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Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'nauton' and Initial = 'l'   
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 pim-3


(Homo sapiens (Human))		BDBM50326438
PNG
(9-trifluoromethyl-1,10-dihydropyrrolo[2,3-a]carbaz...)
Show SMILES FC(F)(F)c1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c12
Show InChI InChI=1S/C16H9F3N2O/c17-16(18,19)12-3-1-2-10-11-5-4-9-8(7-22)6-20-14(9)15(11)21-13(10)12/h1-7,20-21H
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n/an/a 6n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins

Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50326436
PNG
(6-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1cccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c12
Show InChI InChI=1S/C15H9BrN2O/c16-11-2-1-3-12-13(11)10-5-4-9-8(7-19)6-17-14(9)15(10)18-12/h1-7,17-18H
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n/an/a 6.80n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim1 expressed in Escherichia coli after 30 mins

Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50299249
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde...)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Pim3 using RSRHSSYPAGT as substrate

Eur J Med Chem 56: 225-236 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.029
BindingDB Entry DOI: 10.7270/Q2XK8GTF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50299249
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde...)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
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n/an/a 10n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins

Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50326436
PNG
(6-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1cccc2[nH]c3c(ccc4c(C=O)c[nH]c34)c12
Show InChI InChI=1S/C15H9BrN2O/c16-11-2-1-3-12-13(11)10-5-4-9-8(7-19)6-17-14(9)15(10)18-12/h1-7,17-18H
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n/an/a 12.4n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins

Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50326438
PNG
(9-trifluoromethyl-1,10-dihydropyrrolo[2,3-a]carbaz...)
Show SMILES FC(F)(F)c1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c12
Show InChI InChI=1S/C16H9F3N2O/c17-16(18,19)12-3-1-2-10-11-5-4-9-8(7-22)6-20-14(9)15(11)21-13(10)12/h1-7,20-21H
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n/an/a 18n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim1 expressed in Escherichia coli after 30 mins

Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50055958
PNG
(CHEMBL3326555)
Show SMILES [O-][N+](=O)c1cc2[nH]ncc2c2c1ncc1ccccc21
Show InChI InChI=1S/C14H8N4O2/c19-18(20)12-5-11-10(7-16-17-11)13-9-4-2-1-3-8(9)6-15-14(12)13/h1-7H,(H,16,17)
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n/an/a 20n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of full-length human PIM3 using RSRHSSYPAGT as substrate assessed as residual kinase activity after 30 mins in presence of [gamma-33P]ATP

Bioorg Med Chem 22: 4704-10 (2014)


Article DOI: 10.1016/j.bmc.2014.07.011
BindingDB Entry DOI: 10.7270/Q2MS3VD0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50178616
PNG
(CHEMBL3814423)
Show SMILES c1n[nH]c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C19H12N4/c1-3-7-13-10(5-1)15-12-9-20-23-17(12)16-11-6-2-4-8-14(11)22-19(16)18(15)21-13/h1-9,21-22H,(H,20,23)
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n/an/a 22n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of human full length (His)6-tagged Pim-3 expressed in insect Sf21 cells using RSRHSSYPAGT as substrate measured for 30 mins by [gamma-33P]...

Bioorg Med Chem 24: 3116-24 (2016)


Article DOI: 10.1016/j.bmc.2016.05.032
BindingDB Entry DOI: 10.7270/Q2ZG6V50
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50326441
PNG
(9-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c12
Show InChI InChI=1S/C15H9BrN2O/c16-12-3-1-2-10-11-5-4-9-8(7-19)6-17-14(9)15(11)18-13(10)12/h1-7,17-18H
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n/an/a 24n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins

Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50347798
PNG
(CHEMBL1802410)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2c(N)cccc12
Show InChI InChI=1S/C12H10IN5/c13-8-5-17-12(15)18-10(8)7-4-16-11-6(7)2-1-3-9(11)14/h1-5,16H,14H2,(H2,15,17,18)
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n/an/a 26n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)		BDBM50185005
PNG
(CHEMBL3823483)
Show SMILES Nc1ncc2cc3cnccc3c(N)c2n1
Show InChI InChI=1S/C11H9N5/c12-9-8-1-2-14-4-6(8)3-7-5-15-11(13)16-10(7)9/h1-5H,12H2,(H2,13,15,16)
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n/an/a 28n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using myelin basic protein as substrate incubated for 30 mins in presen...

Eur J Med Chem 118: 170-7 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.004
BindingDB Entry DOI: 10.7270/Q29888XM
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50347802
PNG
(CHEMBL1802406)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H9IN4/c13-9-6-16-12(14)17-11(9)8-5-15-10-4-2-1-3-7(8)10/h1-6,15H,(H2,14,16,17)
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n/an/a 30n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50326439
PNG
(CHEMBL1243128 | Methyl 3-formyl-1,10-dihydropyrrol...)
Show SMILES COC(=O)c1cccc2c3ccc4c(C=O)c[nH]c4c3[nH]c12
Show InChI InChI=1S/C17H12N2O3/c1-22-17(21)13-4-2-3-11-12-6-5-10-9(8-20)7-18-15(10)16(12)19-14(11)13/h2-8,18-19H,1H3
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n/an/a 30n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim1 expressed in Escherichia coli after 30 mins

Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50326441
PNG
(9-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c12
Show InChI InChI=1S/C15H9BrN2O/c16-12-3-1-2-10-11-5-4-9-8(7-19)6-17-14(9)15(11)18-13(10)12/h1-7,17-18H
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n/an/a 31n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim1 expressed in Escherichia coli after 30 mins

Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50347793
PNG
(CHEMBL1802966)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C12H8BrIN4/c13-6-1-2-7-8(4-16-10(7)3-6)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)
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n/an/a 32n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50432942
PNG
(CHEMBL2377721)
Show SMILES Nc1cc2cn[nH]c2c2cc[nH]c12
Show InChI InChI=1S/C9H8N4/c10-7-3-5-4-12-13-8(5)6-1-2-11-9(6)7/h1-4,11H,10H2,(H,12,13)
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n/an/a 33n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human full length Pim-3 using RSRHSSYPAGT as substrate assessed as residual activity after 30 mins in presence of [gamma-33P]ATP

Bioorg Med Chem Lett 23: 2298-301 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.074
BindingDB Entry DOI: 10.7270/Q26111PK
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)		BDBM50347793
PNG
(CHEMBL1802966)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C12H8BrIN4/c13-6-1-2-7-8(4-16-10(7)3-6)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)
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n/an/a 34n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)		BDBM50347792
PNG
(CHEMBL1802967)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C12H8BrIN4/c13-8-3-1-2-6-7(4-16-10(6)8)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)
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n/an/a 39n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50436564
PNG
(CHEMBL2397523)
Show SMILES [O-][N+](=O)c1cc2n[nH]cc2c2c1[nH]c1ccccc21
Show InChI InChI=1S/C13H8N4O2/c18-17(19)11-5-10-8(6-14-16-10)12-7-3-1-2-4-9(7)15-13(11)12/h1-6,15H,(H,14,16)
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n/an/a 40n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM1 using RSRHSSYPAGT as substrate after 30 mins

Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50326439
PNG
(CHEMBL1243128 | Methyl 3-formyl-1,10-dihydropyrrol...)
Show SMILES COC(=O)c1cccc2c3ccc4c(C=O)c[nH]c4c3[nH]c12
Show InChI InChI=1S/C17H12N2O3/c1-22-17(21)13-4-2-3-11-12-6-5-10-9(8-20)7-18-15(10)16(12)19-14(11)13/h2-8,18-19H,1H3
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Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins

Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50185005
PNG
(CHEMBL3823483)
Show SMILES Nc1ncc2cc3cnccc3c(N)c2n1
Show InChI InChI=1S/C11H9N5/c12-9-8-1-2-14-4-6(8)3-7-5-15-11(13)16-10(7)9/h1-5H,12H2,(H2,13,15,16)
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n/an/a 41n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


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

Eur J Med Chem 118: 170-7 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.004
BindingDB Entry DOI: 10.7270/Q29888XM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50347815
PNG
(CHEMBL1802405)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H8IN5O2/c13-8-5-16-12(14)17-10(8)7-4-15-11-6(7)2-1-3-9(11)18(19)20/h1-5,15H,(H2,14,16,17)
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n/an/a 41n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50347792
PNG
(CHEMBL1802967)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C12H8BrIN4/c13-8-3-1-2-6-7(4-16-10(6)8)11-9(14)5-17-12(15)18-11/h1-5,16H,(H2,15,17,18)
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n/an/a 42n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50326440
PNG
(9-Ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES CCc1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c12
Show InChI InChI=1S/C17H14N2O/c1-2-10-4-3-5-13-14-7-6-12-11(9-20)8-18-16(12)17(14)19-15(10)13/h3-9,18-19H,2H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins

Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50347796
PNG
(CHEMBL1802963)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C12H9BrN4/c13-9-3-1-2-7-8(6-16-11(7)9)10-4-5-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
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n/an/a 65n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)		BDBM50347802
PNG
(CHEMBL1802406)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H9IN4/c13-9-6-16-12(14)17-11(9)8-5-15-10-4-2-1-3-7(8)10/h1-6,15H,(H2,14,16,17)
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n/an/a 66n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50326440
PNG
(9-Ethyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES CCc1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c12
Show InChI InChI=1S/C17H14N2O/c1-2-10-4-3-5-13-14-7-6-12-11(9-20)8-18-16(12)17(14)19-15(10)13/h3-9,18-19H,2H2,1H3
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n/an/a 66n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim1 expressed in Escherichia coli after 30 mins

Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50347803
PNG
(CHEMBL1802404)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H8IN5O2/c13-9-5-16-12(14)17-11(9)8-4-15-10-3-6(18(19)20)1-2-7(8)10/h1-5,15H,(H2,14,16,17)
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n/an/a 67n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)		BDBM50347796
PNG
(CHEMBL1802963)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C12H9BrN4/c13-9-3-1-2-7-8(6-16-11(7)9)10-4-5-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
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n/an/a 68n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50185004
PNG
(CHEMBL3823532)
Show SMILES Nc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
Show InChI InChI=1S/C11H7N5O2/c12-11-14-5-7-3-6-4-13-2-1-8(6)10(16(17)18)9(7)15-11/h1-5H,(H2,12,14,15)
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n/an/a 69n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


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

Eur J Med Chem 118: 170-7 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.004
BindingDB Entry DOI: 10.7270/Q29888XM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50055958
PNG
(CHEMBL3326555)
Show SMILES [O-][N+](=O)c1cc2[nH]ncc2c2c1ncc1ccccc21
Show InChI InChI=1S/C14H8N4O2/c19-18(20)12-5-11-10(7-16-17-11)13-9-4-2-1-3-8(9)6-15-14(12)13/h1-7H,(H,16,17)
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n/an/a 70n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of full-length human PIM1 using RSRHSSYPAGT as substrate assessed as residual kinase activity after 30 mins in presence of [gamma-33P]ATP

Bioorg Med Chem 22: 4704-10 (2014)


Article DOI: 10.1016/j.bmc.2014.07.011
BindingDB Entry DOI: 10.7270/Q2MS3VD0
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50347806
PNG
(CHEMBL1802401)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H9N5O2/c13-12-14-5-4-9(16-12)8-6-15-11-7(8)2-1-3-10(11)17(18)19/h1-6,15H,(H2,13,14,16)
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n/an/a 70n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50347799
PNG
(CHEMBL1802409)
Show SMILES Nc1ccc2c(c[nH]c2c1)-c1nc(N)ncc1I
Show InChI InChI=1S/C12H10IN5/c13-9-5-17-12(15)18-11(9)8-4-16-10-3-6(14)1-2-7(8)10/h1-5,16H,14H2,(H2,15,17,18)
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n/an/a 80n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)		BDBM50347806
PNG
(CHEMBL1802401)
Show SMILES Nc1nccc(n1)-c1c[nH]c2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H9N5O2/c13-12-14-5-4-9(16-12)8-6-15-11-7(8)2-1-3-10(11)17(18)19/h1-6,15H,(H2,13,14,16)
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n/an/a 85n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)		BDBM50509920
PNG
(CHEMBL4558273)
Show SMILES CN(C)CNc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
Show InChI InChI=1S/C14H14N6O2/c1-19(2)8-17-14-16-7-10-5-9-6-15-4-3-11(9)13(20(21)22)12(10)18-14/h3-7H,8H2,1-2H3,(H,16,17,18)
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n/an/a 87n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse CLK1 expressed in bacteria using GRSRSRSRSRSR as substrate in presence of [gamma33P]ATP

Bioorg Med Chem 27: 2083-2089 (2019)


Article DOI: 10.1016/j.bmc.2019.04.005
BindingDB Entry DOI: 10.7270/Q25H7KKN
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50347814
PNG
(CHEMBL1802391)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2c(Br)cccc12
Show InChI InChI=1S/C20H16BrN5O/c1-11(27)25-13-7-5-12(6-8-13)15-9-24-20(22)26-18(15)16-10-23-19-14(16)3-2-4-17(19)21/h2-10,23H,1H3,(H,25,27)(H2,22,24,26)
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n/an/a 87n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50326437
PNG
(8-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carb...)
Show SMILES Brc1ccc2c(c1)[nH]c1c2ccc2c(C=O)c[nH]c12
Show InChI InChI=1S/C15H9BrN2O/c16-9-1-2-11-12-4-3-10-8(7-19)6-17-14(10)15(12)18-13(11)5-9/h1-7,17-18H
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n/an/a 90n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins

Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50436569
PNG
(CHEMBL2397600)
Show SMILES [O-][N+](=O)c1cc2c[nH]nc2c2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C13H7ClN4O2/c14-7-1-2-9-8(4-7)11-12-6(5-15-17-12)3-10(18(19)20)13(11)16-9/h1-5,16H,(H,15,17)
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n/an/a 90n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using RSRHSSYPAGT as substrate after 30 mins

Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)		BDBM50347803
PNG
(CHEMBL1802404)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C12H8IN5O2/c13-9-5-16-12(14)17-11(9)8-4-15-10-3-6(18(19)20)1-2-7(8)10/h1-5,15H,(H2,14,16,17)
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n/an/a 95n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50436564
PNG
(CHEMBL2397523)
Show SMILES [O-][N+](=O)c1cc2n[nH]cc2c2c1[nH]c1ccccc21
Show InChI InChI=1S/C13H8N4O2/c18-17(19)11-5-10-8(6-14-16-10)12-7-3-1-2-4-9(7)15-13(11)12/h1-6,15H,(H,14,16)
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n/an/a 100n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using RSRHSSYPAGT as substrate after 30 mins

Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)		BDBM50347798
PNG
(CHEMBL1802410)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2c(N)cccc12
Show InChI InChI=1S/C12H10IN5/c13-8-5-17-12(15)18-10(8)7-4-16-11-6(7)2-1-3-9(11)14/h1-5,16H,14H2,(H2,15,17,18)
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n/an/a 110n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50436565
PNG
(CHEMBL2397599)
Show SMILES COc1ccc2[nH]c3c(cc4c[nH]nc4c3c2c1)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c1-21-8-2-3-10-9(5-8)12-13-7(6-15-17-13)4-11(18(19)20)14(12)16-10/h2-6,16H,1H3,(H,15,17)
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n/an/a 110n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using RSRHSSYPAGT as substrate after 30 mins

Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50436561
PNG
(CHEMBL2397528)
Show SMILES Nc1cc2n[nH]cc2c2c3cc(Cl)ccc3[nH]c12
Show InChI InChI=1S/C13H9ClN4/c14-6-1-2-10-7(3-6)12-8-5-16-18-11(8)4-9(15)13(12)17-10/h1-5,17H,15H2,(H,16,18)
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n/an/a 110n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using RSRHSSYPAGT as substrate after 30 mins

Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50436563
PNG
(CHEMBL2397524)
Show SMILES COc1ccc2[nH]c3c(cc4n[nH]cc4c3c2c1)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c1-21-7-2-3-10-8(4-7)13-9-6-15-17-11(9)5-12(18(19)20)14(13)16-10/h2-6,16H,1H3,(H,15,17)
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n/an/a 110n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human PIM3 using RSRHSSYPAGT as substrate after 30 mins

Bioorg Med Chem 21: 4102-11 (2013)


Article DOI: 10.1016/j.bmc.2013.05.011
BindingDB Entry DOI: 10.7270/Q2F76DZV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50326442
PNG
(8-Methyl-1,10-dihydropyrrolo[2,3-a]carbazole-3-car...)
Show SMILES Cc1ccc2c(c1)[nH]c1c2ccc2c(C=O)c[nH]c12
Show InChI InChI=1S/C16H12N2O/c1-9-2-3-12-13-5-4-11-10(8-19)7-17-15(11)16(13)18-14(12)6-9/h2-8,17-18H,1H3
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n/an/a 117n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins

Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50432946
PNG
(CHEMBL2377711)
Show SMILES CCc1[nH]c2c(cc3cn[nH]c3c2c1-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O2/c1-2-12-14(10-6-4-3-5-7-10)15-16-11(9-18-20-16)8-13(21(22)23)17(15)19-12/h3-9,19H,2H2,1H3,(H,18,20)
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n/an/a 119n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of human full length Pim-3 using RSRHSSYPAGT as substrate assessed as residual activity after 30 mins in presence of [gamma-33P]ATP

Bioorg Med Chem Lett 23: 2298-301 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.074
BindingDB Entry DOI: 10.7270/Q26111PK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50055959
PNG
(CHEMBL3326556)
Show SMILES COc1ccc2c(cnc3c(cc4[nH]ncc4c23)[N+]([O-])=O)c1
Show InChI InChI=1S/C15H10N4O3/c1-22-9-2-3-10-8(4-9)6-16-15-13(19(20)21)5-12-11(14(10)15)7-17-18-12/h2-7H,1H3,(H,17,18)
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n/an/a 120n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of full-length human PIM1 using RSRHSSYPAGT as substrate assessed as residual kinase activity after 30 mins in presence of [gamma-33P]ATP

Bioorg Med Chem 22: 4704-10 (2014)


Article DOI: 10.1016/j.bmc.2014.07.011
BindingDB Entry DOI: 10.7270/Q2MS3VD0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50299249
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde...)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
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n/an/a 120n/an/an/an/an/an/a



Clermont Université

Curated by ChEMBL


Assay Description
Inhibition of human GST fused Pim1 expressed in Escherichia coli after 30 mins

Bioorg Med Chem 18: 6865-73 (2010)


Article DOI: 10.1016/j.bmc.2010.07.036
BindingDB Entry DOI: 10.7270/Q2PK0GBZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50299249
PNG
(1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde...)
Show SMILES O=Cc1c[nH]c2c1ccc1c3ccccc3[nH]c21
Show InChI InChI=1S/C15H10N2O/c18-8-9-7-16-14-10(9)5-6-12-11-3-1-2-4-13(11)17-15(12)14/h1-8,16-17H
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Pim1 using RSRHSSYPAGT as substrate

Eur J Med Chem 56: 225-236 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.029
BindingDB Entry DOI: 10.7270/Q2XK8GTF
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))		BDBM50347804
PNG
(CHEMBL1802403)
Show SMILES Nc1ncc(I)c(n1)-c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C12H8IN5O2/c13-9-5-16-12(14)17-11(9)8-4-15-10-2-1-6(18(19)20)3-7(8)10/h1-5,15H,(H2,14,16,17)
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n/an/a 120n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate

J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
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