1sc(Nc2cccnc2)nc1N
Show InChI InChI=1S/C16H14N4O2S/c1-22-12-6-2-4-10(8-12)13(21)14-15(17)20-16(23-14)19-11-5-3-7-18-9-11/h2-9H,17H2,1H3,(H,19,20)
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n/an/a 11n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


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


(Homo sapiens (human))
BDBM50415044
PNG
(CHEMBL569587)
Show SMILES O=C(Cc1cccc2ccccc12)Nc1cn(cn1)[C@@H]1C[C@@H](C1)NC(=O)c1ccccn1
Show InChI InChI=1S/C25H23N5O2/c31-24(12-18-8-5-7-17-6-1-2-9-21(17)18)29-23-15-30(16-27-23)20-13-19(14-20)28-25(32)22-10-3-4-11-26-22/h1-11,15-16,19-20H,12-14H2,(H,28,32)(H,29,31)/t19-,20+
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


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


(Homo sapiens (human))
BDBM50414898
PNG
(CHEMBL584268)
Show SMILES CCOC(=O)c1cc(-c2csc(n2)-c2ccnc(NCC(C)C)c2)c(=O)[nH]c1C
Show InChI InChI=1S/C21H24N4O3S/c1-5-28-21(27)15-9-16(19(26)24-13(15)4)17-11-29-20(25-17)14-6-7-22-18(8-14)23-10-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,22,23)(H,24,26)
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n/an/a 14n/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


Citation and Details
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...


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


(Homo sapiens (human))
BDBM50424266
PNG
(CHEMBL2314466)
Show SMILES CC[C@H](CO)Nc1nc(Nc2ccncc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C17H23N7O/c1-4-12(9-25)21-17-22-15(20-13-5-7-18-8-6-13)14-16(23-17)24(10-19-14)11(2)3/h5-8,10-12,25H,4,9H2,1-3H3,(H2,18,20,21,22,23)/t12-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK5/p25 after 30 mins by scintillation counting


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


(Homo sapiens (human))
BDBM24654
PNG
(4-N-(2,6-dichlorobenzene)-3-N-(piperidin-4-yl)-1H-...)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=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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n/an/a 18n/an/an/an/a7.522



Astex



Assay Description
CDK5/p35 activity was determined in DELFIA format using a biotinylated Histone H1 peptide. The phosphorylated peptide was quantified using rabbit pho...


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


(Homo sapiens (human))
BDBM50304111
PNG
(CHEMBL593698 | N-((Z)-3,2'-Dioxo-1,3,1',2'-tetrahy...)
Show SMILES CC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2c1
Show InChI InChI=1S/C18H13N3O3/c1-9(22)19-10-6-7-14-12(8-10)15(18(24)21-14)16-17(23)11-4-2-3-5-13(11)20-16/h2-8,20H,1H3,(H,19,22)(H,21,24)/b16-15-
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n/an/a 18n/an/an/an/an/an/a



Universit£ de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamma-33P]ATP incorporation after 10 mins by scintillation counting


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


(Homo sapiens (human))
BDBM50340911
PNG
((4-amino-2-(pyridin-4-ylamino)thiazol-5-yl)(3-fluo...)
Show SMILES Nc1nc(Nc2ccncc2)sc1C(=O)c1cccc(F)c1
Show InChI InChI=1S/C15H11FN4OS/c16-10-3-1-2-9(8-10)12(21)13-14(17)20-15(22-13)19-11-4-6-18-7-5-11/h1-8H,17H2,(H,18,19,20)
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n/an/a 18n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter


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


(Homo sapiens (human))
BDBM50437236
PNG
(CHEMBL2402946)
Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C28H34N8O/c29-19-10-12-20(13-11-19)33-28-34-26(25-27(35-28)36(17-32-25)21-5-1-2-6-21)31-16-18-9-14-23(30-15-18)22-7-3-4-8-24(22)37/h3-4,7-9,14-15,17,19-21,37H,1-2,5-6,10-13,16,29H2,(H2,31,33,34,35)
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n/an/a 19n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35 (unknown origin) using histone H1 as substrate


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


(Homo sapiens (human))
BDBM50414914
PNG
(CHEMBL577495)
Show SMILES CCOC(=O)c1cc(-c2csc(n2)-c2ccnc(N)c2)c(=O)[nH]c1C
Show InChI InChI=1S/C17H16N4O3S/c1-3-24-17(23)11-7-12(15(22)20-9(11)2)13-8-25-16(21-13)10-4-5-19-14(18)6-10/h4-8H,3H2,1-2H3,(H2,18,19)(H,20,22)
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n/an/a 20n/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


Citation and Details
More data for this
Ligand-Target Pair
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