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PubMed code 17350261

Compile data set for download or QSAR
Found 16 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))
BDBM50371215
PNG
(CHEMBL1162963)
Show SMILES CN(C)c1nc2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc1cc2)c1ccccc41)c1ccccc31 |t:11|
Show InChI InChI=1S/C32H29N5O2/c1-35(2)30-20-8-7-16-36-18-24(22-9-3-5-11-26(22)36)28-29(32(39)34-31(28)38)25-19-37(17-15-21(33-30)14-13-20)27-12-6-4-10-23(25)27/h3-6,9-14,18-19H,7-8,15-17H2,1-2H3,(H,34,38,39)
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n/an/a 3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


Bioorg Med Chem Lett 17: 2863-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.059
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50207805
PNG
(20-(dimethylamino)-4,14,19,26-tetraazaheptacyclo[2...)
Show SMILES CN(C)c1cc2CCCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc(c2)n1)c1ccccc41)c1ccccc31 |t:12|
Show InChI InChI=1S/C33H31N5O2/c1-36(2)29-18-21-9-7-15-37-19-25(23-11-3-5-13-27(23)37)30-31(33(40)35-32(30)39)26-20-38(16-8-10-22(17-21)34-29)28-14-6-4-12-24(26)28/h3-6,11-14,17-20H,7-10,15-16H2,1-2H3,(H,35,39,40)
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n/an/a 7n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


Bioorg Med Chem Lett 17: 2863-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.059
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50207804
PNG
(20-(pyrrolidin-1-yl)-4,14,19,26-tetraazaheptacyclo...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCCc3cc(CCCn4cc2c2ccccc42)nc(c3)N2CCCC2)c2ccccc12 |c:5|
Show InChI InChI=1S/C35H33N5O2/c41-34-32-27-21-39(29-13-3-1-11-25(27)29)17-7-9-23-19-24(36-31(20-23)38-15-5-6-16-38)10-8-18-40-22-28(33(32)35(42)37-34)26-12-2-4-14-30(26)40/h1-4,11-14,19-22H,5-10,15-18H2,(H,37,41,42)
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n/an/a 11n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


Bioorg Med Chem Lett 17: 2863-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.059
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50207808
PNG
(33-(pyrrolidin-1-yl)-6,16,26,32-tetraazaheptacyclo...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCCCc3ccc(CCCCn4cc2c2ccccc42)c(n3)N2CCCC2)c2ccccc12 |c:5|
Show InChI InChI=1S/C37H37N5O2/c43-36-33-29-23-41(31-15-3-1-13-27(29)31)21-7-5-11-25-17-18-26(38-35(25)40-19-9-10-20-40)12-6-8-22-42-24-30(34(33)37(44)39-36)28-14-2-4-16-32(28)42/h1-4,13-18,23-24H,5-12,19-22H2,(H,39,43,44)
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n/an/a 24n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


Bioorg Med Chem Lett 17: 2863-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.059
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50207807
PNG
(31-(pyrrolidin-1-yl)-5,15,25,30-tetraazaheptacyclo...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCCc3ccc(CCCn4cc2c2ccccc42)c(n3)N2CCCC2)c2ccccc12 |c:5|
Show InChI InChI=1S/C35H33N5O2/c41-34-31-27-21-39(29-13-3-1-11-25(27)29)19-7-9-23-15-16-24(36-33(23)38-17-5-6-18-38)10-8-20-40-22-28(32(31)35(42)37-34)26-12-2-4-14-30(26)40/h1-4,11-16,21-22H,5-10,17-20H2,(H,37,41,42)
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n/an/a 30n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


Bioorg Med Chem Lett 17: 2863-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.059
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50207806
PNG
(31-(dimethylamino)-5,15,25,30-tetraazaheptacyclo[2...)
Show SMILES CN(C)c1nc2CCCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc1cc2)c1ccccc41)c1ccccc31 |t:12|
Show InChI InChI=1S/C33H31N5O2/c1-36(2)31-21-9-7-17-37-19-25(23-11-3-5-13-27(23)37)29-30(33(40)35-32(29)39)26-20-38(28-14-6-4-12-24(26)28)18-8-10-22(34-31)16-15-21/h3-6,11-16,19-20H,7-10,17-18H2,1-2H3,(H,35,39,40)
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n/an/a 37n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta


Bioorg Med Chem Lett 17: 2863-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.059
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50371215
PNG
(CHEMBL1162963)
Show SMILES CN(C)c1nc2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc1cc2)c1ccccc41)c1ccccc31 |t:11|
Show InChI InChI=1S/C32H29N5O2/c1-35(2)30-20-8-7-16-36-18-24(22-9-3-5-11-26(22)36)28-29(32(39)34-31(28)38)25-19-37(17-15-21(33-30)14-13-20)27-12-6-4-10-23(25)27/h3-6,9-14,18-19H,7-8,15-17H2,1-2H3,(H,34,38,39)
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n/an/a 48n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human Rsk3


Bioorg Med Chem Lett 17: 2863-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.059
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50371215
PNG
(CHEMBL1162963)
Show SMILES CN(C)c1nc2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc1cc2)c1ccccc41)c1ccccc31 |t:11|
Show InChI InChI=1S/C32H29N5O2/c1-35(2)30-20-8-7-16-36-18-24(22-9-3-5-11-26(22)36)28-29(32(39)34-31(28)38)25-19-37(17-15-21(33-30)14-13-20)27-12-6-4-10-23(25)27/h3-6,9-14,18-19H,7-8,15-17H2,1-2H3,(H,34,38,39)
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n/an/a 98n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human PKCtheta


Bioorg Med Chem Lett 17: 2863-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.059
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (Human))
BDBM50371215
PNG
(CHEMBL1162963)
Show SMILES CN(C)c1nc2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc1cc2)c1ccccc41)c1ccccc31 |t:11|
Show InChI InChI=1S/C32H29N5O2/c1-35(2)30-20-8-7-16-36-18-24(22-9-3-5-11-26(22)36)28-29(32(39)34-31(28)38)25-19-37(17-15-21(33-30)14-13-20)27-12-6-4-10-23(25)27/h3-6,9-14,18-19H,7-8,15-17H2,1-2H3,(H,34,38,39)
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n/an/a 510n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MSK1


Bioorg Med Chem Lett 17: 2863-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.059
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM50371215
PNG
(CHEMBL1162963)
Show SMILES CN(C)c1nc2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc1cc2)c1ccccc41)c1ccccc31 |t:11|
Show InChI InChI=1S/C32H29N5O2/c1-35(2)30-20-8-7-16-36-18-24(22-9-3-5-11-26(22)36)28-29(32(39)34-31(28)38)25-19-37(17-15-21(33-30)14-13-20)27-12-6-4-10-23(25)27/h3-6,9-14,18-19H,7-8,15-17H2,1-2H3,(H,34,38,39)
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n/an/a 850n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human Rsk2


Bioorg Med Chem Lett 17: 2863-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.059
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50207804
PNG
(20-(pyrrolidin-1-yl)-4,14,19,26-tetraazaheptacyclo...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCCc3cc(CCCn4cc2c2ccccc42)nc(c3)N2CCCC2)c2ccccc12 |c:5|
Show InChI InChI=1S/C35H33N5O2/c41-34-32-27-21-39(29-13-3-1-11-25(27)29)17-7-9-23-19-24(36-31(20-23)38-15-5-6-16-38)10-8-18-40-22-28(33(32)35(42)37-34)26-12-2-4-14-30(26)40/h1-4,11-14,19-22H,5-10,15-18H2,(H,37,41,42)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCbeta2


Bioorg Med Chem Lett 17: 2863-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.059
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50371215
PNG
(CHEMBL1162963)
Show SMILES CN(C)c1nc2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc1cc2)c1ccccc41)c1ccccc31 |t:11|
Show InChI InChI=1S/C32H29N5O2/c1-35(2)30-20-8-7-16-36-18-24(22-9-3-5-11-26(22)36)28-29(32(39)34-31(28)38)25-19-37(17-15-21(33-30)14-13-20)27-12-6-4-10-23(25)27/h3-6,9-14,18-19H,7-8,15-17H2,1-2H3,(H,34,38,39)
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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
Inhibition of human recombinant PKCbeta2


Bioorg Med Chem Lett 17: 2863-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.059
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50371215
PNG
(CHEMBL1162963)
Show SMILES CN(C)c1nc2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc1cc2)c1ccccc41)c1ccccc31 |t:11|
Show InChI InChI=1S/C32H29N5O2/c1-35(2)30-20-8-7-16-36-18-24(22-9-3-5-11-26(22)36)28-29(32(39)34-31(28)38)25-19-37(17-15-21(33-30)14-13-20)27-12-6-4-10-23(25)27/h3-6,9-14,18-19H,7-8,15-17H2,1-2H3,(H,34,38,39)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human Rsk1


Bioorg Med Chem Lett 17: 2863-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.059
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50207807
PNG
(31-(pyrrolidin-1-yl)-5,15,25,30-tetraazaheptacyclo...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCCc3ccc(CCCn4cc2c2ccccc42)c(n3)N2CCCC2)c2ccccc12 |c:5|
Show InChI InChI=1S/C35H33N5O2/c41-34-31-27-21-39(29-13-3-1-11-25(27)29)19-7-9-23-15-16-24(36-33(23)38-17-5-6-18-38)10-8-20-40-22-28(32(31)35(42)37-34)26-12-2-4-14-30(26)40/h1-4,11-16,21-22H,5-10,17-20H2,(H,37,41,42)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCbeta2


Bioorg Med Chem Lett 17: 2863-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.059
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50207805
PNG
(20-(dimethylamino)-4,14,19,26-tetraazaheptacyclo[2...)
Show SMILES CN(C)c1cc2CCCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc(c2)n1)c1ccccc41)c1ccccc31 |t:12|
Show InChI InChI=1S/C33H31N5O2/c1-36(2)29-18-21-9-7-15-37-19-25(23-11-3-5-13-27(23)37)30-31(33(40)35-32(30)39)26-20-38(16-8-10-22(17-21)34-29)28-14-6-4-12-24(26)28/h3-6,11-14,17-20H,7-10,15-16H2,1-2H3,(H,35,39,40)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCbeta2


Bioorg Med Chem Lett 17: 2863-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.059
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50371215
PNG
(CHEMBL1162963)
Show SMILES CN(C)c1nc2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCCc1cc2)c1ccccc41)c1ccccc31 |t:11|
Show InChI InChI=1S/C32H29N5O2/c1-35(2)30-20-8-7-16-36-18-24(22-9-3-5-11-26(22)36)28-29(32(39)34-31(28)38)25-19-37(17-15-21(33-30)14-13-20)27-12-6-4-10-23(25)27/h3-6,9-14,18-19H,7-8,15-17H2,1-2H3,(H,34,38,39)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human TrkB


Bioorg Med Chem Lett 17: 2863-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.059
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%