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PubMed code 19481464

Compile data set for download or QSAR
Found 41 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
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PKCE expressed in Bac-to Bac baculovirus system


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora A expressed in Escherichia coli


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of GST-GSK3beta


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295903
PNG
(3-(5-Bromo-1-(3-(1H-imidazol-1-yl)propyl)-1H-indol...)
Show SMILES Brc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)n3ccc4ncccc34)c2c1 |t:17|
Show InChI InChI=1S/C25H19BrN6O2/c26-16-4-5-20-17(13-16)18(14-31(20)10-2-9-30-12-8-27-15-30)22-23(25(34)29-24(22)33)32-11-6-19-21(32)3-1-7-28-19/h1,3-8,11-15H,2,9-10H2,(H,29,33,34)
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n/an/a 140n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295904
PNG
(3-(1-(2-(1H-Imidazol-1-yl)ethyl)-1H-indol-3-yl)-4-...)
Show SMILES O=C1NC(=O)C(=C1c1cn(CCn2ccnc2)c2ccccc12)n1ccc2ncccc12 |c:5|
Show InChI InChI=1S/C24H18N6O2/c31-23-21(22(24(32)27-23)30-10-7-18-20(30)6-3-8-26-18)17-14-29(13-12-28-11-9-25-15-28)19-5-2-1-4-16(17)19/h1-11,14-15H,12-13H2,(H,27,31,32)
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n/an/a 260n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295912
PNG
(3-(6-Fluoro-1-(3-(1H-imidazol-1-yl)propyl)-1H-indo...)
Show SMILES Fc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)n1ccc2ncccc12 |t:21|
Show InChI InChI=1S/C25H19FN6O2/c26-16-4-5-17-18(14-31(21(17)13-16)10-2-9-30-12-8-27-15-30)22-23(25(34)29-24(22)33)32-11-6-19-20(32)3-1-7-28-19/h1,3-8,11-15H,2,9-10H2,(H,29,33,34)
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n/an/a 310n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295910
PNG
(3-(5-Methoxy-1-(3-(1H-imidazol-1-yl)propyl)-1H-ind...)
Show SMILES COc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)n3ccc4ncccc34)c2c1 |t:18|
Show InChI InChI=1S/C26H22N6O3/c1-35-17-5-6-21-18(14-17)19(15-31(21)11-3-10-30-13-9-27-16-30)23-24(26(34)29-25(23)33)32-12-7-20-22(32)4-2-8-28-20/h2,4-9,12-16H,3,10-11H2,1H3,(H,29,33,34)
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n/an/a 480n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295909
PNG
(3-(1-(3-(1H-Imidazol-1-yl)propyl)-1H-indol-3-yl)-4...)
Show SMILES O=C1NC(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)n1ccc2ncccc12 |c:5|
Show InChI InChI=1S/C25H20N6O2/c32-24-22(23(25(33)28-24)31-13-8-19-21(31)7-3-9-27-19)18-15-30(20-6-2-1-5-17(18)20)12-4-11-29-14-10-26-16-29/h1-3,5-10,13-16H,4,11-12H2,(H,28,32,33)
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n/an/a 550n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295906
PNG
(3-(1-(3-(1H-Imidazol-1-yl)propyl)-1H-indol-3-yl)-4...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2ncccc12 |t:4|
Show InChI InChI=1S/C26H22N6O2/c1-30-14-19(24-21(30)8-4-9-28-24)23-22(25(33)29-26(23)34)18-15-32(20-7-3-2-6-17(18)20)12-5-11-31-13-10-27-16-31/h2-4,6-10,13-16H,5,11-12H2,1H3,(H,29,33,34)
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n/an/a 660n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 670n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MEK1 expressed in Escherichia coli


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295902
PNG
(3-(1-Methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-4-(1-(3...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|
Show InChI InChI=1S/C27H27N5O3/c1-30-16-20(25-22(30)8-4-9-28-25)24-23(26(33)29-27(24)34)19-17-32(21-7-3-2-6-18(19)21)11-5-10-31-12-14-35-15-13-31/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,29,33,34)
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n/an/a 760n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295919
PNG
(3-(1-(4-(1H-Imidazol-1-yl)butyl)-1H-indol-3-yl)-4-...)
Show SMILES O=C1NC(=O)C(=C1c1cn(CCCCn2ccnc2)c2ccccc12)n1ccc2ncccc12 |c:5|
Show InChI InChI=1S/C26H22N6O2/c33-25-23(24(26(34)29-25)32-14-9-20-22(32)8-5-10-28-20)19-16-31(21-7-2-1-6-18(19)21)13-4-3-12-30-15-11-27-17-30/h1-2,5-11,14-17H,3-4,12-13H2,(H,29,33,34)
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n/an/a 850n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295907
PNG
(3-(1-Methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-4-(1-(2...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|
Show InChI InChI=1S/C26H25N5O3/c1-29-15-19(24-21(29)7-4-8-27-24)23-22(25(32)28-26(23)33)18-16-31(20-6-3-2-5-17(18)20)10-9-30-11-13-34-14-12-30/h2-8,15-16H,9-14H2,1H3,(H,28,32,33)
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n/an/a 900n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295911
PNG
(3-(6-Bromo-1-(3-(1H-imidazol-1-yl)propyl)-1H-indol...)
Show SMILES Brc1ccc2c(cn(CCCn3ccnc3)c2c1)C1=C(C(=O)NC1=O)n1ccc2ncccc12 |t:21|
Show InChI InChI=1S/C25H19BrN6O2/c26-16-4-5-17-18(14-31(21(17)13-16)10-2-9-30-12-8-27-15-30)22-23(25(34)29-24(22)33)32-11-6-19-20(32)3-1-7-28-19/h1,3-8,11-15H,2,9-10H2,(H,29,33,34)
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n/an/a 950n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295908
PNG
(3-(1-(3-Hydroxypropyl)-1H-indol-3-yl)-4-(1-methyl-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ccccc23)c2ncccc12 |t:4|
Show InChI InChI=1S/C23H20N4O3/c1-26-12-16(21-18(26)8-4-9-24-21)20-19(22(29)25-23(20)30)15-13-27(10-5-11-28)17-7-3-2-6-14(15)17/h2-4,6-9,12-13,28H,5,10-11H2,1H3,(H,25,29,30)
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n/an/a 1.14E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 1.31E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK1 expressed in Escherichia coli


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 1.41E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant IKK2 expressed in Bac-to Bac baculovirus system


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295918
PNG
(3-(1-(3-Morpholinopropyl)-1H-indol-3-yl)-4-(1Hpyrr...)
Show SMILES O=C1NC(=O)C(=C1c1cn(CCCN2CCOCC2)c2ccccc12)n1ccc2ncccc12 |c:5|
Show InChI InChI=1S/C26H25N5O3/c32-25-23(24(26(33)28-25)31-12-8-20-22(31)7-3-9-27-20)19-17-30(21-6-2-1-5-18(19)21)11-4-10-29-13-15-34-16-14-29/h1-3,5-9,12,17H,4,10-11,13-16H2,(H,28,32,33)
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n/an/a 1.79E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295915
PNG
(3-(6-Bromo-1-(3-(dimethylamino)propyl)-1H-indol-3-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)n2ccc3ncccc23)c2ccc(Br)cc12 |t:9|
Show InChI InChI=1S/C24H22BrN5O2/c1-28(2)10-4-11-29-14-17(16-7-6-15(25)13-20(16)29)21-22(24(32)27-23(21)31)30-12-8-18-19(30)5-3-9-26-18/h3,5-9,12-14H,4,10-11H2,1-2H3,(H,27,31,32)
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n/an/a 2.26E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295916
PNG
(3-(6-Fluoro-1-(3-(dimethylamino)propyl)-1H-indol-3...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)n2ccc3ncccc23)c2ccc(F)cc12 |t:9|
Show InChI InChI=1S/C24H22FN5O2/c1-28(2)10-4-11-29-14-17(16-7-6-15(25)13-20(16)29)21-22(24(32)27-23(21)31)30-12-8-18-19(30)5-3-9-26-18/h3,5-9,12-14H,4,10-11H2,1-2H3,(H,27,31,32)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295917
PNG
(3-(1-(3-(Piperidin-1-yl)propyl)-1H-indol-3-yl)-4-(...)
Show SMILES O=C1NC(=O)C(=C1c1cn(CCCN2CCCCC2)c2ccccc12)n1ccc2ncccc12 |c:5|
Show InChI InChI=1S/C27H27N5O2/c33-26-24(25(27(34)29-26)32-17-11-21-23(32)10-6-12-28-21)20-18-31(22-9-3-2-8-19(20)22)16-7-15-30-13-4-1-5-14-30/h2-3,6,8-12,17-18H,1,4-5,7,13-16H2,(H,29,33,34)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295913
PNG
(3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)n2ccc3ncccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C24H23N5O2/c1-27(2)12-6-13-28-15-17(16-7-3-4-8-19(16)28)21-22(24(31)26-23(21)30)29-14-10-18-20(29)9-5-11-25-18/h3-5,7-11,14-15H,6,12-13H2,1-2H3,(H,26,30,31)
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n/an/a 1.36E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295914
PNG
(3-(5-Methoxy-1-(3-(dimethylamino)propyl)-1H-indol-...)
Show SMILES COc1ccc2n(CCCN(C)C)cc(C3=C(C(=O)NC3=O)n3ccc4ncccc34)c2c1 |t:15|
Show InChI InChI=1S/C25H25N5O3/c1-28(2)11-5-12-29-15-18(17-14-16(33-3)7-8-20(17)29)22-23(25(32)27-24(22)31)30-13-9-19-21(30)6-4-10-26-19/h4,6-10,13-15H,5,11-12H2,1-3H3,(H,27,31,32)
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n/an/a 2.25E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295905
PNG
(3-(1H-Indol-3-yl)-4-(1H-pyrrolo[3,2-b]pyridin-1-yl...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)n1ccc2ncccc12 |c:5|
Show InChI InChI=1S/C19H12N4O2/c24-18-16(12-10-21-13-5-2-1-4-11(12)13)17(19(25)22-18)23-9-7-14-15(23)6-3-8-20-14/h1-10,21H,(H,22,24,25)
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n/an/a 3.06E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50295903
PNG
(3-(5-Bromo-1-(3-(1H-imidazol-1-yl)propyl)-1H-indol...)
Show SMILES Brc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)n3ccc4ncccc34)c2c1 |t:17|
Show InChI InChI=1S/C25H19BrN6O2/c26-16-4-5-20-17(13-16)18(14-31(20)10-2-9-30-12-8-27-15-30)22-23(25(34)29-24(22)33)32-11-6-19-21(32)3-1-7-28-19/h1,3-8,11-15H,2,9-10H2,(H,29,33,34)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant IKK2 expressed in Bac-to Bac baculovirus system


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50295904
PNG
(3-(1-(2-(1H-Imidazol-1-yl)ethyl)-1H-indol-3-yl)-4-...)
Show SMILES O=C1NC(=O)C(=C1c1cn(CCn2ccnc2)c2ccccc12)n1ccc2ncccc12 |c:5|
Show InChI InChI=1S/C24H18N6O2/c31-23-21(22(24(32)27-23)30-10-7-18-20(30)6-3-8-26-18)17-14-29(13-12-28-11-9-25-15-28)19-5-2-1-4-16(17)19/h1-11,14-15H,12-13H2,(H,27,31,32)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PKCE expressed in Bac-to Bac baculovirus system


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50295902
PNG
(3-(1-Methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-4-(1-(3...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|
Show InChI InChI=1S/C27H27N5O3/c1-30-16-20(25-22(30)8-4-9-28-25)24-23(26(33)29-27(24)34)19-17-32(21-7-3-2-6-18(19)21)11-5-10-31-12-14-35-15-13-31/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,29,33,34)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MEK1 expressed in Escherichia coli


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50295904
PNG
(3-(1-(2-(1H-Imidazol-1-yl)ethyl)-1H-indol-3-yl)-4-...)
Show SMILES O=C1NC(=O)C(=C1c1cn(CCn2ccnc2)c2ccccc12)n1ccc2ncccc12 |c:5|
Show InChI InChI=1S/C24H18N6O2/c31-23-21(22(24(32)27-23)30-10-7-18-20(30)6-3-8-26-18)17-14-29(13-12-28-11-9-25-15-28)19-5-2-1-4-16(17)19/h1-11,14-15H,12-13H2,(H,27,31,32)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora A expressed in Escherichia coli


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50295902
PNG
(3-(1-Methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-4-(1-(3...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|
Show InChI InChI=1S/C27H27N5O3/c1-30-16-20(25-22(30)8-4-9-28-25)24-23(26(33)29-27(24)34)19-17-32(21-7-3-2-6-18(19)21)11-5-10-31-12-14-35-15-13-31/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,29,33,34)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora A expressed in Escherichia coli


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50295903
PNG
(3-(5-Bromo-1-(3-(1H-imidazol-1-yl)propyl)-1H-indol...)
Show SMILES Brc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)n3ccc4ncccc34)c2c1 |t:17|
Show InChI InChI=1S/C25H19BrN6O2/c26-16-4-5-20-17(13-16)18(14-31(20)10-2-9-30-12-8-27-15-30)22-23(25(34)29-24(22)33)32-11-6-19-21(32)3-1-7-28-19/h1,3-8,11-15H,2,9-10H2,(H,29,33,34)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MEK1 expressed in Escherichia coli


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50295902
PNG
(3-(1-Methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-4-(1-(3...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|
Show InChI InChI=1S/C27H27N5O3/c1-30-16-20(25-22(30)8-4-9-28-25)24-23(26(33)29-27(24)34)19-17-32(21-7-3-2-6-18(19)21)11-5-10-31-12-14-35-15-13-31/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,29,33,34)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PKCE expressed in Bac-to Bac baculovirus system


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50295904
PNG
(3-(1-(2-(1H-Imidazol-1-yl)ethyl)-1H-indol-3-yl)-4-...)
Show SMILES O=C1NC(=O)C(=C1c1cn(CCn2ccnc2)c2ccccc12)n1ccc2ncccc12 |c:5|
Show InChI InChI=1S/C24H18N6O2/c31-23-21(22(24(32)27-23)30-10-7-18-20(30)6-3-8-26-18)17-14-29(13-12-28-11-9-25-15-28)19-5-2-1-4-16(17)19/h1-11,14-15H,12-13H2,(H,27,31,32)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK1 expressed in Escherichia coli


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50295904
PNG
(3-(1-(2-(1H-Imidazol-1-yl)ethyl)-1H-indol-3-yl)-4-...)
Show SMILES O=C1NC(=O)C(=C1c1cn(CCn2ccnc2)c2ccccc12)n1ccc2ncccc12 |c:5|
Show InChI InChI=1S/C24H18N6O2/c31-23-21(22(24(32)27-23)30-10-7-18-20(30)6-3-8-26-18)17-14-29(13-12-28-11-9-25-15-28)19-5-2-1-4-16(17)19/h1-11,14-15H,12-13H2,(H,27,31,32)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant IKK2 expressed in Bac-to Bac baculovirus system


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50295904
PNG
(3-(1-(2-(1H-Imidazol-1-yl)ethyl)-1H-indol-3-yl)-4-...)
Show SMILES O=C1NC(=O)C(=C1c1cn(CCn2ccnc2)c2ccccc12)n1ccc2ncccc12 |c:5|
Show InChI InChI=1S/C24H18N6O2/c31-23-21(22(24(32)27-23)30-10-7-18-20(30)6-3-8-26-18)17-14-29(13-12-28-11-9-25-15-28)19-5-2-1-4-16(17)19/h1-11,14-15H,12-13H2,(H,27,31,32)
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MEK1 expressed in Escherichia coli


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50295903
PNG
(3-(5-Bromo-1-(3-(1H-imidazol-1-yl)propyl)-1H-indol...)
Show SMILES Brc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)n3ccc4ncccc34)c2c1 |t:17|
Show InChI InChI=1S/C25H19BrN6O2/c26-16-4-5-20-17(13-16)18(14-31(20)10-2-9-30-12-8-27-15-30)22-23(25(34)29-24(22)33)32-11-6-19-21(32)3-1-7-28-19/h1,3-8,11-15H,2,9-10H2,(H,29,33,34)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora A expressed in Escherichia coli


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50295903
PNG
(3-(5-Bromo-1-(3-(1H-imidazol-1-yl)propyl)-1H-indol...)
Show SMILES Brc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)n3ccc4ncccc34)c2c1 |t:17|
Show InChI InChI=1S/C25H19BrN6O2/c26-16-4-5-20-17(13-16)18(14-31(20)10-2-9-30-12-8-27-15-30)22-23(25(34)29-24(22)33)32-11-6-19-21(32)3-1-7-28-19/h1,3-8,11-15H,2,9-10H2,(H,29,33,34)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PKCE expressed in Bac-to Bac baculovirus system


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50295903
PNG
(3-(5-Bromo-1-(3-(1H-imidazol-1-yl)propyl)-1H-indol...)
Show SMILES Brc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)n3ccc4ncccc34)c2c1 |t:17|
Show InChI InChI=1S/C25H19BrN6O2/c26-16-4-5-20-17(13-16)18(14-31(20)10-2-9-30-12-8-27-15-30)22-23(25(34)29-24(22)33)32-11-6-19-21(32)3-1-7-28-19/h1,3-8,11-15H,2,9-10H2,(H,29,33,34)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK1 expressed in Escherichia coli


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50295902
PNG
(3-(1-Methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-4-(1-(3...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|
Show InChI InChI=1S/C27H27N5O3/c1-30-16-20(25-22(30)8-4-9-28-25)24-23(26(33)29-27(24)34)19-17-32(21-7-3-2-6-18(19)21)11-5-10-31-12-14-35-15-13-31/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,29,33,34)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant IKK2 expressed in Bac-to Bac baculovirus system


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50295902
PNG
(3-(1-Methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-4-(1-(3...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|
Show InChI InChI=1S/C27H27N5O3/c1-30-16-20(25-22(30)8-4-9-28-25)24-23(26(33)29-27(24)34)19-17-32(21-7-3-2-6-18(19)21)11-5-10-31-12-14-35-15-13-31/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,29,33,34)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK1 expressed in Escherichia coli


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295901
PNG
(3-(1-(3-(1H-Imidazol-1-yl)propyl)-1H-indol-3-yl)-1...)
Show SMILES O=C1N(C(=O)C(=C1c1cn(CCCn2ccnc2)c2ccccc12)n1ccc2ncccc12)c1ccccc1 |c:5|
Show InChI InChI=1S/C31H24N6O2/c38-30-28(24-20-35(26-11-5-4-10-23(24)26)17-7-16-34-19-15-32-21-34)29(31(39)37(30)22-8-2-1-3-9-22)36-18-13-25-27(36)12-6-14-33-25/h1-6,8-15,18-21H,7,16-17H2
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n/an/a>7.33E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%