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Compile Data Set for Download or QSAR

Found 133 hits with Last Name = 'peel' and Initial = 'mr'   
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
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50293153
PNG
(CHEMBL526110 | N-(3-nitrophenyl)-4-(pyrazolo[1,5-b...)
Show SMILES [O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-4-1-3-11(9-12)20-16-17-8-6-14(21-16)13-10-19-22-15(13)5-2-7-18-22/h1-10H,(H,17,20,21)
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n/an/a 0.300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50293153
PNG
(CHEMBL526110 | N-(3-nitrophenyl)-4-(pyrazolo[1,5-b...)
Show SMILES [O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-4-1-3-11(9-12)20-16-17-8-6-14(21-16)13-10-19-22-15(13)5-2-7-18-22/h1-10H,(H,17,20,21)
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n/an/a 0.300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8129
PNG
(4-[(4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-y...)
Show SMILES N#Cc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C17H11N7/c18-10-12-3-5-13(6-4-12)22-17-19-9-7-15(23-17)14-11-21-24-16(14)2-1-8-20-24/h1-9,11H,(H,19,22,23)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50293153
PNG
(CHEMBL526110 | N-(3-nitrophenyl)-4-(pyrazolo[1,5-b...)
Show SMILES [O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-4-1-3-11(9-12)20-16-17-8-6-14(21-16)13-10-19-22-15(13)5-2-7-18-22/h1-10H,(H,17,20,21)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50293154
PNG
(3-(4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl...)
Show SMILES N#Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C17H11N7/c18-10-12-3-1-4-13(9-12)22-17-19-8-6-15(23-17)14-11-21-24-16(14)5-2-7-20-24/h1-9,11H,(H,19,22,23)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50293152
PNG
((4-Nitro-phenyl)-(4-pyrazolo[1,5-b]pyridazin-3-yl-...)
Show SMILES [O-][N+](=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-5-3-11(4-6-12)20-16-17-9-7-14(21-16)13-10-19-22-15(13)2-1-8-18-22/h1-10H,(H,17,20,21)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50293155
PNG
(CHEMBL497564 | N-(3-(oxazol-4-yl)phenyl)-4-(pyrazo...)
Show SMILES N(c1cccc(c1)-c1cocn1)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C19H13N7O/c1-3-13(17-11-27-12-21-17)9-14(4-1)24-19-20-8-6-16(25-19)15-10-23-26-18(15)5-2-7-22-26/h1-12H,(H,20,24,25)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50293154
PNG
(3-(4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl...)
Show SMILES N#Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C17H11N7/c18-10-12-3-1-4-13(9-12)22-17-19-8-6-15(23-17)14-11-21-24-16(14)5-2-7-20-24/h1-9,11H,(H,19,22,23)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50293150
PNG
(CHEMBL468963 | D3RKN_26 | GSK screening, 38 | N-(4...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F
Show InChI InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50293152
PNG
((4-Nitro-phenyl)-(4-pyrazolo[1,5-b]pyridazin-3-yl-...)
Show SMILES [O-][N+](=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-5-3-11(4-6-12)20-16-17-9-7-14(21-16)13-10-19-22-15(13)2-1-8-18-22/h1-10H,(H,17,20,21)
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8129
PNG
(4-[(4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-y...)
Show SMILES N#Cc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C17H11N7/c18-10-12-3-5-13(6-4-12)22-17-19-9-7-15(23-17)14-11-21-24-16(14)2-1-8-20-24/h1-9,11H,(H,19,22,23)
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50293150
PNG
(CHEMBL468963 | D3RKN_26 | GSK screening, 38 | N-(4...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F
Show InChI InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50293158
PNG
(CHEMBL495751 | N-(2-(diethylamino)ethyl)-3-(4-(pyr...)
Show SMILES CCN(CC)CCNC(=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C23H26N8O/c1-3-30(4-2)14-13-24-22(32)17-7-5-8-18(15-17)28-23-25-12-10-20(29-23)19-16-27-31-21(19)9-6-11-26-31/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,24,32)(H,25,28,29)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8126
PNG
(N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...)
Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50293152
PNG
((4-Nitro-phenyl)-(4-pyrazolo[1,5-b]pyridazin-3-yl-...)
Show SMILES [O-][N+](=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-5-3-11(4-6-12)20-16-17-9-7-14(21-16)13-10-19-22-15(13)2-1-8-18-22/h1-10H,(H,17,20,21)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50293155
PNG
(CHEMBL497564 | N-(3-(oxazol-4-yl)phenyl)-4-(pyrazo...)
Show SMILES N(c1cccc(c1)-c1cocn1)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C19H13N7O/c1-3-13(17-11-27-12-21-17)9-14(4-1)24-19-20-8-6-16(25-19)15-10-23-26-18(15)5-2-7-22-26/h1-12H,(H,20,24,25)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50358043
PNG
(CHEMBL1794051 | GW-5074)
Show SMILES OC1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C15H10Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,15,19-21H
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n/an/a 9n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Inhibition of cRaf1 kinase in cascade assay


Bioorg Med Chem Lett 10: 223-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q240R6
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50293154
PNG
(3-(4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl...)
Show SMILES N#Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C17H11N7/c18-10-12-3-1-4-13(9-12)22-17-19-8-6-15(23-17)14-11-21-24-16(14)5-2-7-20-24/h1-9,11H,(H,19,22,23)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50366677
PNG
(CHEMBL1794050)
Show SMILES Oc1c(Br)cc(C=C2C(=O)Nc3ccc(cc23)-c2cccnc2)cc1Br
Show InChI InChI=1S/C20H12Br2N2O2/c21-16-7-11(8-17(22)19(16)25)6-15-14-9-12(13-2-1-5-23-10-13)3-4-18(14)24-20(15)26/h1-10,25H,(H,24,26)
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n/an/a 11n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Inhibition of cRaf1 kinase in cascade assay


Bioorg Med Chem Lett 10: 223-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q240R6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50293151
PNG
(CHEMBL513354 | N-(3-((diethylamino)methyl)phenyl)-...)
Show SMILES CCN(CC)Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C21H23N7/c1-3-27(4-2)15-16-7-5-8-17(13-16)25-21-22-12-10-19(26-21)18-14-24-28-20(18)9-6-11-23-28/h5-14H,3-4,15H2,1-2H3,(H,22,25,26)
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM8126
PNG
(N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...)
Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50293166
PNG
(CHEMBL495545 | N-(4-(4-methylpiperazin-1-yl)phenyl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C21H22N8/c1-27-11-13-28(14-12-27)17-6-4-16(5-7-17)25-21-22-10-8-19(26-21)18-15-24-29-20(18)3-2-9-23-29/h2-10,15H,11-14H2,1H3,(H,22,25,26)
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50085414
PNG
(3-[1-(3,5-Dibromo-4-hydroxy-phenyl)-meth-(Z)-ylide...)
Show SMILES COC(=O)c1ccc2NC(=O)\C(=C/c3cc(Br)c(O)c(Br)c3)c2c1
Show InChI InChI=1S/C17H11Br2NO4/c1-24-17(23)9-2-3-14-10(7-9)11(16(22)20-14)4-8-5-12(18)15(21)13(19)6-8/h2-7,21H,1H3,(H,20,22)/b11-4-
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n/an/a 13n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Inhibition of cRaf1 kinase in cascade assay


Bioorg Med Chem Lett 10: 223-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q240R6
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50293150
PNG
(CHEMBL468963 | D3RKN_26 | GSK screening, 38 | N-(4...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F
Show InChI InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50085408
PNG
(2-Amino-8-[1-(3,5-dibromo-4-hydroxy-phenyl)-meth-(...)
Show SMILES Nc1nc2c3\C(=C\c4cc(Br)c(O)c(Br)c4)C(=O)Nc3ccc2s1
Show InChI InChI=1S/C16H9Br2N3O2S/c17-8-4-6(5-9(18)14(8)22)3-7-12-10(20-15(7)23)1-2-11-13(12)21-16(19)24-11/h1-5,22H,(H2,19,21)(H,20,23)/b7-3-
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n/an/a 16n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Inhibition of cRaf1 kinase in cascade assay


Bioorg Med Chem Lett 10: 223-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q240R6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50293155
PNG
(CHEMBL497564 | N-(3-(oxazol-4-yl)phenyl)-4-(pyrazo...)
Show SMILES N(c1cccc(c1)-c1cocn1)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C19H13N7O/c1-3-13(17-11-27-12-21-17)9-14(4-1)24-19-20-8-6-16(25-19)15-10-23-26-18(15)5-2-7-22-26/h1-12H,(H,20,24,25)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50293156
PNG
(4-(4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl...)
Show SMILES NC(=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C17H13N7O/c18-16(25)11-3-5-12(6-4-11)22-17-19-9-7-14(23-17)13-10-21-24-15(13)2-1-8-20-24/h1-10H,(H2,18,25)(H,19,22,23)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8131
PNG
(N-(4-Isopropylphenyl)-4-pyrazolo[1,5-b]pyridazin-3...)
Show SMILES CC(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C19H18N6/c1-13(2)14-5-7-15(8-6-14)23-19-20-11-9-17(24-19)16-12-22-25-18(16)4-3-10-21-25/h3-13H,1-2H3,(H,20,23,24)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50085412
PNG
(5-Benzoyl-3-[1-(3,5-dibromo-4-hydroxy-phenyl)-meth...)
Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)c2ccccc2)cc1Br
Show InChI InChI=1S/C22H13Br2NO3/c23-17-9-12(10-18(24)21(17)27)8-16-15-11-14(6-7-19(15)25-22(16)28)20(26)13-4-2-1-3-5-13/h1-11,27H,(H,25,28)/b16-8-
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n/an/a 18n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Inhibition of cRaf1 kinase in cascade assay


Bioorg Med Chem Lett 10: 223-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q240R6
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50293156
PNG
(4-(4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl...)
Show SMILES NC(=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C17H13N7O/c18-16(25)11-3-5-12(6-4-11)22-17-19-9-7-14(23-17)13-10-21-24-15(13)2-1-8-20-24/h1-10H,(H2,18,25)(H,19,22,23)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50293158
PNG
(CHEMBL495751 | N-(2-(diethylamino)ethyl)-3-(4-(pyr...)
Show SMILES CCN(CC)CCNC(=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C23H26N8O/c1-3-30(4-2)14-13-24-22(32)17-7-5-8-18(15-17)28-23-25-12-10-20(29-23)19-16-27-31-21(19)9-6-11-26-31/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,24,32)(H,25,28,29)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50293137
PNG
(4-(2-butylpyrazolo[1,5-b]pyridazin-3-yl)-N-(4-(4-m...)
Show SMILES CCCCc1nn2ncccc2c1-c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C25H30N8/c1-3-4-6-22-24(23-7-5-13-27-33(23)30-22)21-12-14-26-25(29-21)28-19-8-10-20(11-9-19)32-17-15-31(2)16-18-32/h5,7-14H,3-4,6,15-18H2,1-2H3,(H,26,28,29)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM8129
PNG
(4-[(4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-y...)
Show SMILES N#Cc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C17H11N7/c18-10-12-3-5-13(6-4-12)22-17-19-9-7-15(23-17)14-11-21-24-16(14)2-1-8-20-24/h1-9,11H,(H,19,22,23)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50085418
PNG
(3-(3,5-dibromo-4-hydroxybenzylidene)-5-(cyclopropa...)
Show SMILES Oc1c(Br)cc(C=C2C(=O)Nc3ccc(cc23)C(=O)C2CC2)cc1Br |w:6.5|
Show InChI InChI=1S/C19H13Br2NO3/c20-14-6-9(7-15(21)18(14)24)5-13-12-8-11(17(23)10-1-2-10)3-4-16(12)22-19(13)25/h3-8,10,24H,1-2H2,(H,22,25)
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n/an/a 25n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Inhibition of cRaf1 kinase in cascade assay


Bioorg Med Chem Lett 10: 223-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q240R6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50293168
PNG
(4-(2-ethylpyrazolo[1,5-b]pyridazin-3-yl)-N-(4-(4-m...)
Show SMILES CCc1nn2ncccc2c1-c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C23H26N8/c1-3-19-22(21-5-4-11-25-31(21)28-19)20-10-12-24-23(27-20)26-17-6-8-18(9-7-17)30-15-13-29(2)14-16-30/h4-12H,3,13-16H2,1-2H3,(H,24,26,27)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50293159
PNG
(4-(6-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3nc(ccc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H25FN8/c1-34-14-16-35(17-15-34)22-8-6-21(7-9-22)31-27-29-13-12-25(32-27)23-18-30-36-26(23)11-10-24(33-36)19-2-4-20(28)5-3-19/h2-13,18H,14-17H2,1H3,(H,29,31,32)
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n/an/a 26n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50085417
PNG
(3-[1-(3,5-Dibromo-4-hydroxy-phenyl)-meth-(Z)-ylide...)
Show SMILES OCCN(CCO)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc(Br)c(O)c(Br)c3)c2c1
Show InChI InChI=1S/C19H18Br2N2O6S/c20-15-8-11(9-16(21)18(15)26)7-14-13-10-12(1-2-17(13)22-19(14)27)30(28,29)23(3-5-24)4-6-25/h1-2,7-10,24-26H,3-6H2,(H,22,27)/b14-7-
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n/an/a 29n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Inhibition of cRaf1 kinase in cascade assay


Bioorg Med Chem Lett 10: 223-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q240R6
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))
BDBM50036133
PNG
(7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O
Show InChI InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit calf thymus topoisomerase I when assayed in the cleavable complex formation


Bioorg Med Chem Lett 5: 2129-2132 (1995)


Article DOI: 10.1016/0960-894X(95)00360-6
BindingDB Entry DOI: 10.7270/Q20Z7379
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50085413
PNG
(3-(3,5-dichloro-4-hydroxybenzylidene)-5-phenylindo...)
Show SMILES Oc1c(Cl)cc(\C=C2/C(=O)Nc3ccc(cc23)-c2ccccc2)cc1Cl
Show InChI InChI=1S/C21H13Cl2NO2/c22-17-9-12(10-18(23)20(17)25)8-16-15-11-14(13-4-2-1-3-5-13)6-7-19(15)24-21(16)26/h1-11,25H,(H,24,26)/b16-8-
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n/an/a 32n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Inhibition of cRaf1 kinase in cascade assay


Bioorg Med Chem Lett 10: 223-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q240R6
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8126
PNG
(N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...)
Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50293161
PNG
(1-(dimethylamino)-3-(4-(4-(6-morpholinopyrazolo[1,...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2cnn3nc(ccc23)N2CCOCC2)cc1
Show InChI InChI=1S/C25H30N8O3/c1-31(2)16-19(34)17-36-20-5-3-18(4-6-20)28-25-26-10-9-22(29-25)21-15-27-33-23(21)7-8-24(30-33)32-11-13-35-14-12-32/h3-10,15,19,34H,11-14,16-17H2,1-2H3,(H,26,28,29)
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n/an/a 38n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50293158
PNG
(CHEMBL495751 | N-(2-(diethylamino)ethyl)-3-(4-(pyr...)
Show SMILES CCN(CC)CCNC(=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C23H26N8O/c1-3-30(4-2)14-13-24-22(32)17-7-5-8-18(15-17)28-23-25-12-10-20(29-23)19-16-27-31-21(19)9-6-11-26-31/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,24,32)(H,25,28,29)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8131
PNG
(N-(4-Isopropylphenyl)-4-pyrazolo[1,5-b]pyridazin-3...)
Show SMILES CC(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C19H18N6/c1-13(2)14-5-7-15(8-6-14)23-19-20-11-9-17(24-19)16-12-22-25-18(16)4-3-10-21-25/h3-13H,1-2H3,(H,20,23,24)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50293157
PNG
(4-(4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl...)
Show SMILES OC(=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C17H12N6O2/c24-16(25)11-3-5-12(6-4-11)21-17-18-9-7-14(22-17)13-10-20-23-15(13)2-1-8-19-23/h1-10H,(H,24,25)(H,18,21,22)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50085411
PNG
(3-[1-(3,5-Dichloro-4-hydroxy-phenyl)-meth-(Z)-ylid...)
Show SMILES Oc1c(Cl)cc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)c2ccco2)cc1Cl
Show InChI InChI=1S/C20H11Cl2NO4/c21-14-7-10(8-15(22)19(14)25)6-13-12-9-11(3-4-16(12)23-20(13)26)18(24)17-2-1-5-27-17/h1-9,25H,(H,23,26)/b13-6-
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n/an/a 40n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Inhibition of cRaf1 kinase in cascade assay


Bioorg Med Chem Lett 10: 223-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q240R6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50293160
PNG
(4-(6-isopropoxypyrazolo[1,5-b]pyridazin-3-yl)-N-(4...)
Show SMILES CC(C)Oc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C24H28N8O/c1-17(2)33-23-9-8-22-20(16-26-32(22)29-23)21-10-11-25-24(28-21)27-18-4-6-19(7-5-18)31-14-12-30(3)13-15-31/h4-11,16-17H,12-15H2,1-3H3,(H,25,27,28)
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n/an/a 45n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50085411
PNG
(3-[1-(3,5-Dichloro-4-hydroxy-phenyl)-meth-(Z)-ylid...)
Show SMILES Oc1c(Cl)cc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)c2ccco2)cc1Cl
Show InChI InChI=1S/C20H11Cl2NO4/c21-14-7-10(8-15(22)19(14)25)6-13-12-9-11(3-4-16(12)23-20(13)26)18(24)17-2-1-5-27-17/h1-9,25H,(H,23,26)/b13-6-
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n/an/a 46n/an/an/an/an/an/a



Glaxo Wellcome

Curated by ChEMBL


Assay Description
Inhibition of cRaf1 kinase in cascade assay


Bioorg Med Chem Lett 10: 223-6 (2000)


BindingDB Entry DOI: 10.7270/Q2Q240R6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50275583
PNG
(7-ethoxy-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazo...)
Show SMILES CCOc1cccc2c(c(nn12)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H16FN3O/c1-2-25-18-5-3-4-17-19(14-10-12-22-13-11-14)20(23-24(17)18)15-6-8-16(21)9-7-15/h3-13H,2H2,1H3
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-fused p38alpha (unknown origin) expressed in Escherichia coli


Bioorg Med Chem Lett 18: 5428-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.040
BindingDB Entry DOI: 10.7270/Q27S7NM9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50293157
PNG
(4-(4-(pyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl...)
Show SMILES OC(=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C17H12N6O2/c24-16(25)11-3-5-12(6-4-11)21-17-18-9-7-14(22-17)13-10-20-23-15(13)2-1-8-19-23/h1-10H,(H,24,25)(H,18,21,22)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta by scintillation proximity assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50293151
PNG
(CHEMBL513354 | N-(3-((diethylamino)methyl)phenyl)-...)
Show SMILES CCN(CC)Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C21H23N7/c1-3-27(4-2)15-16-7-5-8-17(13-16)25-21-22-12-10-19(26-21)18-14-24-28-20(18)9-6-11-23-28/h5-14H,3-4,15H2,1-2H3,(H,22,25,26)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 by HTRF assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
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