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Compile Data Set for Download or QSAR

Found 196 hits with Last Name = 'boulahjar' and Initial = 'r'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161356
PNG
(CHEMBL3786536)
Show SMILES Cc1cnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)cn1
Show InChI InChI=1S/C16H12BrN3O/c1-8-2-3-9-7-11-14(10(9)6-8)19-16(18)20-15(11)12-4-5-13(17)21-12/h2-6H,7H2,1H3,(H2,18,19,20)
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n/an/a 23n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399310
PNG
(CHEMBL2180854)
Show SMILES Brc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
Show InChI InChI=1S/C18H17BrN4O2/c19-11-7-8-20-15(10-11)22-18(25)21-13-5-3-4-12-16(13)14-6-1-2-9-23(14)17(12)24/h3-5,7-8,10,14H,1-2,6,9H2,(H2,20,21,22,25)
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161347
PNG
(CHEMBL3786624)
Show SMILES O=Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C16H13N3O/c1-9-4-5-10-8-12-14(11(10)7-9)18-16(17)19-15(12)13-3-2-6-20-13/h2-7H,8H2,1H3,(H2,17,18,19)
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n/an/a 25n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161348
PNG
(CHEMBL3785408)
Show SMILES Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C17H14N4/c1-10-2-3-12-9-14-15(11-4-6-19-7-5-11)20-17(18)21-16(14)13(12)8-10/h2-8H,9H2,1H3,(H2,18,20,21)
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n/an/a 35n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399303
PNG
(CHEMBL2180844)
Show SMILES Oc1cccnc1NC(=O)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C18H18N4O3/c23-14-8-4-9-19-16(14)21-18(25)20-12-6-3-5-11-15(12)13-7-1-2-10-22(13)17(11)24/h3-6,8-9,13,23H,1-2,7,10H2,(H2,19,20,21,25)
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399312
PNG
(CHEMBL2180852)
Show SMILES Brc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C18H17BrN4O2/c19-14-8-4-9-15(21-14)22-18(25)20-12-6-3-5-11-16(12)13-7-1-2-10-23(13)17(11)24/h3-6,8-9,13H,1-2,7,10H2,(H2,20,21,22,25)
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161338
PNG
(CHEMBL3787480)
Show SMILES Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
Show InChI InChI=1S/C17H15N3O2/c1-9-2-3-10-7-13-15(12(10)6-9)19-17(18)20-16(13)14-5-4-11(8-21)22-14/h2-6,21H,7-8H2,1H3,(H2,18,19,20)
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161339
PNG
(CHEMBL3787512)
Show SMILES OCc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
Show InChI InChI=1S/C15H9BrClN3O/c16-12-4-3-11(21-12)14-10-5-7-1-2-8(17)6-9(7)13(10)19-15(18)20-14/h1-4,6H,5H2,(H2,18,19,20)
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n/an/a 41n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161398
PNG
(CHEMBL3787292)
Show SMILES FCc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
Show InChI InChI=1/C19H19FN4O2/c20-11-12-7-8-21-16(10-12)23-19(26)22-14-5-3-4-13-17(14)15-6-1-2-9-24(15)18(13)25/h3-5,7-8,10,15H,1-2,6,9,11H2,(H2,21,22,23,26)
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n/an/a 43n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161345
PNG
(CHEMBL3785575)
Show SMILES Cc1ccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc1
Show InChI InChI=1S/C16H12BrN3O2/c1-21-9-3-2-8-6-11-14(10(8)7-9)19-16(18)20-15(11)12-4-5-13(17)22-12/h2-5,7H,6H2,1H3,(H2,18,19,20)
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n/an/a 44n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161344
PNG
(CHEMBL3786276)
Show SMILES O=C(Nc1cc(CN2CCOCC2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C18H15N3/c19-18-20-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)21-18/h1-9H,10-11H2,(H2,19,20,21)
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n/an/a 67n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399315
PNG
(CHEMBL2180849)
Show SMILES O=C(Nc1cc2ccccc2cn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C22H20N4O2/c27-21-16-8-5-9-17(20(16)18-10-3-4-11-26(18)21)24-22(28)25-19-12-14-6-1-2-7-15(14)13-23-19/h1-2,5-9,12-13,18H,3-4,10-11H2,(H2,23,24,25,28)
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399326
PNG
(CHEMBL2180863)
Show SMILES O=C(Nc1cnccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C17H17N5O2/c23-16-11-4-3-5-12(15(11)13-6-1-2-9-22(13)16)20-17(24)21-14-10-18-7-8-19-14/h3-5,7-8,10,13H,1-2,6,9H2,(H2,19,20,21,24)
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n/an/a 70n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399301
PNG
(CHEMBL2180862)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C18H18N4O2/c23-17-12-6-5-7-13(16(12)14-8-2-4-11-22(14)17)20-18(24)21-15-9-1-3-10-19-15/h1,3,5-7,9-10,14H,2,4,8,11H2,(H2,19,20,21,24)
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n/an/a 70n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50399301
PNG
(CHEMBL2180862)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C18H18N4O2/c23-17-12-6-5-7-13(16(12)14-8-2-4-11-22(14)17)20-18(24)21-15-9-1-3-10-19-15/h1,3,5-7,9-10,14H,2,4,8,11H2,(H2,19,20,21,24)
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n/an/a 75n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of CDK1


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399301
PNG
(CHEMBL2180862)
Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C18H18N4O2/c23-17-12-6-5-7-13(16(12)14-8-2-4-11-22(14)17)20-18(24)21-15-9-1-3-10-19-15/h1,3,5-7,9-10,14H,2,4,8,11H2,(H2,19,20,21,24)
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399326
PNG
(CHEMBL2180863)
Show SMILES O=C(Nc1cnccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C17H17N5O2/c23-16-11-4-3-5-12(15(11)13-6-1-2-9-22(13)16)20-17(24)21-14-10-18-7-8-19-14/h3-5,7-8,10,13H,1-2,6,9H2,(H2,19,20,21,24)
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n/an/a 80n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399309
PNG
(CHEMBL2180855)
Show SMILES Fc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C18H17FN4O2/c19-14-8-4-9-15(21-14)22-18(25)20-12-6-3-5-11-16(12)13-7-1-2-10-23(13)17(11)24/h3-6,8-9,13H,1-2,7,10H2,(H2,20,21,22,25)
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161335
PNG
(CHEMBL3785571)
Show SMILES Cc1cccnc1NC(=O)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1/C19H20N4O2/c1-12-6-5-10-20-17(12)22-19(25)21-14-8-4-7-13-16(14)15-9-2-3-11-23(15)18(13)24/h4-8,10,15H,2-3,9,11H2,1H3,(H2,20,21,22,25)
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161346
PNG
(CHEMBL3786430)
Show SMILES O=C(Nc1cc(CN2CCCCC2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C21H14BrN3O/c22-18-9-8-17(26-18)20-16-11-14-7-6-13(12-4-2-1-3-5-12)10-15(14)19(16)24-21(23)25-20/h1-10H,11H2,(H2,23,24,25)
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n/an/a 120n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399311
PNG
(CHEMBL2180853)
Show SMILES Brc1ccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc1
Show InChI InChI=1S/C18H17BrN4O2/c19-11-7-8-15(20-10-11)22-18(25)21-13-5-3-4-12-16(13)14-6-1-2-9-23(14)17(12)24/h3-5,7-8,10,14H,1-2,6,9H2,(H2,20,21,22,25)
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n/an/a 130n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161343
PNG
(CHEMBL3787557)
Show SMILES CN1CCN(Cc2ccnc(NC(=O)Nc3cccc4C(=O)N5CCCCC5c34)c2)CC1
Show InChI InChI=1S/C16H16BrN3O/c1-8-2-3-9-7-11-14(10(9)6-8)19-16(18)20-15(11)12-4-5-13(17)21-12/h2-3,6,12-13H,4-5,7H2,1H3,(H2,18,19,20)
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n/an/a 130n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161396
PNG
(CHEMBL3785795)
Show SMILES COc1cc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc2ccccc12
Show InChI InChI=1/C23H22N4O3/c1-30-19-13-20(24-16-9-3-2-7-14(16)19)26-23(29)25-17-10-6-8-15-21(17)18-11-4-5-12-27(18)22(15)28/h2-3,6-10,13,18H,4-5,11-12H2,1H3,(H2,24,25,26,29)
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n/an/a 150n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161360
PNG
(CHEMBL3785771)
Show SMILES Cc1nccnc1NC(=O)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1/C18H19N5O2/c1-11-16(20-9-8-19-11)22-18(25)21-13-6-4-5-12-15(13)14-7-2-3-10-23(14)17(12)24/h4-6,8-9,14H,2-3,7,10H2,1H3,(H2,20,21,22,25)
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n/an/a 160n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161349
PNG
(CHEMBL3786332)
Show SMILES OCc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C17H14BrN3O/c1-2-9-3-4-10-8-12-15(11(10)7-9)20-17(19)21-16(12)13-5-6-14(18)22-13/h3-7H,2,8H2,1H3,(H2,19,20,21)
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n/an/a 160n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399320
PNG
(CHEMBL2180869)
Show SMILES O=C(Nc1ccn[nH]1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C16H17N5O2/c22-15-10-4-3-5-11(14(10)12-6-1-2-9-21(12)15)18-16(23)19-13-7-8-17-20-13/h3-5,7-8,12H,1-2,6,9H2,(H3,17,18,19,20,23)
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n/an/a 170n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399308
PNG
(CHEMBL2180856)
Show SMILES Fc1cnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c(F)c1
Show InChI InChI=1S/C18H16F2N4O2/c19-10-8-12(20)16(21-9-10)23-18(26)22-13-5-3-4-11-15(13)14-6-1-2-7-24(14)17(11)25/h3-5,8-9,14H,1-2,6-7H2,(H2,21,22,23,26)
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n/an/a 260n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161350
PNG
(CHEMBL3787093)
Show SMILES COC(=O)c1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C18H15N3/c1-11-7-8-13-10-15-16(12-5-3-2-4-6-12)20-18(19)21-17(15)14(13)9-11/h2-9H,10H2,1H3,(H2,19,20,21)
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n/an/a 320n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161397
PNG
(CHEMBL3787135)
Show SMILES O=C(Nc1ccc2ccccc2n1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1/C22H20N4O2/c27-21-15-7-5-9-17(20(15)18-10-3-4-13-26(18)21)24-22(28)25-19-12-11-14-6-1-2-8-16(14)23-19/h1-2,5-9,11-12,18H,3-4,10,13H2,(H2,23,24,25,28)
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n/an/a 400n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161340
PNG
(CHEMBL3787081)
Show SMILES COCc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
Show InChI InChI=1S/C17H14N4/c1-10-5-6-11-9-13-15(12(11)8-10)20-17(18)21-16(13)14-4-2-3-7-19-14/h2-8H,9H2,1H3,(H2,18,20,21)
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n/an/a 410n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399323
PNG
(CHEMBL2180866)
Show SMILES O=C(Nc1cscn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C16H16N4O2S/c21-15-10-4-3-5-11(14(10)12-6-1-2-7-20(12)15)18-16(22)19-13-8-23-9-17-13/h3-5,8-9,12H,1-2,6-7H2,(H2,18,19,22)
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n/an/a 430n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399319
PNG
(CHEMBL2180870)
Show SMILES Cn1ccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C17H19N5O2/c1-21-10-8-14(20-21)19-17(24)18-12-6-4-5-11-15(12)13-7-2-3-9-22(13)16(11)23/h4-6,8,10,13H,2-3,7,9H2,1H3,(H2,18,19,20,24)
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399322
PNG
(CHEMBL2180867)
Show SMILES Cc1nc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)cs1
Show InChI InChI=1S/C17H18N4O2S/c1-10-18-14(9-24-10)20-17(23)19-12-6-4-5-11-15(12)13-7-2-3-8-21(13)16(11)22/h4-6,9,13H,2-3,7-8H2,1H3,(H2,19,20,23)
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n/an/a 530n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399306
PNG
(CHEMBL2180858)
Show SMILES COc1cccnc1NC(=O)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C19H20N4O3/c1-26-15-9-5-10-20-17(15)22-19(25)21-13-7-4-6-12-16(13)14-8-2-3-11-23(14)18(12)24/h4-7,9-10,14H,2-3,8,11H2,1H3,(H2,20,21,22,25)
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n/an/a 590n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399314
PNG
(CHEMBL2180850)
Show SMILES Oc1cccc2ccc(NC(=O)Nc3cccc4C(=O)N5CCCCC5c34)nc12
Show InChI InChI=1S/C22H20N4O3/c27-17-9-3-5-13-10-11-18(24-20(13)17)25-22(29)23-15-7-4-6-14-19(15)16-8-1-2-12-26(16)21(14)28/h3-7,9-11,16,27H,1-2,8,12H2,(H2,23,24,25,29)
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n/an/a 700n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161355
PNG
(CHEMBL3786745)
Show SMILES O=C(Nc1cccc(CN2CCCCC2)n1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C19H17BrN4O/c20-16-6-5-15(25-16)18-14-9-11-3-4-12(24-7-1-2-8-24)10-13(11)17(14)22-19(21)23-18/h3-6,10H,1-2,7-9H2,(H2,21,22,23)
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n/an/a 760n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161358
PNG
(CHEMBL3787033)
Show SMILES Cc1cncc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C19H18BrN3O/c1-19(2,3)11-5-4-10-8-13-16(12(10)9-11)22-18(21)23-17(13)14-6-7-15(20)24-14/h4-7,9H,8H2,1-3H3,(H2,21,22,23)
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n/an/a 810n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161352
PNG
(CHEMBL3785804)
Show SMILES COCc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C17H13N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9,16,21H,(H2,18,19,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399302
PNG
(CHEMBL2180845)
Show SMILES Oc1ccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc1
Show InChI InChI=1S/C18H18N4O3/c23-11-7-8-15(19-10-11)21-18(25)20-13-5-3-4-12-16(13)14-6-1-2-9-22(14)17(12)24/h3-5,7-8,10,14,23H,1-2,6,9H2,(H2,19,20,21,25)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399324
PNG
(CHEMBL2180865)
Show SMILES O=C(Nc1ccncn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C17H17N5O2/c23-16-11-4-3-5-12(15(11)13-6-1-2-9-22(13)16)20-17(24)21-14-7-8-18-10-19-14/h3-5,7-8,10,13H,1-2,6,9H2,(H2,18,19,20,21,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399317
PNG
(CHEMBL2180847)
Show SMILES O=C(Nc1cc(on1)-c1ccccc1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C22H20N4O3/c27-21-15-9-6-10-16(20(15)17-11-4-5-12-26(17)21)23-22(28)24-19-13-18(29-25-19)14-7-2-1-3-8-14/h1-3,6-10,13,17H,4-5,11-12H2,(H2,23,24,25,28)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399321
PNG
(CHEMBL2180868)
Show SMILES O=C(Nc1csc(n1)-c1ccncc1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C21H19N5O2S/c27-20-14-4-3-5-15(18(14)16-6-1-2-11-26(16)20)23-21(28)25-17-12-29-19(24-17)13-7-9-22-10-8-13/h3-5,7-10,12,16H,1-2,6,11H2,(H2,23,25,28)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161351
PNG
(CHEMBL3785573)
Show SMILES O=C(Nc1cccc(CN2CCOCC2)n1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C16H12N4/c17-16-19-13(10-6-2-1-3-7-10)15-14(20-16)11-8-4-5-9-12(11)18-15/h1-9,18H,(H2,17,19,20)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50399303
PNG
(CHEMBL2180844)
Show SMILES Oc1cccnc1NC(=O)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C18H18N4O3/c23-14-8-4-9-19-16(14)21-18(25)20-12-6-3-5-11-15(12)13-7-1-2-10-22(13)17(11)24/h3-6,8-9,13,23H,1-2,7,10H2,(H2,19,20,21,25)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma-33P]-ATP after 30 mins by...


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50161348
PNG
(CHEMBL3785408)
Show SMILES Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C17H14N4/c1-10-2-3-12-9-14-15(11-4-6-19-7-5-11)20-17(18)21-16(14)13(12)8-10/h2-8H,9H2,1H3,(H2,18,20,21)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of GST fused human recombinant DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by scintillation counting in...


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50399321
PNG
(CHEMBL2180868)
Show SMILES O=C(Nc1csc(n1)-c1ccncc1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C21H19N5O2S/c27-20-14-4-3-5-15(18(14)16-6-1-2-11-26(16)20)23-21(28)25-17-12-29-19(24-17)13-7-9-22-10-8-13/h3-5,7-10,12,16H,1-2,6,11H2,(H2,23,25,28)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma-33P]-ATP after 30 mins by...


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399318
PNG
(CHEMBL2180846)
Show SMILES Cc1cc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)no1
Show InChI InChI=1S/C17H18N4O3/c1-10-9-14(20-24-10)19-17(23)18-12-6-4-5-11-15(12)13-7-2-3-8-21(13)16(11)22/h4-6,9,13H,2-3,7-8H2,1H3,(H2,18,19,20,23)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50161347
PNG
(CHEMBL3786624)
Show SMILES O=Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C16H13N3O/c1-9-4-5-10-8-12-14(11(10)7-9)18-16(17)19-15(12)13-3-2-6-20-13/h2-7H,8H2,1H3,(H2,17,18,19)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of GST fused human recombinant DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by scintillation counting in...


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50161343
PNG
(CHEMBL3787557)
Show SMILES CN1CCN(Cc2ccnc(NC(=O)Nc3cccc4C(=O)N5CCCCC5c34)c2)CC1
Show InChI InChI=1S/C16H16BrN3O/c1-8-2-3-9-7-11-14(10(9)6-8)19-16(18)20-15(11)12-4-5-13(17)21-12/h2-3,6,12-13H,4-5,7H2,1H3,(H2,18,19,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of GST fused human recombinant DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by scintillation counting in...


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161357
PNG
(CHEMBL3787584)
Show SMILES CCN(CC)Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C16H11N3O/c17-16-18-13(10-6-2-1-3-7-10)15-14(19-16)11-8-4-5-9-12(11)20-15/h1-9H,(H2,17,18,19)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
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