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Compile Data Set for Download or QSAR

Found 254 hits with Last Name = 'giraud' and Initial = 'f'   
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 haspin


(Homo sapiens (Human))		BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))		BDBM50605473
PNG
(CHEMBL5186093)
Show SMILES Nc1ccc2cc3cnccc3c([N+]([O-])=O)c2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)		BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50129948
PNG
(CHEMBL3627997)
Show SMILES O=Cc1cn2CCCCCn3c4ccccc4c4ccc1c2c34
Show InChI InChI=1S/C20H18N2O/c23-13-14-12-21-10-4-1-5-11-22-18-7-3-2-6-16(18)17-9-8-15(14)19(21)20(17)22/h2-3,6-9,12-13H,1,4-5,10-11H2
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Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of Pim-1 (unknown origin)

Bioorg Med Chem 23: 7313-23 (2015)


Article DOI: 10.1016/j.bmc.2015.10.031
BindingDB Entry DOI: 10.7270/Q23F4RHC
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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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 haspin


(Homo sapiens (Human))		BDBM50605464
PNG
(CHEMBL5188318)
Show SMILES CSc1ncc2cc3cnccc3c(N)c2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)		BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)		BDBM50148458
PNG
(CHEMBL4778413)
Show SMILES CNc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
Show InChI InChI=1S/C18H18N2O4S/c1-19-17(21)15-8-11-16(25-15)12(9-20(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H,19,21)
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TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl

Citation and Details

Article DOI: 10.1016/j.ejmech.2019.01.052
BindingDB Entry DOI: 10.7270/Q2BZ69NW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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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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
Dual specificity protein kinase CLK1


(Mus musculus)		BDBM50605473
PNG
(CHEMBL5186093)
Show SMILES Nc1ccc2cc3cnccc3c([N+]([O-])=O)c2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
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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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128914
BindingDB Entry DOI: 10.7270/Q20K2DHX
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)		BDBM50249773
PNG
(CHEMBL4763099)
Show SMILES CN1CCN(CCCNc2ncc3cc4cnccc4c(N)c3n2)CC1
Show InChI InChI=1S/C13H16N2O3S/c1-9(2)19(17,18)14-11-5-6-12-10(8-11)4-7-13(16)15(12)3/h4-9,14H,1-3H3
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TBA

Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2019.01.052
BindingDB Entry DOI: 10.7270/Q2BZ69NW
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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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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)		BDBM50249769
PNG
(CHEMBL4748345)
Show SMILES Nc1c2ccncc2cc2cnc(NCCCN3CCOCC3)nc12
Show InChI InChI=1S/C16H14N2O3S/c1-18-15-9-8-14(11-12(15)7-10-16(18)19)22(20,21)17-13-5-3-2-4-6-13/h2-11,17H,1H3
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TBA

Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2019.01.052
BindingDB Entry DOI: 10.7270/Q2BZ69NW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50129948
PNG
(CHEMBL3627997)
Show SMILES O=Cc1cn2CCCCCn3c4ccccc4c4ccc1c2c34
Show InChI InChI=1S/C20H18N2O/c23-13-14-12-21-10-4-1-5-11-22-18-7-3-2-6-16(18)17-9-8-15(14)19(21)20(17)22/h2-3,6-9,12-13H,1,4-5,10-11H2
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Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of Pim-3 (unknown origin)

Bioorg Med Chem 23: 7313-23 (2015)


Article DOI: 10.1016/j.bmc.2015.10.031
BindingDB Entry DOI: 10.7270/Q23F4RHC
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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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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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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
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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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))		BDBM50589508
PNG
(CHEMBL5201872)
Show SMILES [O-][N+](=O)c1cc2[nH]nc(C=C)c2c2c3ccccc3cnc12
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128914
BindingDB Entry DOI: 10.7270/Q20K2DHX
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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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)		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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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)		BDBM50605464
PNG
(CHEMBL5188318)
Show SMILES CSc1ncc2cc3cnccc3c(N)c2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
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
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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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)
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))		BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
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-1


(Homo sapiens (Human))		BDBM50129947
PNG
(CHEMBL3627996)
Show SMILES O=Cc1cn2CCCn3c4ccccc4c4ccc1c2c34
Show InChI InChI=1S/C18H14N2O/c21-11-12-10-19-8-3-9-20-16-5-2-1-4-14(16)15-7-6-13(12)17(19)18(15)20/h1-2,4-7,10-11H,3,8-9H2
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n/an/a 42n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of Pim-1 (unknown origin)

Bioorg Med Chem 23: 7313-23 (2015)


Article DOI: 10.1016/j.bmc.2015.10.031
BindingDB Entry DOI: 10.7270/Q23F4RHC
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)		BDBM50605464
PNG
(CHEMBL5188318)
Show SMILES CSc1ncc2cc3cnccc3c(N)c2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))		BDBM50129947
PNG
(CHEMBL3627996)
Show SMILES O=Cc1cn2CCCn3c4ccccc4c4ccc1c2c34
Show InChI InChI=1S/C18H14N2O/c21-11-12-10-19-8-3-9-20-16-5-2-1-4-14(16)15-7-6-13(12)17(19)18(15)20/h1-2,4-7,10-11H,3,8-9H2
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Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of Pim-3 (unknown origin)

Bioorg Med Chem 23: 7313-23 (2015)


Article DOI: 10.1016/j.bmc.2015.10.031
BindingDB Entry DOI: 10.7270/Q23F4RHC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))		BDBM50605471
PNG
(CHEMBL5181620)
Show SMILES COc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))		BDBM50589507
PNG
(CHEMBL5169917)
Show SMILES [O-][N+](=O)c1cc2[nH]nc(I)c2c2c1ncc1ccccc21
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128914
BindingDB Entry DOI: 10.7270/Q20K2DHX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))		BDBM50605467
PNG
(CHEMBL5177344)
Show SMILES CC(C)Sc1ncc2cc3cnccc3c(N)c2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)		BDBM50148388
PNG
(CHEMBL4784564)
Show SMILES CN(C)CCNc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
Show InChI InChI=1S/C18H19N3O3S/c1-20-17(19)15-8-11-16(25-15)12(9-21(2)18(11)22)10-5-6-13(23-3)14(7-10)24-4/h5-9H,1-4H3,(H2,19,20)
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TBA

Assay Description
Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl

Citation and Details

Article DOI: 10.1016/j.ejmech.2019.01.052
BindingDB Entry DOI: 10.7270/Q2BZ69NW
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
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))		BDBM50605466
PNG
(CHEMBL5194011)
Show SMILES CCCSc1ncc2cc3cnccc3c(N)c2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))		BDBM50605471
PNG
(CHEMBL5181620)
Show SMILES COc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
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
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 haspin


(Homo sapiens (Human))		BDBM50605468
PNG
(CHEMBL5186471)
Show SMILES CCCCSc1ncc2cc3cnccc3c(N)c2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
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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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))		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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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128914
BindingDB Entry DOI: 10.7270/Q20K2DHX
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)		BDBM50605467
PNG
(CHEMBL5177344)
Show SMILES CC(C)Sc1ncc2cc3cnccc3c(N)c2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
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)		BDBM50249763
PNG
(CHEMBL4794934)
Show SMILES CCN(CC)CCCNc1ncc2cc3cnccc3c(N)c2n1
Show InChI InChI=1S/C17H13N3O3S/c1-20-16-8-7-15(10-13(16)4-9-17(20)21)24(22,23)19-14-5-2-12(11-18)3-6-14/h2-10,19H,1H3
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n/an/a 80n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to partial length human BRD9 by BROMOscan assay

Citation and Details

Article DOI: 10.1016/j.ejmech.2019.01.052
BindingDB Entry DOI: 10.7270/Q2BZ69NW
More data for this
Ligand-Target Pair
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