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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'deslandes' and Initial = 's'   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50216171
PNG
(CHEMBL393545 | pyrrolo[3',4':5,6]indolizino[8,7-b]...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1cccn21
Show InChI InChI=1S/C16H9N3O2/c20-15-12-11-8-4-1-2-5-9(8)17-13(11)10-6-3-7-19(10)14(12)16(21)18-15/h1-7,17H,(H,18,20,21)
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n/an/a 24n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393843
PNG
(CHEMBL2159748)
Show SMILES O=C(N1CCC[C@H]1C#N)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C21H19N3O2/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11,13-14H2/t17-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in human HCEC cell extracts using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393843
PNG
(CHEMBL2159748)
Show SMILES O=C(N1CCC[C@H]1C#N)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C21H19N3O2/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11,13-14H2/t17-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in human LNZ308 cell extracts using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393843
PNG
(CHEMBL2159748)
Show SMILES O=C(N1CCC[C@H]1C#N)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C21H19N3O2/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11,13-14H2/t17-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in human LN229 cell extracts using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393844
PNG
(CHEMBL2159745)
Show SMILES O=C(NCc1ccccc1)c1ccccc1C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H19N3O2/c21-13-16-9-6-12-23(16)20(25)18-11-5-4-10-17(18)19(24)22-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12,14H2,(H,22,24)/t16-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in human HCEC cell extracts using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393844
PNG
(CHEMBL2159745)
Show SMILES O=C(NCc1ccccc1)c1ccccc1C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H19N3O2/c21-13-16-9-6-12-23(16)20(25)18-11-5-4-10-17(18)19(24)22-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12,14H2,(H,22,24)/t16-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in human LN18 cell extracts using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393844
PNG
(CHEMBL2159745)
Show SMILES O=C(NCc1ccccc1)c1ccccc1C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H19N3O2/c21-13-16-9-6-12-23(16)20(25)18-11-5-4-10-17(18)19(24)22-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12,14H2,(H,22,24)/t16-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in human LN229 cell extracts using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393844
PNG
(CHEMBL2159745)
Show SMILES O=C(NCc1ccccc1)c1ccccc1C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H19N3O2/c21-13-16-9-6-12-23(16)20(25)18-11-5-4-10-17(18)19(24)22-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12,14H2,(H,22,24)/t16-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in human LNZ308 cell extracts using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393843
PNG
(CHEMBL2159748)
Show SMILES O=C(N1CCC[C@H]1C#N)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C21H19N3O2/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11,13-14H2/t17-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in human LN18 cell extracts using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50385583
PNG
(CHEMBL2041917)
Show SMILES Oc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4ccnn34)c2c1
Show InChI InChI=1S/C15H8N4O3/c20-6-1-2-8-7(5-6)10-12-11(14(21)18-15(12)22)9-3-4-16-19(9)13(10)17-8/h1-5,17,20H,(H,18,21,22)
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Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of GST-fused mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50385585
PNG
(CHEMBL2041919)
Show SMILES Cc1ccc2[nH]c3c4c[nH]nc4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C16H10N4O2/c1-6-2-3-9-7(4-6)10-11-12(16(22)19-15(11)21)14-8(5-17-20-14)13(10)18-9/h2-5,18H,1H3,(H,17,20)(H,19,21,22)
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Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of GST-fused mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393842
PNG
(CHEMBL2159749)
Show SMILES O=C(N1CCCC1)c1cccc2CN(Cc3ccccc3)C(=O)c12
Show InChI InChI=1S/C20H20N2O2/c23-19(21-11-4-5-12-21)17-10-6-9-16-14-22(20(24)18(16)17)13-15-7-2-1-3-8-15/h1-3,6-10H,4-5,11-14H2
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n/an/a 150n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition at human recombinant POP


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50385583
PNG
(CHEMBL2041917)
Show SMILES Oc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4ccnn34)c2c1
Show InChI InChI=1S/C15H8N4O3/c20-6-1-2-8-7(5-6)10-12-11(14(21)18-15(12)22)9-3-4-16-19(9)13(10)17-8/h1-5,17,20H,(H,18,21,22)
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n/an/a 180n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


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


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393843
PNG
(CHEMBL2159748)
Show SMILES O=C(N1CCC[C@H]1C#N)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C21H19N3O2/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11,13-14H2/t17-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in intact human LNZ308 cells using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50216159
PNG
(5-hydroxy-pyrrolo[3',4':5,6]indolizino[8,7-b]indol...)
Show SMILES Oc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C16H9N3O3/c20-7-3-4-9-8(6-7)11-12-14(16(22)18-15(12)21)19-5-1-2-10(19)13(11)17-9/h1-6,17,20H,(H,18,21,22)
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Universit£ Paul Sabatier

Curated by ChEMBL


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


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393844
PNG
(CHEMBL2159745)
Show SMILES O=C(NCc1ccccc1)c1ccccc1C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H19N3O2/c21-13-16-9-6-12-23(16)20(25)18-11-5-4-10-17(18)19(24)22-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12,14H2,(H,22,24)/t16-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in intact human LN18 cells using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50216159
PNG
(5-hydroxy-pyrrolo[3',4':5,6]indolizino[8,7-b]indol...)
Show SMILES Oc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C16H9N3O3/c20-7-3-4-9-8(6-7)11-12-14(16(22)18-15(12)21)19-5-1-2-10(19)13(11)17-9/h1-6,17,20H,(H,18,21,22)
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Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of GST-fused mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393844
PNG
(CHEMBL2159745)
Show SMILES O=C(NCc1ccccc1)c1ccccc1C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H19N3O2/c21-13-16-9-6-12-23(16)20(25)18-11-5-4-10-17(18)19(24)22-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12,14H2,(H,22,24)/t16-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in intact human HCEC cells using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393844
PNG
(CHEMBL2159745)
Show SMILES O=C(NCc1ccccc1)c1ccccc1C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H19N3O2/c21-13-16-9-6-12-23(16)20(25)18-11-5-4-10-17(18)19(24)22-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12,14H2,(H,22,24)/t16-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in intact human LNZ308 cells using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50385580
PNG
(CHEMBL2041914)
Show SMILES O=C1NC(=O)c2c1c1ccnn1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C15H8N4O2/c20-14-11-9-5-6-16-19(9)13-10(12(11)15(21)18-14)7-3-1-2-4-8(7)17-13/h1-6,17H,(H,18,20,21)
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Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of GST-fused mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393843
PNG
(CHEMBL2159748)
Show SMILES O=C(N1CCC[C@H]1C#N)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C21H19N3O2/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11,13-14H2/t17-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in intact human LN18 cells using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50385585
PNG
(CHEMBL2041919)
Show SMILES Cc1ccc2[nH]c3c4c[nH]nc4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C16H10N4O2/c1-6-2-3-9-7(4-6)10-11-12(16(22)19-15(11)21)14-8(5-17-20-14)13(10)18-9/h2-5,18H,1H3,(H,17,20)(H,19,21,22)
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n/an/a 310n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393842
PNG
(CHEMBL2159749)
Show SMILES O=C(N1CCCC1)c1cccc2CN(Cc3ccccc3)C(=O)c12
Show InChI InChI=1S/C20H20N2O2/c23-19(21-11-4-5-12-21)17-10-6-9-16-14-22(20(24)18(16)17)13-15-7-2-1-3-8-15/h1-3,6-10H,4-5,11-14H2
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n/an/a 350n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in human LNZ308 cell extracts using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50385584
PNG
(CHEMBL2041918)
Show SMILES O=C1NC(=O)c2c1c1n[nH]cc1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C15H8N4O2/c20-14-10-9-6-3-1-2-4-8(6)17-12(9)7-5-16-19-13(7)11(10)15(21)18-14/h1-5,17H,(H,16,19)(H,18,20,21)
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n/an/a 420n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of GST-fused mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393843
PNG
(CHEMBL2159748)
Show SMILES O=C(N1CCC[C@H]1C#N)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C21H19N3O2/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11,13-14H2/t17-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in intact human LN229 cells using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393844
PNG
(CHEMBL2159745)
Show SMILES O=C(NCc1ccccc1)c1ccccc1C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H19N3O2/c21-13-16-9-6-12-23(16)20(25)18-11-5-4-10-17(18)19(24)22-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12,14H2,(H,22,24)/t16-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in intact human LN229 cells using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393843
PNG
(CHEMBL2159748)
Show SMILES O=C(N1CCC[C@H]1C#N)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C21H19N3O2/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11,13-14H2/t17-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in intact human HCEC cells using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393842
PNG
(CHEMBL2159749)
Show SMILES O=C(N1CCCC1)c1cccc2CN(Cc3ccccc3)C(=O)c12
Show InChI InChI=1S/C20H20N2O2/c23-19(21-11-4-5-12-21)17-10-6-9-16-14-22(20(24)18(16)17)13-15-7-2-1-3-8-15/h1-3,6-10H,4-5,11-14H2
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n/an/a 500n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in human LN229 cell extracts using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50385583
PNG
(CHEMBL2041917)
Show SMILES Oc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4ccnn34)c2c1
Show InChI InChI=1S/C15H8N4O3/c20-6-1-2-8-7(5-6)10-12-11(14(21)18-15(12)22)9-3-4-16-19(9)13(10)17-8/h1-5,17,20H,(H,18,21,22)
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n/an/a 510n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50216171
PNG
(CHEMBL393545 | pyrrolo[3',4':5,6]indolizino[8,7-b]...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1cccn21
Show InChI InChI=1S/C16H9N3O2/c20-15-12-11-8-4-1-2-5-9(8)17-13(11)10-6-3-7-19(10)14(12)16(21)18-15/h1-7,17H,(H,18,20,21)
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n/an/a 520n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of GST-fused mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393842
PNG
(CHEMBL2159749)
Show SMILES O=C(N1CCCC1)c1cccc2CN(Cc3ccccc3)C(=O)c12
Show InChI InChI=1S/C20H20N2O2/c23-19(21-11-4-5-12-21)17-10-6-9-16-14-22(20(24)18(16)17)13-15-7-2-1-3-8-15/h1-3,6-10H,4-5,11-14H2
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n/an/a 580n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in intact human LN18 cells using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393842
PNG
(CHEMBL2159749)
Show SMILES O=C(N1CCCC1)c1cccc2CN(Cc3ccccc3)C(=O)c12
Show InChI InChI=1S/C20H20N2O2/c23-19(21-11-4-5-12-21)17-10-6-9-16-14-22(20(24)18(16)17)13-15-7-2-1-3-8-15/h1-3,6-10H,4-5,11-14H2
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n/an/a 610n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in intact human LN229 cells using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393842
PNG
(CHEMBL2159749)
Show SMILES O=C(N1CCCC1)c1cccc2CN(Cc3ccccc3)C(=O)c12
Show InChI InChI=1S/C20H20N2O2/c23-19(21-11-4-5-12-21)17-10-6-9-16-14-22(20(24)18(16)17)13-15-7-2-1-3-8-15/h1-3,6-10H,4-5,11-14H2
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n/an/a 620n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in human HCEC cell extracts using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393842
PNG
(CHEMBL2159749)
Show SMILES O=C(N1CCCC1)c1cccc2CN(Cc3ccccc3)C(=O)c12
Show InChI InChI=1S/C20H20N2O2/c23-19(21-11-4-5-12-21)17-10-6-9-16-14-22(20(24)18(16)17)13-15-7-2-1-3-8-15/h1-3,6-10H,4-5,11-14H2
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n/an/a 620n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in human LN18 cell extracts using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393842
PNG
(CHEMBL2159749)
Show SMILES O=C(N1CCCC1)c1cccc2CN(Cc3ccccc3)C(=O)c12
Show InChI InChI=1S/C20H20N2O2/c23-19(21-11-4-5-12-21)17-10-6-9-16-14-22(20(24)18(16)17)13-15-7-2-1-3-8-15/h1-3,6-10H,4-5,11-14H2
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n/an/a 640n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in intact human LNZ308 cells using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50393842
PNG
(CHEMBL2159749)
Show SMILES O=C(N1CCCC1)c1cccc2CN(Cc3ccccc3)C(=O)c12
Show InChI InChI=1S/C20H20N2O2/c23-19(21-11-4-5-12-21)17-10-6-9-16-14-22(20(24)18(16)17)13-15-7-2-1-3-8-15/h1-3,6-10H,4-5,11-14H2
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n/an/a 680n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in intact human HCEC cells using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay


J Med Chem 55: 6306-15 (2012)


Article DOI: 10.1021/jm3002839
BindingDB Entry DOI: 10.7270/Q2D79CHF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50385584
PNG
(CHEMBL2041918)
Show SMILES O=C1NC(=O)c2c1c1n[nH]cc1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C15H8N4O2/c20-14-10-9-6-3-1-2-4-8(6)17-12(9)7-5-16-19-13(7)11(10)15(21)18-14/h1-5,17H,(H,16,19)(H,18,20,21)
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n/an/a 910n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50216171
PNG
(CHEMBL393545 | pyrrolo[3',4':5,6]indolizino[8,7-b]...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1cccn21
Show InChI InChI=1S/C16H9N3O2/c20-15-12-11-8-4-1-2-5-9(8)17-13(11)10-6-3-7-19(10)14(12)16(21)18-15/h1-7,17H,(H,18,20,21)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


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


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50385585
PNG
(CHEMBL2041919)
Show SMILES Cc1ccc2[nH]c3c4c[nH]nc4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C16H10N4O2/c1-6-2-3-9-7(4-6)10-11-12(16(22)19-15(11)21)14-8(5-17-20-14)13(10)18-9/h2-5,18H,1H3,(H,17,20)(H,19,21,22)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


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


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50385579
PNG
(CHEMBL2041749)
Show SMILES Cc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C17H11N3O2/c1-8-4-5-10-9(7-8)12-13-15(17(22)19-16(13)21)20-6-2-3-11(20)14(12)18-10/h2-7,18H,1H3,(H,19,21,22)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of GST-fused mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50385584
PNG
(CHEMBL2041918)
Show SMILES O=C1NC(=O)c2c1c1n[nH]cc1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C15H8N4O2/c20-14-10-9-6-3-1-2-4-8(6)17-12(9)7-5-16-19-13(7)11(10)15(21)18-14/h1-5,17H,(H,16,19)(H,18,20,21)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


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


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50385580
PNG
(CHEMBL2041914)
Show SMILES O=C1NC(=O)c2c1c1ccnn1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C15H8N4O2/c20-14-11-9-5-6-16-19(9)13-10(12(11)15(21)18-14)7-3-1-2-4-8(7)17-13/h1-6,17H,(H,18,20,21)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


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


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50216171
PNG
(CHEMBL393545 | pyrrolo[3',4':5,6]indolizino[8,7-b]...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1cccn21
Show InChI InChI=1S/C16H9N3O2/c20-15-12-11-8-4-1-2-5-9(8)17-13(11)10-6-3-7-19(10)14(12)16(21)18-15/h1-7,17H,(H,18,20,21)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50216159
PNG
(5-hydroxy-pyrrolo[3',4':5,6]indolizino[8,7-b]indol...)
Show SMILES Oc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C16H9N3O3/c20-7-3-4-9-8(6-7)11-12-14(16(22)18-15(12)21)19-5-1-2-10(19)13(11)17-9/h1-6,17,20H,(H,18,21,22)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50385581
PNG
(CHEMBL2041915)
Show SMILES Cc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4ccnn34)c2c1
Show InChI InChI=1S/C16H10N4O2/c1-7-2-3-9-8(6-7)11-13-12(15(21)19-16(13)22)10-4-5-17-20(10)14(11)18-9/h2-6,18H,1H3,(H,19,21,22)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of GST-fused mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50385580
PNG
(CHEMBL2041914)
Show SMILES O=C1NC(=O)c2c1c1ccnn1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C15H8N4O2/c20-14-11-9-5-6-16-19(9)13-10(12(11)15(21)18-14)7-3-1-2-4-8(7)17-13/h1-6,17H,(H,18,20,21)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50385579
PNG
(CHEMBL2041749)
Show SMILES Cc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C17H11N3O2/c1-8-4-5-10-9(7-8)12-13-15(17(22)19-16(13)21)20-6-2-3-11(20)14(12)18-10/h2-7,18H,1H3,(H,19,21,22)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50385579
PNG
(CHEMBL2041749)
Show SMILES Cc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C17H11N3O2/c1-8-4-5-10-9(7-8)12-13-15(17(22)19-16(13)21)20-6-2-3-11(20)14(12)18-10/h2-7,18H,1H3,(H,19,21,22)
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n/an/a 8.30E+3n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


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


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50385578
PNG
(CHEMBL2041912)
Show SMILES COc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C17H11N3O3/c1-23-8-4-5-10-9(7-8)12-13-15(17(22)19-16(13)21)20-6-2-3-11(20)14(12)18-10/h2-7,18H,1H3,(H,19,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50385578
PNG
(CHEMBL2041912)
Show SMILES COc1ccc2[nH]c3c4cccn4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C17H11N3O3/c1-23-8-4-5-10-9(7-8)12-13-15(17(22)19-16(13)21)20-6-2-3-11(20)14(12)18-10/h2-7,18H,1H3,(H,19,21,22)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of GST-fused mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
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