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PubMed code 15149684

Compile data set for download or QSAR
Found 59 hits of Enzyme Inhibition Constant Data   
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 beta


(Homo sapiens (Human))
BDBM50147472
PNG
(3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCO)c2ncccc12 |t:9|
Show InChI InChI=1S/C21H19N3O4/c1-28-16-8-3-2-6-14(16)17-18(21(27)23-20(17)26)15-12-24(10-5-11-25)19-13(15)7-4-9-22-19/h2-4,6-9,12,25H,5,10-11H2,1H3,(H,23,26,27)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147465
PNG
(3-(2-Chloro-4-fluoro-phenyl)-4-[1-(3-hydroxy-propy...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ccc(F)cc2Cl)c2cccnc12 |t:7|
Show InChI InChI=1S/C20H15ClFN3O3/c21-15-9-11(22)4-5-13(15)16-17(20(28)24-19(16)27)14-10-25(7-2-8-26)18-12(14)3-1-6-23-18/h1,3-6,9-10,26H,2,7-8H2,(H,24,27,28)
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n/an/a 6n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147458
PNG
((3-{3-[4-(2-Methoxy-phenyl)-2,5-dioxo-2,5-dihydro-...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ncccc12 |t:9|
Show InChI InChI=1S/C26H28N4O5/c1-26(2,3)35-25(33)28-13-8-14-30-15-18(16-10-7-12-27-22(16)30)21-20(23(31)29-24(21)32)17-9-5-6-11-19(17)34-4/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,28,33)(H,29,31,32)
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n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147464
PNG
(CHEMBL109977 | N-(3-{3-[4-(2-Methoxy-phenyl)-2,5-d...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC=O)c2ncccc12 |t:9|
Show InChI InChI=1S/C22H20N4O4/c1-30-17-8-3-2-6-15(17)18-19(22(29)25-21(18)28)16-12-26(11-5-9-23-13-27)20-14(16)7-4-10-24-20/h2-4,6-8,10,12-13H,5,9,11H2,1H3,(H,23,27)(H,25,28,29)
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147473
PNG
(3-(2-Chloro-phenyl)-4-[1-(3-hydroxy-propyl)-1H-pyr...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:7|
Show InChI InChI=1S/C20H16ClN3O3/c21-15-7-2-1-5-13(15)16-17(20(27)23-19(16)26)14-11-24(9-4-10-25)18-12(14)6-3-8-22-18/h1-3,5-8,11,25H,4,9-10H2,(H,23,26,27)
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n/an/a 10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147459
PNG
(CHEMBL326208 | N-(3-{3-[4-(2-Methoxy-phenyl)-2,5-d...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNS(C)(=O)=O)c2ncccc12 |t:9|
Show InChI InChI=1S/C22H22N4O5S/c1-31-17-9-4-3-7-15(17)18-19(22(28)25-21(18)27)16-13-26(12-6-11-24-32(2,29)30)20-14(16)8-5-10-23-20/h3-5,7-10,13,24H,6,11-12H2,1-2H3,(H,25,27,28)
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n/an/a 14n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147461
PNG
(3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2C(F)(F)F)c2cccnc12 |t:7|
Show InChI InChI=1S/C21H16F3N3O3/c22-21(23,24)15-7-2-1-5-13(15)16-17(20(30)26-19(16)29)14-11-27(9-4-10-28)18-12(14)6-3-8-25-18/h1-3,5-8,11,28H,4,9-10H2,(H,26,29,30)
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n/an/a 14n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147462
PNG
(3-(2-Chloro-phenyl)-4-[1-(3-dimethylamino-propyl)-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:9|
Show InChI InChI=1S/C22H21ClN4O2/c1-26(2)11-6-12-27-13-16(14-8-5-10-24-20(14)27)19-18(21(28)25-22(19)29)15-7-3-4-9-17(15)23/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,25,28,29)
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n/an/a 15n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147468
PNG
(3-(7-Azaindolyl)-4-arylmaleimide analogue | CHEMBL...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNS(N)(=O)=O)c2ncccc12 |t:9|
Show InChI InChI=1S/C21H21N5O5S/c1-31-16-8-3-2-6-14(16)17-18(21(28)25-20(17)27)15-12-26(11-5-10-24-32(22,29)30)19-13(15)7-4-9-23-19/h2-4,6-9,12,24H,5,10-11H2,1H3,(H2,22,29,30)(H,25,27,28)
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n/an/a 20n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147463
PNG
(3-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-4-[1-(...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ncc(cc2Cl)C(F)(F)F)c2cccnc12 |t:7|
Show InChI InChI=1S/C20H14ClF3N4O3/c21-13-7-10(20(22,23)24)8-26-16(13)15-14(18(30)27-19(15)31)12-9-28(5-2-6-29)17-11(12)3-1-4-25-17/h1,3-4,7-9,29H,2,5-6H2,(H,27,30,31)
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n/an/a 26n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147471
PNG
(3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2cccs2)c2cccnc12 |t:7|
Show InChI InChI=1S/C18H15N3O3S/c22-8-3-7-21-10-12(11-4-1-6-19-16(11)21)14-15(13-5-2-9-25-13)18(24)20-17(14)23/h1-2,4-6,9-10,22H,3,7-8H2,(H,20,23,24)
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n/an/a 31n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147469
PNG
(3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:7|
Show InChI InChI=1S/C24H19N3O3/c28-13-5-12-27-14-19(18-10-4-11-25-22(18)27)21-20(23(29)26-24(21)30)17-9-3-7-15-6-1-2-8-16(15)17/h1-4,6-11,14,28H,5,12-13H2,(H,26,29,30)
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n/an/a 31n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147460
PNG
(3-[1-(3-Amino-propyl)-1H-pyrrolo[2,3-b]pyridin-3-y...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCN)c2ncccc12 |t:9|
Show InChI InChI=1S/C21H20N4O3/c1-28-16-8-3-2-6-14(16)17-18(21(27)24-20(17)26)15-12-25(11-5-9-22)19-13(15)7-4-10-23-19/h2-4,6-8,10,12H,5,9,11,22H2,1H3,(H,24,26,27)
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n/an/a 37n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147457
PNG
(3-(2-Hydroxy-phenyl)-4-[1-(3-hydroxy-propyl)-1H-py...)
Show SMILES COCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2O)c2cccnc12 |t:8|
Show InChI InChI=1S/C21H19N3O4/c1-28-11-5-10-24-12-15(13-7-4-9-22-19(13)24)18-17(20(26)23-21(18)27)14-6-2-3-8-16(14)25/h2-4,6-9,12,25H,5,10-11H2,1H3,(H,23,26,27)
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n/an/a 45n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147466
PNG
(3-(1-Ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[1-(3-...)
Show SMILES CCn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ncccc23)c2cccnc12 |t:5|
Show InChI InChI=1S/C23H21N5O3/c1-2-27-12-16(14-6-3-8-24-20(14)27)18-19(23(31)26-22(18)30)17-13-28(10-5-11-29)21-15(17)7-4-9-25-21/h3-4,6-9,12-13,29H,2,5,10-11H2,1H3,(H,26,30,31)
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n/an/a 65n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50147458
PNG
((3-{3-[4-(2-Methoxy-phenyl)-2,5-dioxo-2,5-dihydro-...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ncccc12 |t:9|
Show InChI InChI=1S/C26H28N4O5/c1-26(2,3)35-25(33)28-13-8-14-30-15-18(16-10-7-12-27-22(16)30)21-20(23(31)29-24(21)32)17-9-5-6-11-19(17)34-4/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,28,33)(H,29,31,32)
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n/an/a 68n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 2-cyclin A


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147467
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:9|
Show InChI InChI=1S/C26H24N4O2/c1-29(2)14-7-15-30-16-21(20-12-6-13-27-24(20)30)23-22(25(31)28-26(23)32)19-11-5-9-17-8-3-4-10-18(17)19/h3-6,8-13,16H,7,14-15H2,1-2H3,(H,28,31,32)
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n/an/a 140n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50147458
PNG
((3-{3-[4-(2-Methoxy-phenyl)-2,5-dioxo-2,5-dihydro-...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ncccc12 |t:9|
Show InChI InChI=1S/C26H28N4O5/c1-26(2,3)35-25(33)28-13-8-14-30-15-18(16-10-7-12-27-22(16)30)21-20(23(31)29-24(21)32)17-9-5-6-11-19(17)34-4/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,28,33)(H,29,31,32)
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n/an/a 170n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147467
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:9|
Show InChI InChI=1S/C26H24N4O2/c1-29(2)14-7-15-30-16-21(20-12-6-13-27-24(20)30)23-22(25(31)28-26(23)32)19-11-5-9-17-8-3-4-10-18(17)19/h3-6,8-13,16H,7,14-15H2,1-2H3,(H,28,31,32)
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n/an/a 240n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human protein kinase C-betaII using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147469
PNG
(3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:7|
Show InChI InChI=1S/C24H19N3O3/c28-13-5-12-27-14-19(18-10-4-11-25-22(18)27)21-20(23(29)26-24(21)30)17-9-3-7-15-6-1-2-8-16(15)17/h1-4,6-11,14,28H,5,12-13H2,(H,26,29,30)
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n/an/a 270n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human protein kinase C-betaII using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50147457
PNG
(3-(2-Hydroxy-phenyl)-4-[1-(3-hydroxy-propyl)-1H-py...)
Show SMILES COCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2O)c2cccnc12 |t:8|
Show InChI InChI=1S/C21H19N3O4/c1-28-11-5-10-24-12-15(13-7-4-9-22-19(13)24)18-17(20(26)23-21(18)27)14-6-2-3-8-16(14)25/h2-4,6-9,12,25H,5,10-11H2,1H3,(H,23,26,27)
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n/an/a 430n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 2-cyclin A


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147470
PNG
(3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ccccn2)c2cccnc12 |t:7|
Show InChI InChI=1S/C19H16N4O3/c24-10-4-9-23-11-13(12-5-3-8-21-17(12)23)15-16(19(26)22-18(15)25)14-6-1-2-7-20-14/h1-3,5-8,11,24H,4,9-10H2,(H,22,25,26)
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n/an/a 480n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50147458
PNG
((3-{3-[4-(2-Methoxy-phenyl)-2,5-dioxo-2,5-dihydro-...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ncccc12 |t:9|
Show InChI InChI=1S/C26H28N4O5/c1-26(2,3)35-25(33)28-13-8-14-30-15-18(16-10-7-12-27-22(16)30)21-20(23(31)29-24(21)32)17-9-5-6-11-19(17)34-4/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,28,33)(H,29,31,32)
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n/an/a 570n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of PDK1


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50147458
PNG
((3-{3-[4-(2-Methoxy-phenyl)-2,5-dioxo-2,5-dihydro-...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ncccc12 |t:9|
Show InChI InChI=1S/C26H28N4O5/c1-26(2,3)35-25(33)28-13-8-14-30-15-18(16-10-7-12-27-22(16)30)21-20(23(31)29-24(21)32)17-9-5-6-11-19(17)34-4/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,28,33)(H,29,31,32)
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n/an/a 640n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Ribosomal S6 kinase 3


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50147457
PNG
(3-(2-Hydroxy-phenyl)-4-[1-(3-hydroxy-propyl)-1H-py...)
Show SMILES COCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2O)c2cccnc12 |t:8|
Show InChI InChI=1S/C21H19N3O4/c1-28-11-5-10-24-12-15(13-7-4-9-22-19(13)24)18-17(20(26)23-21(18)27)14-6-2-3-8-16(14)25/h2-4,6-9,12,25H,5,10-11H2,1H3,(H,23,26,27)
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n/an/a 700n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147473
PNG
(3-(2-Chloro-phenyl)-4-[1-(3-hydroxy-propyl)-1H-pyr...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:7|
Show InChI InChI=1S/C20H16ClN3O3/c21-15-7-2-1-5-13(15)16-17(20(27)23-19(16)26)14-11-24(9-4-10-25)18-12(14)6-3-8-22-18/h1-3,5-8,11,25H,4,9-10H2,(H,23,26,27)
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n/an/a 730n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human protein kinase C-betaII using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147468
PNG
(3-(7-Azaindolyl)-4-arylmaleimide analogue | CHEMBL...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNS(N)(=O)=O)c2ncccc12 |t:9|
Show InChI InChI=1S/C21H21N5O5S/c1-31-16-8-3-2-6-14(16)17-18(21(28)25-20(17)27)15-12-26(11-5-10-24-32(22,29)30)19-13(15)7-4-9-23-19/h2-4,6-9,12,24H,5,10-11H2,1H3,(H2,22,29,30)(H,25,27,28)
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n/an/a 890n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human protein kinase C-betaII using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147466
PNG
(3-(1-Ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[1-(3-...)
Show SMILES CCn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ncccc23)c2cccnc12 |t:5|
Show InChI InChI=1S/C23H21N5O3/c1-2-27-12-16(14-6-3-8-24-20(14)27)18-19(23(31)26-22(18)30)17-13-28(10-5-11-29)21-15(17)7-4-9-25-21/h3-4,6-9,12-13,29H,2,5,10-11H2,1H3,(H,26,30,31)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human protein kinase C-betaII using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147460
PNG
(3-[1-(3-Amino-propyl)-1H-pyrrolo[2,3-b]pyridin-3-y...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCN)c2ncccc12 |t:9|
Show InChI InChI=1S/C21H20N4O3/c1-28-16-8-3-2-6-14(16)17-18(21(27)24-20(17)26)15-12-25(11-5-9-22)19-13(15)7-4-10-23-19/h2-4,6-8,10,12H,5,9,11,22H2,1H3,(H,24,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human protein kinase C-betaII using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147462
PNG
(3-(2-Chloro-phenyl)-4-[1-(3-dimethylamino-propyl)-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:9|
Show InChI InChI=1S/C22H21ClN4O2/c1-26(2)11-6-12-27-13-16(14-8-5-10-24-20(14)27)19-18(21(28)25-22(19)29)15-7-3-4-9-17(15)23/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,25,28,29)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human protein kinase C-betaII using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50147467
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:9|
Show InChI InChI=1S/C26H24N4O2/c1-29(2)14-7-15-30-16-21(20-12-6-13-27-24(20)30)23-22(25(31)28-26(23)32)19-11-5-9-17-8-3-4-10-18(17)19/h3-6,8-13,16H,7,14-15H2,1-2H3,(H,28,31,32)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein kinase C-alpha using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147472
PNG
(3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCO)c2ncccc12 |t:9|
Show InChI InChI=1S/C21H19N3O4/c1-28-16-8-3-2-6-14(16)17-18(21(27)23-20(17)26)15-12-24(10-5-11-25)19-13(15)7-4-9-22-19/h2-4,6-9,12,25H,5,10-11H2,1H3,(H,23,26,27)
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n/an/a 1.44E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human protein kinase C-betaII using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50147458
PNG
((3-{3-[4-(2-Methoxy-phenyl)-2,5-dioxo-2,5-dihydro-...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ncccc12 |t:9|
Show InChI InChI=1S/C26H28N4O5/c1-26(2,3)35-25(33)28-13-8-14-30-15-18(16-10-7-12-27-22(16)30)21-20(23(31)29-24(21)32)17-9-5-6-11-19(17)34-4/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,28,33)(H,29,31,32)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein tyrosine kinase Lyn


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147461
PNG
(3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2C(F)(F)F)c2cccnc12 |t:7|
Show InChI InChI=1S/C21H16F3N3O3/c22-21(23,24)15-7-2-1-5-13(15)16-17(20(30)26-19(16)29)14-11-27(9-4-10-28)18-12(14)6-3-8-25-18/h1-3,5-8,11,28H,4,9-10H2,(H,26,29,30)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human protein kinase C-betaII using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147459
PNG
(CHEMBL326208 | N-(3-{3-[4-(2-Methoxy-phenyl)-2,5-d...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNS(C)(=O)=O)c2ncccc12 |t:9|
Show InChI InChI=1S/C22H22N4O5S/c1-31-17-9-4-3-7-15(17)18-19(22(28)25-21(18)27)16-13-26(12-6-11-24-32(2,29)30)20-14(16)8-5-10-23-20/h3-5,7-10,13,24H,6,11-12H2,1-2H3,(H,25,27,28)
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n/an/a 1.88E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human protein kinase C-betaII using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50147457
PNG
(3-(2-Hydroxy-phenyl)-4-[1-(3-hydroxy-propyl)-1H-py...)
Show SMILES COCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2O)c2cccnc12 |t:8|
Show InChI InChI=1S/C21H19N3O4/c1-28-11-5-10-24-12-15(13-7-4-9-22-19(13)24)18-17(20(26)23-21(18)27)14-6-2-3-8-16(14)25/h2-4,6-9,12,25H,5,10-11H2,1H3,(H,23,26,27)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Ribosomal S6 kinase 3


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147458
PNG
((3-{3-[4-(2-Methoxy-phenyl)-2,5-dioxo-2,5-dihydro-...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ncccc12 |t:9|
Show InChI InChI=1S/C26H28N4O5/c1-26(2,3)35-25(33)28-13-8-14-30-15-18(16-10-7-12-27-22(16)30)21-20(23(31)29-24(21)32)17-9-5-6-11-19(17)34-4/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,28,33)(H,29,31,32)
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n/an/a 2.26E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human protein kinase C-betaII using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147465
PNG
(3-(2-Chloro-4-fluoro-phenyl)-4-[1-(3-hydroxy-propy...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ccc(F)cc2Cl)c2cccnc12 |t:7|
Show InChI InChI=1S/C20H15ClFN3O3/c21-15-9-11(22)4-5-13(15)16-17(20(28)24-19(16)27)14-10-25(7-2-8-26)18-12(14)3-1-6-23-18/h1,3-6,9-10,26H,2,7-8H2,(H,24,27,28)
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n/an/a 2.38E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human protein kinase C-betaII using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147464
PNG
(CHEMBL109977 | N-(3-{3-[4-(2-Methoxy-phenyl)-2,5-d...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC=O)c2ncccc12 |t:9|
Show InChI InChI=1S/C22H20N4O4/c1-30-17-8-3-2-6-15(17)18-19(22(29)25-21(18)28)16-12-26(11-5-9-23-13-27)20-14(16)7-4-10-24-20/h2-4,6-8,10,12-13H,5,9,11H2,1H3,(H,23,27)(H,25,28,29)
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n/an/a 2.73E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human protein kinase C-betaII using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50147463
PNG
(3-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-4-[1-(...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ncc(cc2Cl)C(F)(F)F)c2cccnc12 |t:7|
Show InChI InChI=1S/C20H14ClF3N4O3/c21-13-7-10(20(22,23)24)8-26-16(13)15-14(18(30)27-19(15)31)12-9-28(5-2-6-29)17-11(12)3-1-4-25-17/h1,3-4,7-9,29H,2,5-6H2,(H,27,30,31)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 2-cyclin A


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50147467
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:9|
Show InChI InChI=1S/C26H24N4O2/c1-29(2)14-7-15-30-16-21(20-12-6-13-27-24(20)30)23-22(25(31)28-26(23)32)19-11-5-9-17-8-3-4-10-18(17)19/h3-6,8-13,16H,7,14-15H2,1-2H3,(H,28,31,32)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C-gamma


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50147469
PNG
(3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:7|
Show InChI InChI=1S/C24H19N3O3/c28-13-5-12-27-14-19(18-10-4-11-25-22(18)27)21-20(23(29)26-24(21)30)17-9-3-7-15-6-1-2-8-16(15)17/h1-4,6-11,14,28H,5,12-13H2,(H,26,29,30)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein kinase C-alpha using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50147462
PNG
(3-(2-Chloro-phenyl)-4-[1-(3-dimethylamino-propyl)-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:9|
Show InChI InChI=1S/C22H21ClN4O2/c1-26(2)11-6-12-27-13-16(14-8-5-10-24-20(14)27)19-18(21(28)25-22(19)29)15-7-3-4-9-17(15)23/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,25,28,29)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C-gamma


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50147462
PNG
(3-(2-Chloro-phenyl)-4-[1-(3-dimethylamino-propyl)-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:9|
Show InChI InChI=1S/C22H21ClN4O2/c1-26(2)11-6-12-27-13-16(14-8-5-10-24-20(14)27)19-18(21(28)25-22(19)29)15-7-3-4-9-17(15)23/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,25,28,29)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein kinase C-alpha using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147457
PNG
(3-(2-Hydroxy-phenyl)-4-[1-(3-hydroxy-propyl)-1H-py...)
Show SMILES COCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2O)c2cccnc12 |t:8|
Show InChI InChI=1S/C21H19N3O4/c1-28-11-5-10-24-12-15(13-7-4-9-22-19(13)24)18-17(20(26)23-21(18)27)14-6-2-3-8-16(14)25/h2-4,6-9,12,25H,5,10-11H2,1H3,(H,23,26,27)
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n/an/a 4.36E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human protein kinase C-betaII using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50147473
PNG
(3-(2-Chloro-phenyl)-4-[1-(3-hydroxy-propyl)-1H-pyr...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:7|
Show InChI InChI=1S/C20H16ClN3O3/c21-15-7-2-1-5-13(15)16-17(20(27)23-19(16)26)14-11-24(9-4-10-25)18-12(14)6-3-8-22-18/h1-3,5-8,11,25H,4,9-10H2,(H,23,26,27)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein kinase C-alpha using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50147465
PNG
(3-(2-Chloro-4-fluoro-phenyl)-4-[1-(3-hydroxy-propy...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ccc(F)cc2Cl)c2cccnc12 |t:7|
Show InChI InChI=1S/C20H15ClFN3O3/c21-15-9-11(22)4-5-13(15)16-17(20(28)24-19(16)27)14-10-25(7-2-8-26)18-12(14)3-1-6-23-18/h1,3-6,9-10,26H,2,7-8H2,(H,24,27,28)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein kinase C-alpha using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50147459
PNG
(CHEMBL326208 | N-(3-{3-[4-(2-Methoxy-phenyl)-2,5-d...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNS(C)(=O)=O)c2ncccc12 |t:9|
Show InChI InChI=1S/C22H22N4O5S/c1-31-17-9-4-3-7-15(17)18-19(22(28)25-21(18)27)16-13-26(12-6-11-24-32(2,29)30)20-14(16)8-5-10-23-20/h3-5,7-10,13,24H,6,11-12H2,1-2H3,(H,25,27,28)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein kinase C-alpha using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50147473
PNG
(3-(2-Chloro-phenyl)-4-[1-(3-hydroxy-propyl)-1H-pyr...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2cccnc12 |t:7|
Show InChI InChI=1S/C20H16ClN3O3/c21-15-7-2-1-5-13(15)16-17(20(27)23-19(16)26)14-11-24(9-4-10-25)18-12(14)6-3-8-22-18/h1-3,5-8,11,25H,4,9-10H2,(H,23,26,27)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C-gamma


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50147463
PNG
(3-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-4-[1-(...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ncc(cc2Cl)C(F)(F)F)c2cccnc12 |t:7|
Show InChI InChI=1S/C20H14ClF3N4O3/c21-13-7-10(20(22,23)24)8-26-16(13)15-14(18(30)27-19(15)31)12-9-28(5-2-6-29)17-11(12)3-1-4-25-17/h1,3-4,7-9,29H,2,5-6H2,(H,27,30,31)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50147468
PNG
(3-(7-Azaindolyl)-4-arylmaleimide analogue | CHEMBL...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNS(N)(=O)=O)c2ncccc12 |t:9|
Show InChI InChI=1S/C21H21N5O5S/c1-31-16-8-3-2-6-14(16)17-18(21(28)25-20(17)27)15-12-26(11-5-10-24-32(22,29)30)19-13(15)7-4-9-23-19/h2-4,6-9,12,24H,5,10-11H2,1H3,(H2,22,29,30)(H,25,27,28)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C-gamma


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50147459
PNG
(CHEMBL326208 | N-(3-{3-[4-(2-Methoxy-phenyl)-2,5-d...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNS(C)(=O)=O)c2ncccc12 |t:9|
Show InChI InChI=1S/C22H22N4O5S/c1-31-17-9-4-3-7-15(17)18-19(22(28)25-21(18)27)16-13-26(12-6-11-24-32(2,29)30)20-14(16)8-5-10-23-20/h3-5,7-10,13,24H,6,11-12H2,1-2H3,(H,25,27,28)
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n/an/a 8.60E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C-gamma


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50147464
PNG
(CHEMBL109977 | N-(3-{3-[4-(2-Methoxy-phenyl)-2,5-d...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC=O)c2ncccc12 |t:9|
Show InChI InChI=1S/C22H20N4O4/c1-30-17-8-3-2-6-15(17)18-19(22(29)25-21(18)28)16-12-26(11-5-9-23-13-27)20-14(16)7-4-10-24-20/h2-4,6-8,10,12-13H,5,9,11H2,1H3,(H,23,27)(H,25,28,29)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C-gamma


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (Human))
BDBM50147463
PNG
(3-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-4-[1-(...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ncc(cc2Cl)C(F)(F)F)c2cccnc12 |t:7|
Show InChI InChI=1S/C20H14ClF3N4O3/c21-13-7-10(20(22,23)24)8-26-16(13)15-14(18(30)27-19(15)31)12-9-28(5-2-6-29)17-11(12)3-1-4-25-17/h1,3-4,7-9,29H,2,5-6H2,(H,27,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MSK-1 kinase


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM26979
PNG
(CHEMBL19429 | CHEMBL69710 | CHLORIDE | Cl- | POTAS...)
Show InChI InChI=1S/ClH/h1H/p-1
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n/an/an/an/a>3.00E+6n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Effective concentration of compound against glycogen synthase kinase-3 in HEK293 cells


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8296
PNG
(3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4|
Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)
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n/an/an/an/a 200n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Effective concentration of compound against glycogen synthase kinase-3 in HEK293 cells


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147463
PNG
(3-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-4-[1-(...)
Show SMILES OCCCn1cc(C2=C(C(=O)NC2=O)c2ncc(cc2Cl)C(F)(F)F)c2cccnc12 |t:7|
Show InChI InChI=1S/C20H14ClF3N4O3/c21-13-7-10(20(22,23)24)8-26-16(13)15-14(18(30)27-19(15)31)12-9-28(5-2-6-29)17-11(12)3-1-4-25-17/h1,3-4,7-9,29H,2,5-6H2,(H,27,30,31)
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n/an/an/an/a 620n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Effective concentration of compound against glycogen synthase kinase-3 in HEK293 cells


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147457
PNG
(3-(2-Hydroxy-phenyl)-4-[1-(3-hydroxy-propyl)-1H-py...)
Show SMILES COCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2O)c2cccnc12 |t:8|
Show InChI InChI=1S/C21H19N3O4/c1-28-11-5-10-24-12-15(13-7-4-9-22-19(13)24)18-17(20(26)23-21(18)27)14-6-2-3-8-16(14)25/h2-4,6-9,12,25H,5,10-11H2,1H3,(H,23,26,27)
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n/an/an/an/a 390n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Effective concentration of compound against glycogen synthase kinase-3 in HEK293 cells


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147458
PNG
((3-{3-[4-(2-Methoxy-phenyl)-2,5-dioxo-2,5-dihydro-...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ncccc12 |t:9|
Show InChI InChI=1S/C26H28N4O5/c1-26(2,3)35-25(33)28-13-8-14-30-15-18(16-10-7-12-27-22(16)30)21-20(23(31)29-24(21)32)17-9-5-6-11-19(17)34-4/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,28,33)(H,29,31,32)
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n/an/an/an/a 40n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Effective concentration of compound against glycogen synthase kinase-3 in HEK293 cells


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%