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Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'testard' and Initial = 'a'   
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
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50247418
PNG
(8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quina...)
Show SMILES CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)OCc1ccccc1
Show InChI InChI=1S/C20H18N4O2S/c1-12(2)24-11-22-14-8-9-15-17(16(14)20(24)25)27-19(23-15)18(21)26-10-13-6-4-3-5-7-13/h3-9,11-12,21H,10H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha/beta (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50247418
PNG
(8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quina...)
Show SMILES CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)OCc1ccccc1
Show InChI InChI=1S/C20H18N4O2S/c1-12(2)24-11-22-14-8-9-15-17(16(14)20(24)25)27-19(23-15)18(21)26-10-13-6-4-3-5-7-13/h3-9,11-12,21H,10H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50247418
PNG
(8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quina...)
Show SMILES CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)OCc1ccccc1
Show InChI InChI=1S/C20H18N4O2S/c1-12(2)24-11-22-14-8-9-15-17(16(14)20(24)25)27-19(23-15)18(21)26-10-13-6-4-3-5-7-13/h3-9,11-12,21H,10H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50247392
PNG
(8-Ethyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoli...)
Show SMILES CCCCOC(=N)c1nc2ccc3ncn(CC)c(=O)c3c2s1
Show InChI InChI=1S/C16H18N4O2S/c1-3-5-8-22-14(17)15-19-11-7-6-10-12(13(11)23-15)16(21)20(4-2)9-18-10/h6-7,9,17H,3-5,8H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha/beta (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50247395
PNG
(8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quina...)
Show SMILES CCOC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
Show InChI InChI=1S/C15H16N4O2S/c1-4-21-13(16)14-18-10-6-5-9-11(12(10)22-14)15(20)19(7-17-9)8(2)3/h5-8,16H,4H2,1-3H3
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n/an/a 150n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha/beta (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(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 160n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50247393
PNG
(8-Ethyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoli...)
Show SMILES CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OCc1ccccc1
Show InChI InChI=1S/C19H16N4O2S/c1-2-23-11-21-13-8-9-14-16(15(13)19(23)24)26-18(22-14)17(20)25-10-12-6-4-3-5-7-12/h3-9,11,20H,2,10H2,1H3
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n/an/a 170n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha/beta (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50247396
PNG
(8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quina...)
Show SMILES CC(C)OC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
Show InChI InChI=1S/C16H18N4O2S/c1-8(2)20-7-18-10-5-6-11-13(12(10)16(20)21)23-15(19-11)14(17)22-9(3)4/h5-9,17H,1-4H3
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n/an/a 260n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha/beta (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50247417
PNG
(8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quina...)
Show SMILES CCCCOC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
Show InChI InChI=1S/C17H20N4O2S/c1-4-5-8-23-15(18)16-20-12-7-6-11-13(14(12)24-16)17(22)21(9-19-11)10(2)3/h6-7,9-10,18H,4-5,8H2,1-3H3
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n/an/a 280n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha/beta (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50247394
PNG
(8-Ethyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoli...)
Show SMILES CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OCCc1ccccc1
Show InChI InChI=1S/C20H18N4O2S/c1-2-24-12-22-14-8-9-15-17(16(14)20(24)25)27-19(23-15)18(21)26-11-10-13-6-4-3-5-7-13/h3-9,12,21H,2,10-11H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha/beta (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(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 450n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50247431
PNG
(CHEMBL461739 | N-Benzyl-8-isopopyl-9-oxo-8,9-dihyd...)
Show SMILES CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1
Show InChI InChI=1S/C20H19N5OS/c1-12(2)25-11-23-14-8-9-15-17(16(14)20(25)26)27-19(24-15)18(21)22-10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H2,21,22)
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n/an/a 520n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha/beta (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50186073
PNG
(CHEMBL210229 | N-(2-(dimethylamino)ethyl)-8-isopro...)
Show SMILES CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCCN(C)C
Show InChI InChI=1S/C17H22N6OS/c1-10(2)23-9-20-11-5-6-12-14(13(11)17(23)24)25-16(21-12)15(18)19-7-8-22(3)4/h5-6,9-10H,7-8H2,1-4H3,(H2,18,19)
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n/an/a 560n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha/beta (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50247391
PNG
(8-Ethyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoli...)
Show SMILES CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OC(C)C
Show InChI InChI=1S/C15H16N4O2S/c1-4-19-7-17-9-5-6-10-12(11(9)15(19)20)22-14(18-10)13(16)21-8(2)3/h5-8,16H,4H2,1-3H3
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n/an/a 640n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha/beta (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50247393
PNG
(8-Ethyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoli...)
Show SMILES CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OCc1ccccc1
Show InChI InChI=1S/C19H16N4O2S/c1-2-23-11-21-13-8-9-14-16(15(13)19(23)24)26-18(22-14)17(20)25-10-12-6-4-3-5-7-12/h3-9,11,20H,2,10H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50186084
PNG
(CHEMBL210474 | N-(2-(dimethylamino)ethyl)-8-ethyl-...)
Show SMILES CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)NCCN(C)C
Show InChI InChI=1S/C16H20N6OS/c1-4-22-9-19-10-5-6-11-13(12(10)16(22)23)24-15(20-11)14(17)18-7-8-21(2)3/h5-6,9H,4,7-8H2,1-3H3,(H2,17,18)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha/beta (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50247394
PNG
(8-Ethyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoli...)
Show SMILES CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OCCc1ccccc1
Show InChI InChI=1S/C20H18N4O2S/c1-2-24-12-22-14-8-9-15-17(16(14)20(24)25)27-19(23-15)18(21)26-11-10-13-6-4-3-5-7-13/h3-9,12,21H,2,10-11H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50247392
PNG
(8-Ethyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoli...)
Show SMILES CCCCOC(=N)c1nc2ccc3ncn(CC)c(=O)c3c2s1
Show InChI InChI=1S/C16H18N4O2S/c1-3-5-8-22-14(17)15-19-11-7-6-10-12(13(11)23-15)16(21)20(4-2)9-18-10/h6-7,9,17H,3-5,8H2,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50247372
PNG
(8-Ethyl-9-oxo-8,9-dihydro-6-thiazolo[5,4-f]quinazo...)
Show SMILES CCOC(=N)c1nc2ccc3ncn(CC)c(=O)c3c2s1
Show InChI InChI=1S/C14H14N4O2S/c1-3-18-7-16-8-5-6-9-11(10(8)14(18)19)21-13(17-9)12(15)20-4-2/h5-7,15H,3-4H2,1-2H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha/beta (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50247417
PNG
(8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quina...)
Show SMILES CCCCOC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
Show InChI InChI=1S/C17H20N4O2S/c1-4-5-8-23-15(18)16-20-12-7-6-11-13(14(12)24-16)17(22)21(9-19-11)10(2)3/h6-7,9-10,18H,4-5,8H2,1-3H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50247419
PNG
(CHEMBL454130 | N-Benzyl-8-ethyl-9-oxo-8,9-dihydrot...)
Show SMILES CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1
Show InChI InChI=1S/C19H17N5OS/c1-2-24-11-22-13-8-9-14-16(15(13)19(24)25)26-18(23-14)17(20)21-10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H2,20,21)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha/beta (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50186073
PNG
(CHEMBL210229 | N-(2-(dimethylamino)ethyl)-8-isopro...)
Show SMILES CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCCN(C)C
Show InChI InChI=1S/C17H22N6OS/c1-10(2)23-9-20-11-5-6-12-14(13(11)17(23)24)25-16(21-12)15(18)19-7-8-22(3)4/h5-6,9-10H,7-8H2,1-4H3,(H2,18,19)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50247394
PNG
(8-Ethyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoli...)
Show SMILES CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OCCc1ccccc1
Show InChI InChI=1S/C20H18N4O2S/c1-2-24-12-22-14-8-9-15-17(16(14)20(24)25)27-19(23-15)18(21)26-11-10-13-6-4-3-5-7-13/h3-9,12,21H,2,10-11H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50186073
PNG
(CHEMBL210229 | N-(2-(dimethylamino)ethyl)-8-isopro...)
Show SMILES CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCCN(C)C
Show InChI InChI=1S/C17H22N6OS/c1-10(2)23-9-20-11-5-6-12-14(13(11)17(23)24)25-16(21-12)15(18)19-7-8-22(3)4/h5-6,9-10H,7-8H2,1-4H3,(H2,18,19)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Université de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 in presence of 15 uM ATP


Bioorg Med Chem Lett 16: 3419-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.006
BindingDB Entry DOI: 10.7270/Q29W0F33
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50247391
PNG
(8-Ethyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoli...)
Show SMILES CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OC(C)C
Show InChI InChI=1S/C15H16N4O2S/c1-4-19-7-17-9-5-6-10-12(11(9)15(19)20)22-14(18-10)13(16)21-8(2)3/h5-8,16H,4H2,1-3H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50247396
PNG
(8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quina...)
Show SMILES CC(C)OC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
Show InChI InChI=1S/C16H18N4O2S/c1-8(2)20-7-18-10-5-6-11-13(12(10)16(20)21)23-15(19-11)14(17)22-9(3)4/h5-9,17H,1-4H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50186082
PNG
(8-ethyl-N-isopropyl-9-oxo-8,9-dihydrothiazolo[5,4-...)
Show SMILES CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)NC(C)C
Show InChI InChI=1S/C15H17N5OS/c1-4-20-7-17-9-5-6-10-12(11(9)15(20)21)22-14(19-10)13(16)18-8(2)3/h5-8H,4H2,1-3H3,(H2,16,18)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha/beta (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50247431
PNG
(CHEMBL461739 | N-Benzyl-8-isopopyl-9-oxo-8,9-dihyd...)
Show SMILES CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1
Show InChI InChI=1S/C20H19N5OS/c1-12(2)25-11-23-14-8-9-15-17(16(14)20(25)26)27-19(24-15)18(21)22-10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H2,21,22)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50247431
PNG
(CHEMBL461739 | N-Benzyl-8-isopopyl-9-oxo-8,9-dihyd...)
Show SMILES CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1
Show InChI InChI=1S/C20H19N5OS/c1-12(2)25-11-23-14-8-9-15-17(16(14)20(25)26)27-19(24-15)18(21)22-10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H2,21,22)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50186072
PNG
(CHEMBL378190 | N,8-diisopropyl-9-oxo-8,9-dihydroth...)
Show SMILES CC(C)NC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
Show InChI InChI=1S/C16H19N5OS/c1-8(2)19-14(17)15-20-11-6-5-10-12(13(11)23-15)16(22)21(7-18-10)9(3)4/h5-9H,1-4H3,(H2,17,19)
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n/an/a 9.40E+3n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha/beta (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50186069
PNG
(8-(4-methoxybenzyl)-2-(4,5-dihydro-1H-imidazol-2-y...)
Show SMILES COc1ccc(Cn2cnc3ccc4nc(sc4c3c2=O)C2=NCCN2)cc1 |t:24|
Show InChI InChI=1S/C20H17N5O2S/c1-27-13-4-2-12(3-5-13)10-25-11-23-14-6-7-15-17(16(14)20(25)26)28-19(24-15)18-21-8-9-22-18/h2-7,11H,8-10H2,1H3,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB in presence of 15 uM ATP


Bioorg Med Chem Lett 16: 3419-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.006
BindingDB Entry DOI: 10.7270/Q29W0F33
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50186073
PNG
(CHEMBL210229 | N-(2-(dimethylamino)ethyl)-8-isopro...)
Show SMILES CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCCN(C)C
Show InChI InChI=1S/C17H22N6OS/c1-10(2)23-9-20-11-5-6-12-14(13(11)17(23)24)25-16(21-12)15(18)19-7-8-22(3)4/h5-6,9-10H,7-8H2,1-4H3,(H2,18,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Université de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB in presence of 15 uM ATP


Bioorg Med Chem Lett 16: 3419-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.006
BindingDB Entry DOI: 10.7270/Q29W0F33
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50186075
PNG
(8-benzyl-8,9-dihydrothiazolo[5,4-f]quinazoline-2-c...)
Show SMILES N#Cc1nc2ccc3N=CN(Cc4ccccc4)Cc3c2s1 |c:8|
Show InChI InChI=1S/C17H12N4S/c18-8-16-20-15-7-6-14-13(17(15)22-16)10-21(11-19-14)9-12-4-2-1-3-5-12/h1-7,11H,9-10H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 in presence of 15 uM ATP


Bioorg Med Chem Lett 16: 3419-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.006
BindingDB Entry DOI: 10.7270/Q29W0F33
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50186076
PNG
(2-(4,5-dihydro-1H-imidazol-2-yl)-8-isopentylthiazo...)
Show SMILES CC(C)CCn1cnc2ccc3nc(sc3c2c1=O)C1=NCCN1 |t:22|
Show InChI InChI=1S/C17H19N5OS/c1-10(2)5-8-22-9-20-11-3-4-12-14(13(11)17(22)23)24-16(21-12)15-18-6-7-19-15/h3-4,9-10H,5-8H2,1-2H3,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB in presence of 15 uM ATP


Bioorg Med Chem Lett 16: 3419-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.006
BindingDB Entry DOI: 10.7270/Q29W0F33
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50186078
PNG
(8-isopropyl-8,9-dihydrothiazolo[5,4-f]quinazoline-...)
Show SMILES CC(C)N1Cc2c(ccc3nc(sc23)C#N)N=C1 |c:18|
Show InChI InChI=1S/C13H12N4S/c1-8(2)17-6-9-10(15-7-17)3-4-11-13(9)18-12(5-14)16-11/h3-4,7-8H,6H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB in presence of 15 uM ATP


Bioorg Med Chem Lett 16: 3419-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.006
BindingDB Entry DOI: 10.7270/Q29W0F33
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50186078
PNG
(8-isopropyl-8,9-dihydrothiazolo[5,4-f]quinazoline-...)
Show SMILES CC(C)N1Cc2c(ccc3nc(sc23)C#N)N=C1 |c:18|
Show InChI InChI=1S/C13H12N4S/c1-8(2)17-6-9-10(15-7-17)3-4-11-13(9)18-12(5-14)16-11/h3-4,7-8H,6H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 in presence of 15 uM ATP


Bioorg Med Chem Lett 16: 3419-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.006
BindingDB Entry DOI: 10.7270/Q29W0F33
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50186083
PNG
(8-isobutyl-8,9-dihydrothiazolo[5,4-f]quinazoline-2...)
Show SMILES CC(C)CN1Cc2c(ccc3nc(sc23)C#N)N=C1 |c:19|
Show InChI InChI=1S/C14H14N4S/c1-9(2)6-18-7-10-11(16-8-18)3-4-12-14(10)19-13(5-15)17-12/h3-4,8-9H,6-7H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 in presence of 15 uM ATP


Bioorg Med Chem Lett 16: 3419-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.006
BindingDB Entry DOI: 10.7270/Q29W0F33
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50186076
PNG
(2-(4,5-dihydro-1H-imidazol-2-yl)-8-isopentylthiazo...)
Show SMILES CC(C)CCn1cnc2ccc3nc(sc3c2c1=O)C1=NCCN1 |t:22|
Show InChI InChI=1S/C17H19N5OS/c1-10(2)5-8-22-9-20-11-3-4-12-14(13(11)17(22)23)24-16(21-12)15-18-6-7-19-15/h3-4,9-10H,5-8H2,1-2H3,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 in presence of 15 uM ATP


Bioorg Med Chem Lett 16: 3419-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.006
BindingDB Entry DOI: 10.7270/Q29W0F33
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50186085
PNG
(8-(4-methoxybenzyl)-8,9-dihydrothiazolo[5,4-f]quin...)
Show SMILES COc1ccc(CN2Cc3c(ccc4nc(sc34)C#N)N=C2)cc1 |c:22|
Show InChI InChI=1S/C18H14N4OS/c1-23-13-4-2-12(3-5-13)9-22-10-14-15(20-11-22)6-7-16-18(14)24-17(8-19)21-16/h2-7,11H,9-10H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB in presence of 15 uM ATP


Bioorg Med Chem Lett 16: 3419-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.006
BindingDB Entry DOI: 10.7270/Q29W0F33
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50186086
PNG
(8-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)thiazolo[...)
Show SMILES O=c1n(Cc2ccccc2)cnc2ccc3nc(sc3c12)C1=NCCN1 |t:25|
Show InChI InChI=1S/C19H15N5OS/c25-19-15-13(22-11-24(19)10-12-4-2-1-3-5-12)6-7-14-16(15)26-18(23-14)17-20-8-9-21-17/h1-7,11H,8-10H2,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 in presence of 15 uM ATP


Bioorg Med Chem Lett 16: 3419-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.006
BindingDB Entry DOI: 10.7270/Q29W0F33
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50247419
PNG
(CHEMBL454130 | N-Benzyl-8-ethyl-9-oxo-8,9-dihydrot...)
Show SMILES CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1
Show InChI InChI=1S/C19H17N5OS/c1-2-24-11-22-13-8-9-14-16(15(13)19(24)25)26-18(23-14)17(20)21-10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H2,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50186073
PNG
(CHEMBL210229 | N-(2-(dimethylamino)ethyl)-8-isopro...)
Show SMILES CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCCN(C)C
Show InChI InChI=1S/C17H22N6OS/c1-10(2)23-9-20-11-5-6-12-14(13(11)17(23)24)25-16(21-12)15(18)19-7-8-22(3)4/h5-6,9-10H,7-8H2,1-4H3,(H2,18,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50186073
PNG
(CHEMBL210229 | N-(2-(dimethylamino)ethyl)-8-isopro...)
Show SMILES CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCCN(C)C
Show InChI InChI=1S/C17H22N6OS/c1-10(2)23-9-20-11-5-6-12-14(13(11)17(23)24)25-16(21-12)15(18)19-7-8-22(3)4/h5-6,9-10H,7-8H2,1-4H3,(H2,18,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50186077
PNG
(8-ethyl-8,9-dihydrothiazolo[5,4-f]quinazoline-2-ca...)
Show SMILES CCN1Cc2c(ccc3nc(sc23)C#N)N=C1 |c:17|
Show InChI InChI=1S/C12H10N4S/c1-2-16-6-8-9(14-7-16)3-4-10-12(8)17-11(5-13)15-10/h3-4,7H,2,6H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Université de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB in presence of 15 uM ATP


Bioorg Med Chem Lett 16: 3419-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.006
BindingDB Entry DOI: 10.7270/Q29W0F33
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50247395
PNG
(8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quina...)
Show SMILES CCOC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
Show InChI InChI=1S/C15H16N4O2S/c1-4-21-13(16)14-18-10-6-5-9-11(12(10)22-14)15(20)19(7-17-9)8(2)3/h5-8,16H,4H2,1-3H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50247395
PNG
(8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quina...)
Show SMILES CCOC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
Show InChI InChI=1S/C15H16N4O2S/c1-4-21-13(16)14-18-10-6-5-9-11(12(10)22-14)15(20)19(7-17-9)8(2)3/h5-8,16H,4H2,1-3H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50186084
PNG
(CHEMBL210474 | N-(2-(dimethylamino)ethyl)-8-ethyl-...)
Show SMILES CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)NCCN(C)C
Show InChI InChI=1S/C16H20N6OS/c1-4-22-9-19-10-5-6-11-13(12(10)16(22)23)24-15(20-11)14(17)18-7-8-21(2)3/h5-6,9H,4,7-8H2,1-3H3,(H2,17,18)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))
BDBM50186084
PNG
(CHEMBL210474 | N-(2-(dimethylamino)ethyl)-8-ethyl-...)
Show SMILES CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)NCCN(C)C
Show InChI InChI=1S/C16H20N6OS/c1-4-22-9-19-10-5-6-11-13(12(10)16(22)23)24-15(20-11)14(17)18-7-8-21(2)3/h5-6,9H,4,7-8H2,1-3H3,(H2,17,18)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Université de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclinB in presence of 15 uM ATP


Bioorg Med Chem Lett 16: 3419-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.006
BindingDB Entry DOI: 10.7270/Q29W0F33
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50186077
PNG
(8-ethyl-8,9-dihydrothiazolo[5,4-f]quinazoline-2-ca...)
Show SMILES CCN1Cc2c(ccc3nc(sc23)C#N)N=C1 |c:17|
Show InChI InChI=1S/C12H10N4S/c1-2-16-6-8-9(14-7-16)3-4-10-12(8)17-11(5-13)15-10/h3-4,7H,2,6H2,1H3
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n/an/a 2.70E+4n/an/an/an/an/an/a



Université de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 in presence of 15 uM ATP


Bioorg Med Chem Lett 16: 3419-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.006
BindingDB Entry DOI: 10.7270/Q29W0F33
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50247395
PNG
(8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quina...)
Show SMILES CCOC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
Show InChI InChI=1S/C15H16N4O2S/c1-4-21-13(16)14-18-10-6-5-9-11(12(10)22-14)15(20)19(7-17-9)8(2)3/h5-8,16H,4H2,1-3H3
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n/an/a 4.30E+4n/an/an/an/an/an/a



Université de Nantes

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 (unknown origin)


Eur J Med Chem 43: 1469-77 (2008)


Article DOI: 10.1016/j.ejmech.2007.09.020
BindingDB Entry DOI: 10.7270/Q24M9495
More data for this
Ligand-Target Pair
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