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Compile Data Set for Download or QSAR

Found 167 hits with Last Name = 'le guevel' and Initial = 'r'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
p110α/p85α


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 8n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 5 (CDK5)


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50161338
PNG
(CHEMBL3787480)
Show SMILES Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
Show InChI InChI=1S/C17H15N3O2/c1-9-2-3-10-7-13-15(12(10)6-9)19-17(18)20-16(13)14-5-4-11(8-21)22-14/h2-6,21H,7-8H2,1H3,(H2,18,19,20)
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n/an/a 40n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Bioorg Med Chem Lett 24: 5037-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.017
BindingDB Entry DOI: 10.7270/Q27H1M51
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 5 (CDK5)


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391185
PNG
(CHEMBL2088663)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)C#N)c3ccc(Br)cc3c12
Show InChI InChI=1S/C19H13BrN4O/c1-11-17-15-8-14(20)5-6-16(15)24(18(17)19(25)23-22-11)10-13-4-2-3-12(7-13)9-21/h2-8H,10H2,1H3,(H,23,25)
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Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


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

Curated by ChEMBL


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


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


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


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 150n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 5 (CDK5)


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

Curated by ChEMBL


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


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


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


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50028097
PNG
(CHEMBL3338888)
Show SMILES COc1ccc2[nH]c3c(c(n[nH]c3=O)-c3ccco3)c2c1
Show InChI InChI=1S/C15H11N3O3/c1-20-8-4-5-10-9(7-8)12-13(11-3-2-6-21-11)17-18-15(19)14(12)16-10/h2-7,16H,1H3,(H,18,19)
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n/an/a 220n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Bioorg Med Chem Lett 24: 5037-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.017
BindingDB Entry DOI: 10.7270/Q27H1M51
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50391185
PNG
(CHEMBL2088663)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)C#N)c3ccc(Br)cc3c12
Show InChI InChI=1S/C19H13BrN4O/c1-11-17-15-8-14(20)5-6-16(15)24(18(17)19(25)23-22-11)10-13-4-2-3-12(7-13)9-21/h2-8H,10H2,1H3,(H,23,25)
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n/an/a 295n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50028088
PNG
(CHEMBL3338893)
Show SMILES COc1ccc(Nc2cc(n[nH]c2=O)-c2ccncc2)cc1
Show InChI InChI=1S/C16H14N4O2/c1-22-13-4-2-12(3-5-13)18-15-10-14(19-20-16(15)21)11-6-8-17-9-7-11/h2-10H,1H3,(H,18,19)(H,20,21)
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n/an/a 610n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Bioorg Med Chem Lett 24: 5037-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.017
BindingDB Entry DOI: 10.7270/Q27H1M51
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391187
PNG
(CHEMBL2088665)
Show SMILES COc1cccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)c1
Show InChI InChI=1S/C19H16BrN3O2/c1-11-17-15-9-13(20)6-7-16(15)23(18(17)19(24)22-21-11)10-12-4-3-5-14(8-12)25-2/h3-9H,10H2,1-2H3,(H,22,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391186
PNG
(CHEMBL2088664)
Show SMILES COc1ccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)cc1
Show InChI InChI=1S/C19H16BrN3O2/c1-11-17-15-9-13(20)5-8-16(15)23(18(17)19(24)22-21-11)10-12-3-6-14(25-2)7-4-12/h3-9H,10H2,1-2H3,(H,22,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50028101
PNG
(CHEMBL3338886)
Show SMILES COc1ccc(cc1)-c1n[nH]c(=O)c2[nH]c3ccc(OC)cc3c12
Show InChI InChI=1S/C18H15N3O3/c1-23-11-5-3-10(4-6-11)16-15-13-9-12(24-2)7-8-14(13)19-17(15)18(22)21-20-16/h3-9,19H,1-2H3,(H,21,22)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Bioorg Med Chem Lett 24: 5037-40 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.017
BindingDB Entry DOI: 10.7270/Q27H1M51
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391195
PNG
(CHEMBL2088673)
Show SMILES COc1ccc2n(Cc3cccc(c3)[N+]([O-])=O)c3c(c(C)n[nH]c3=O)c2c1
Show InChI InChI=1S/C19H16N4O4/c1-11-17-15-9-14(27-2)6-7-16(15)22(18(17)19(24)21-20-11)10-12-4-3-5-13(8-12)23(25)26/h3-9H,10H2,1-2H3,(H,21,24)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391184
PNG
(CHEMBL2088662)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)C#N)c3ccc(Br)cc3c12
Show InChI InChI=1S/C19H13BrN4O/c1-11-17-15-8-14(20)6-7-16(15)24(18(17)19(25)23-22-11)10-13-4-2-12(9-21)3-5-13/h2-8H,10H2,1H3,(H,23,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50391187
PNG
(CHEMBL2088665)
Show SMILES COc1cccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)c1
Show InChI InChI=1S/C19H16BrN3O2/c1-11-17-15-9-13(20)6-7-16(15)23(18(17)19(24)22-21-11)10-12-4-3-5-14(8-12)25-2/h3-9H,10H2,1-2H3,(H,22,24)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391194
PNG
(CHEMBL2088672)
Show SMILES COc1ccc2n(Cc3ccc(cc3)[N+]([O-])=O)c3c(c(C)n[nH]c3=O)c2c1
Show InChI InChI=1S/C19H16N4O4/c1-11-17-15-9-14(27-2)7-8-16(15)22(18(17)19(24)21-20-11)10-12-3-5-13(6-4-12)23(25)26/h3-9H,10H2,1-2H3,(H,21,24)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391196
PNG
(CHEMBL2088674)
Show SMILES COc1ccc2n(Cc3ccc(cc3)C#N)c3c(c(C)n[nH]c3=O)c2c1
Show InChI InChI=1S/C20H16N4O2/c1-12-18-16-9-15(26-2)7-8-17(16)24(19(18)20(25)23-22-12)11-14-5-3-13(10-21)4-6-14/h3-9H,11H2,1-2H3,(H,23,25)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


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



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391197
PNG
(CHEMBL2088675)
Show SMILES COc1ccc2n(Cc3cccc(c3)C#N)c3c(c(C)n[nH]c3=O)c2c1
Show InChI InChI=1S/C20H16N4O2/c1-12-18-16-9-15(26-2)6-7-17(16)24(19(18)20(25)23-22-12)11-14-5-3-4-13(8-14)10-21/h3-9H,11H2,1-2H3,(H,23,25)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50161346
PNG
(CHEMBL3786430)
Show SMILES O=C(Nc1cc(CN2CCCCC2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1S/C21H14BrN3O/c22-18-9-8-17(26-18)20-16-11-14-7-6-13(12-4-2-1-3-5-12)10-15(14)19(16)24-21(23)25-20/h1-10H,11H2,(H2,23,24,25)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50161335
PNG
(CHEMBL3785571)
Show SMILES Cc1cccnc1NC(=O)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1/C19H20N4O2/c1-12-6-5-10-20-17(12)22-19(25)21-14-8-4-7-13-16(14)15-9-2-3-11-23(15)18(13)24/h4-8,10,15H,2-3,9,11H2,1H3,(H2,20,21,22,25)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50391200
PNG
(CHEMBL2088661)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)[N+]([O-])=O)c3ccc(Br)cc3c12
Show InChI InChI=1S/C18H13BrN4O3/c1-10-16-14-8-12(19)5-6-15(14)22(17(16)18(24)21-20-10)9-11-3-2-4-13(7-11)23(25)26/h2-8H,9H2,1H3,(H,21,24)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391192
PNG
(CHEMBL2088670)
Show SMILES COc1ccc(Cn2c3ccc(F)cc3c3c(C)n[nH]c(=O)c23)cc1
Show InChI InChI=1S/C19H16FN3O2/c1-11-17-15-9-13(20)5-8-16(15)23(18(17)19(24)22-21-11)10-12-3-6-14(25-2)7-4-12/h3-9H,10H2,1-2H3,(H,22,24)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50161360
PNG
(CHEMBL3785771)
Show SMILES Cc1nccnc1NC(=O)Nc1cccc2C(=O)N3CCCCC3c12
Show InChI InChI=1/C18H19N5O2/c1-11-16(20-9-8-19-11)22-18(25)21-13-6-4-5-12-15(13)14-7-2-3-10-23(14)17(12)24/h4-6,8-9,14H,2-3,7,10H2,1H3,(H2,20,21,22,25)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50161339
PNG
(CHEMBL3787512)
Show SMILES OCc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
Show InChI InChI=1S/C15H9BrClN3O/c16-12-4-3-11(21-12)14-10-5-7-1-2-8(17)6-9(7)13(10)19-15(18)20-14/h1-4,6H,5H2,(H2,18,19,20)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


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


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


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