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Compile Data Set for Download or QSAR

Found 144 hits with Last Name = 'logé' and Initial = 'c'   
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)
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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n/an/a 91n/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
Glycogen synthase kinase-3


(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
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)
Glycogen synthase kinase-3


(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


(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 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
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 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


(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
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)
Glycogen synthase kinase-3


(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


(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
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
Glycogen synthase kinase-3


(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


(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


(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


(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


(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))
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
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
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
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
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
Glycogen synthase kinase-3


(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
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
Glycogen synthase kinase-3


(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 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
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
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
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
Cyclin-Dependent Kinase 5 (CDK5)


(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 (CDK5)


(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 (CDK5)


(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
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
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
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391182
PNG
(CHEMBL2088659)
Show SMILES COc1ccc2[nH]c3c(c(C)n[nH]c3=O)c2c1
Show InChI InChI=1S/C12H11N3O2/c1-6-10-8-5-7(17-2)3-4-9(8)13-11(10)12(16)15-14-6/h3-5,13H,1-2H3,(H,15,16)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli 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
p110α/p85α


(Homo sapiens (Human))
BDBM50391191
PNG
(CHEMBL2088669)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3cccc(c3)C#N)c3ccc(F)cc3c12
Show InChI InChI=1S/C19H13FN4O/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 5.00E+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))
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 5.10E+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))
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 5.20E+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
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
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391181
PNG
(CHEMBL2088658)
Show SMILES Cc1n[nH]c(=O)c2[nH]c3ccc(F)cc3c12
Show InChI InChI=1S/C11H8FN3O/c1-5-9-7-4-6(12)2-3-8(7)13-10(9)11(16)15-14-5/h2-4,13H,1H3,(H,15,16)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli 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
p110α/p85α


(Homo sapiens (Human))
BDBM50391183
PNG
(CHEMBL2088660)
Show SMILES Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)[N+]([O-])=O)c3ccc(Br)cc3c12
Show InChI InChI=1S/C18H13BrN4O3/c1-10-16-14-8-12(19)4-7-15(14)22(17(16)18(24)21-20-10)9-11-2-5-13(6-3-11)23(25)26/h2-8H,9H2,1H3,(H,21,24)
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n/an/a 6.00E+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))
BDBM50391199
PNG
(CHEMBL2088677)
Show SMILES COc1cccc(Cn2c3ccc(OC)cc3c3c(C)n[nH]c(=O)c23)c1
Show InChI InChI=1S/C20H19N3O3/c1-12-18-16-10-15(26-3)7-8-17(16)23(19(18)20(24)22-21-12)11-13-5-4-6-14(9-13)25-2/h4-10H,11H2,1-3H3,(H,22,24)
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n/an/a 6.30E+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
Glycogen synthase kinase-3


(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
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