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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50039750   
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 activator 1


(Homo sapiens (Human))
BDBM50383311
PNG
(CHEMBL2029619)
Show SMILES CN1CCC[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)10-15(23)19-16(24)11-17(25-20(18)19)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22-23H,5,8-9H2,1H3/t13-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by scintillation counting


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50383305
PNG
(CHEMBL2029615)
Show SMILES CN1CCCC[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)11-16(24)20-17(25)12-18(26-21(19)20)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23-24H,5-6,9-10H2,1H3/t14-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by scintillation counting


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by scintillation counting


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50383306
PNG
(CHEMBL2029618)
Show SMILES CN1CCC[C@@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)10-15(23)19-16(24)11-17(25-20(18)19)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22-23H,5,8-9H2,1H3/t13-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by scintillation counting


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50383304
PNG
(CHEMBL2029622)
Show SMILES CCCCC[C@@H](NC)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C22H25NO4/c1-3-4-6-11-15(23-2)20-16(24)12-17(25)21-18(26)13-19(27-22(20)21)14-9-7-5-8-10-14/h5,7-10,12-13,15,23-25H,3-4,6,11H2,1-2H3/t15-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by scintillation counting


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50383304
PNG
(CHEMBL2029622)
Show SMILES CCCCC[C@@H](NC)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C22H25NO4/c1-3-4-6-11-15(23-2)20-16(24)12-17(25)21-18(26)13-19(27-22(20)21)14-9-7-5-8-10-14/h5,7-10,12-13,15,23-25H,3-4,6,11H2,1-2H3/t15-/m1/s1
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n/an/a 520n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by scintillation counting


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50383306
PNG
(CHEMBL2029618)
Show SMILES CN1CCC[C@@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)10-15(23)19-16(24)11-17(25-20(18)19)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22-23H,5,8-9H2,1H3/t13-/m1/s1
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n/an/a 570n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by scintillation counting


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50383311
PNG
(CHEMBL2029619)
Show SMILES CN1CCC[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)10-15(23)19-16(24)11-17(25-20(18)19)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22-23H,5,8-9H2,1H3/t13-/m0/s1
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n/an/a 670n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50383307
PNG
(CHEMBL2029614)
Show SMILES CN1CCCC[C@@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)11-16(24)20-17(25)12-18(26-21(19)20)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23-24H,5-6,9-10H2,1H3/t14-/m1/s1
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n/an/a 950n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by scintillation counting


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50383312
PNG
(CHEMBL2029620)
Show SMILES Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1C1CCCN1
Show InChI InChI=1S/C19H17NO4/c21-13-9-14(22)18-15(23)10-16(11-5-2-1-3-6-11)24-19(18)17(13)12-7-4-8-20-12/h1-3,5-6,9-10,12,20-22H,4,7-8H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by scintillation counting


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50383306
PNG
(CHEMBL2029618)
Show SMILES CN1CCC[C@@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)10-15(23)19-16(24)11-17(25-20(18)19)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22-23H,5,8-9H2,1H3/t13-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50383305
PNG
(CHEMBL2029615)
Show SMILES CN1CCCC[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)11-16(24)20-17(25)12-18(26-21(19)20)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23-24H,5-6,9-10H2,1H3/t14-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by scintillation counting


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50383313
PNG
(CHEMBL2029623)
Show SMILES CCCCC[C@H](NC)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C22H25NO4/c1-3-4-6-11-15(23-2)20-16(24)12-17(25)21-18(26)13-19(27-22(20)21)14-9-7-5-8-10-14/h5,7-10,12-13,15,23-25H,3-4,6,11H2,1-2H3/t15-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by scintillation counting


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50383305
PNG
(CHEMBL2029615)
Show SMILES CN1CCCC[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)11-16(24)20-17(25)12-18(26-21(19)20)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23-24H,5-6,9-10H2,1H3/t14-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50383308
PNG
(CHEMBL523951)
Show SMILES Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1C1CCCCN1
Show InChI InChI=1S/C20H19NO4/c22-14-10-15(23)19-16(24)11-17(12-6-2-1-3-7-12)25-20(19)18(14)13-8-4-5-9-21-13/h1-3,6-7,10-11,13,21-23H,4-5,8-9H2
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n/an/a 5.50E+3n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by scintillation counting


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50383306
PNG
(CHEMBL2029618)
Show SMILES CN1CCC[C@@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)10-15(23)19-16(24)11-17(25-20(18)19)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22-23H,5,8-9H2,1H3/t13-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50383305
PNG
(CHEMBL2029615)
Show SMILES CN1CCCC[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)11-16(24)20-17(25)12-18(26-21(19)20)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23-24H,5-6,9-10H2,1H3/t14-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50383307
PNG
(CHEMBL2029614)
Show SMILES CN1CCCC[C@@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)11-16(24)20-17(25)12-18(26-21(19)20)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23-24H,5-6,9-10H2,1H3/t14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50383308
PNG
(CHEMBL523951)
Show SMILES Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1C1CCCCN1
Show InChI InChI=1S/C20H19NO4/c22-14-10-15(23)19-16(24)11-17(12-6-2-1-3-7-12)25-20(19)18(14)13-8-4-5-9-21-13/h1-3,6-7,10-11,13,21-23H,4-5,8-9H2
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50383309
PNG
(CHEMBL2029616)
Show SMILES COc1cc(O)c(C2CCCCN2)c2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C21H21NO4/c1-25-18-12-15(23)19(14-9-5-6-10-22-14)21-20(18)16(24)11-17(26-21)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,22-23H,5-6,9-10H2,1H3
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50383310
PNG
(BUCHENAVIANINE)
Show SMILES COc1cc(O)c(C2CCCCN2C)c2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C22H23NO4/c1-23-11-7-6-10-15(23)20-16(24)13-19(26-2)21-17(25)12-18(27-22(20)21)14-8-4-3-5-9-14/h3-5,8-9,12-13,15,24H,6-7,10-11H2,1-2H3
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50383304
PNG
(CHEMBL2029622)
Show SMILES CCCCC[C@@H](NC)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C22H25NO4/c1-3-4-6-11-15(23-2)20-16(24)12-17(25)21-18(26)13-19(27-22(20)21)14-9-7-5-8-10-14/h5,7-10,12-13,15,23-25H,3-4,6,11H2,1-2H3/t15-/m1/s1
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50383305
PNG
(CHEMBL2029615)
Show SMILES CN1CCCC[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)11-16(24)20-17(25)12-18(26-21(19)20)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23-24H,5-6,9-10H2,1H3/t14-/m0/s1
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50383312
PNG
(CHEMBL2029620)
Show SMILES Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1C1CCCN1
Show InChI InChI=1S/C19H17NO4/c21-13-9-14(22)18-15(23)10-16(11-5-2-1-3-6-11)24-19(18)17(13)12-7-4-8-20-12/h1-3,5-6,9-10,12,20-22H,4,7-8H2
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50383304
PNG
(CHEMBL2029622)
Show SMILES CCCCC[C@@H](NC)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C22H25NO4/c1-3-4-6-11-15(23-2)20-16(24)12-17(25)21-18(26)13-19(27-22(20)21)14-9-7-5-8-10-14/h5,7-10,12-13,15,23-25H,3-4,6,11H2,1-2H3/t15-/m1/s1
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50383310
PNG
(BUCHENAVIANINE)
Show SMILES COc1cc(O)c(C2CCCCN2C)c2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C22H23NO4/c1-23-11-7-6-10-15(23)20-16(24)13-19(26-2)21-17(25)12-18(27-22(20)21)14-8-4-3-5-9-14/h3-5,8-9,12-13,15,24H,6-7,10-11H2,1-2H3
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by scintillation counting


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50383307
PNG
(CHEMBL2029614)
Show SMILES CN1CCCC[C@@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)11-16(24)20-17(25)12-18(26-21(19)20)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23-24H,5-6,9-10H2,1H3/t14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50383305
PNG
(CHEMBL2029615)
Show SMILES CN1CCCC[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)11-16(24)20-17(25)12-18(26-21(19)20)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23-24H,5-6,9-10H2,1H3/t14-/m0/s1
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50383308
PNG
(CHEMBL523951)
Show SMILES Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1C1CCCCN1
Show InChI InChI=1S/C20H19NO4/c22-14-10-15(23)19-16(24)11-17(12-6-2-1-3-7-12)25-20(19)18(14)13-8-4-5-9-21-13/h1-3,6-7,10-11,13,21-23H,4-5,8-9H2
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50383309
PNG
(CHEMBL2029616)
Show SMILES COc1cc(O)c(C2CCCCN2)c2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C21H21NO4/c1-25-18-12-15(23)19(14-9-5-6-10-22-14)21-20(18)16(24)11-17(26-21)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,22-23H,5-6,9-10H2,1H3
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50383310
PNG
(BUCHENAVIANINE)
Show SMILES COc1cc(O)c(C2CCCCN2C)c2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C22H23NO4/c1-23-11-7-6-10-15(23)20-16(24)13-19(26-2)21-17(25)12-18(27-22(20)21)14-8-4-3-5-9-14/h3-5,8-9,12-13,15,24H,6-7,10-11H2,1-2H3
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50383311
PNG
(CHEMBL2029619)
Show SMILES CN1CCC[C@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)10-15(23)19-16(24)11-17(25-20(18)19)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22-23H,5,8-9H2,1H3/t13-/m0/s1
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50383312
PNG
(CHEMBL2029620)
Show SMILES Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1C1CCCN1
Show InChI InChI=1S/C19H17NO4/c21-13-9-14(22)18-15(23)10-16(11-5-2-1-3-6-11)24-19(18)17(13)12-7-4-8-20-12/h1-3,5-6,9-10,12,20-22H,4,7-8H2
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50383304
PNG
(CHEMBL2029622)
Show SMILES CCCCC[C@@H](NC)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C22H25NO4/c1-3-4-6-11-15(23-2)20-16(24)12-17(25)21-18(26)13-19(27-22(20)21)14-9-7-5-8-10-14/h5,7-10,12-13,15,23-25H,3-4,6,11H2,1-2H3/t15-/m1/s1
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50383313
PNG
(CHEMBL2029623)
Show SMILES CCCCC[C@H](NC)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C22H25NO4/c1-3-4-6-11-15(23-2)20-16(24)12-17(25)21-18(26)13-19(27-22(20)21)14-9-7-5-8-10-14/h5,7-10,12-13,15,23-25H,3-4,6,11H2,1-2H3/t15-/m0/s1
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50383309
PNG
(CHEMBL2029616)
Show SMILES COc1cc(O)c(C2CCCCN2)c2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C21H21NO4/c1-25-18-12-15(23)19(14-9-5-6-10-22-14)21-20(18)16(24)11-17(26-21)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,22-23H,5-6,9-10H2,1H3
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Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by scintillation counting


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50383304
PNG
(CHEMBL2029622)
Show SMILES CCCCC[C@@H](NC)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C22H25NO4/c1-3-4-6-11-15(23-2)20-16(24)12-17(25)21-18(26)13-19(27-22(20)21)14-9-7-5-8-10-14/h5,7-10,12-13,15,23-25H,3-4,6,11H2,1-2H3/t15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50383306
PNG
(CHEMBL2029618)
Show SMILES CN1CCC[C@@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)10-15(23)19-16(24)11-17(25-20(18)19)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22-23H,5,8-9H2,1H3/t13-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50383306
PNG
(CHEMBL2029618)
Show SMILES CN1CCC[C@@H]1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C20H19NO4/c1-21-9-5-8-13(21)18-14(22)10-15(23)19-16(24)11-17(25-20(18)19)12-6-3-2-4-7-12/h2-4,6-7,10-11,13,22-23H,5,8-9H2,1H3/t13-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50383313
PNG
(CHEMBL2029623)
Show SMILES CCCCC[C@H](NC)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
Show InChI InChI=1S/C22H25NO4/c1-3-4-6-11-15(23-2)20-16(24)12-17(25)21-18(26)13-19(27-22(20)21)14-9-7-5-8-10-14/h5,7-10,12-13,15,23-25H,3-4,6,11H2,1-2H3/t15-/m0/s1
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles (ICSN)

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate


J Med Chem 55: 2811-9 (2012)


Article DOI: 10.1021/jm201727w
BindingDB Entry DOI: 10.7270/Q29W0GHW
More data for this
Ligand-Target Pair