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Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'dunn' and Initial = 'ak'   
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
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254432
PNG
(1-(2-methyl-5-(morpholinosulfonyl)furan-3-yl)-3-ph...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C16H19N3O5S/c1-12-14(18-16(20)17-13-5-3-2-4-6-13)11-15(24-12)25(21,22)19-7-9-23-10-8-19/h2-6,11H,7-10H2,1H3,(H2,17,18,20)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254434
PNG
(5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid...)
Show SMILES COCCN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1
Show InChI InChI=1S/C16H21N3O5S/c1-12-14(18-16(20)17-13-7-5-4-6-8-13)11-15(24-12)25(21,22)19(2)9-10-23-3/h4-8,11H,9-10H2,1-3H3,(H2,17,18,20)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254343
PNG
((S)-1-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-...)
Show SMILES C[C@H](NC(=O)Nc1cc(oc1C)S(=O)(=O)N1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H25N3O4S/c1-14(16-9-5-3-6-10-16)20-19(23)21-17-13-18(26-15(17)2)27(24,25)22-11-7-4-8-12-22/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H2,20,21,23)/t14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254290
PNG
(1-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-yl)-...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254436
PNG
(5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid...)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1
Show InChI InChI=1S/C14H17N3O4S/c1-10-12(9-13(21-10)22(19,20)17(2)3)16-14(18)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H2,15,16,18)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254339
PNG
(1-(4-methoxyphenyl)-3-(2-methyl-5-(piperidin-1-yls...)
Show SMILES COc1ccc(NC(=O)Nc2cc(oc2C)S(=O)(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C18H23N3O5S/c1-13-16(20-18(22)19-14-6-8-15(25-2)9-7-14)12-17(26-13)27(23,24)21-10-4-3-5-11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H2,19,20,22)
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254340
PNG
(1-(4-chlorophenyl)-3-(2-methyl-5-(piperidin-1-ylsu...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H20ClN3O4S/c1-12-15(20-17(22)19-14-7-5-13(18)6-8-14)11-16(25-12)26(23,24)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H2,19,20,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254339
PNG
(1-(4-methoxyphenyl)-3-(2-methyl-5-(piperidin-1-yls...)
Show SMILES COc1ccc(NC(=O)Nc2cc(oc2C)S(=O)(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C18H23N3O5S/c1-13-16(20-18(22)19-14-6-8-15(25-2)9-7-14)12-17(26-13)27(23,24)21-10-4-3-5-11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H2,19,20,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254341
PNG
(1-(2-chlorophenyl)-3-(2-methyl-5-(piperidin-1-ylsu...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1Cl)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H20ClN3O4S/c1-12-15(20-17(22)19-14-8-4-3-7-13(14)18)11-16(25-12)26(23,24)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,19,20,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254290
PNG
(1-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-yl)-...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254432
PNG
(1-(2-methyl-5-(morpholinosulfonyl)furan-3-yl)-3-ph...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C16H19N3O5S/c1-12-14(18-16(20)17-13-5-3-2-4-6-13)11-15(24-12)25(21,22)19-7-9-23-10-8-19/h2-6,11H,7-10H2,1H3,(H2,17,18,20)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254393
PNG
(1-benzhydryl-3-(2-methyl-5-(piperidin-1-ylsulfonyl...)
Show SMILES Cc1oc(cc1NC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H27N3O4S/c1-18-21(17-22(31-18)32(29,30)27-15-9-4-10-16-27)25-24(28)26-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,17,23H,4,9-10,15-16H2,1H3,(H2,25,26,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254340
PNG
(1-(4-chlorophenyl)-3-(2-methyl-5-(piperidin-1-ylsu...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H20ClN3O4S/c1-12-15(20-17(22)19-14-7-5-13(18)6-8-14)11-16(25-12)26(23,24)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H2,19,20,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM86638
PNG
Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12
Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254434
PNG
(5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid...)
Show SMILES COCCN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1
Show InChI InChI=1S/C16H21N3O5S/c1-12-14(18-16(20)17-13-7-5-4-6-8-13)11-15(24-12)25(21,22)19(2)9-10-23-3/h4-8,11H,9-10H2,1-3H3,(H2,17,18,20)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50411407
PNG
(CHEMBL232610)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)c1ccn[nH]1)c1cccc2ccccc12
Show InChI InChI=1S/C23H17N5O2S/c24-13-18-17-9-4-12-28(22(30)19-10-11-25-27-19)23(17)31-21(18)26-20(29)16-8-3-6-14-5-1-2-7-15(14)16/h1-3,5-8,10-11H,4,9,12H2,(H,25,27)(H,26,29)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254436
PNG
(5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid...)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1
Show InChI InChI=1S/C14H17N3O4S/c1-10-12(9-13(21-10)22(19,20)17(2)3)16-14(18)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H2,15,16,18)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM86638
PNG
Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12
Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human JNK2alpha2


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human JNK2alpha2


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254341
PNG
(1-(2-chlorophenyl)-3-(2-methyl-5-(piperidin-1-ylsu...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1Cl)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H20ClN3O4S/c1-12-15(20-17(22)19-14-8-4-3-7-13(14)18)11-16(25-12)26(23,24)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,19,20,22)
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n/an/a 320n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50411413
PNG
(CHEMBL234838)
Show SMILES Fc1ccccc1C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C16H13FN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254343
PNG
((S)-1-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-...)
Show SMILES C[C@H](NC(=O)Nc1cc(oc1C)S(=O)(=O)N1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H25N3O4S/c1-14(16-9-5-3-6-10-16)20-19(23)21-17-13-18(26-15(17)2)27(24,25)22-11-7-4-8-12-22/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H2,20,21,23)/t14-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254435
PNG
(5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17N3O4S/c1-13-16(20-18(22)19-14-8-4-2-5-9-14)12-17(25-13)26(23,24)21-15-10-6-3-7-11-15/h2-12,21H,1H3,(H2,19,20,22)
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n/an/a 400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254433
PNG
(1-(2-methyl-5-(4-methylpiperazin-1-ylsulfonyl)fura...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1
Show InChI InChI=1S/C17H22N4O4S/c1-13-15(19-17(22)18-14-6-4-3-5-7-14)12-16(25-13)26(23,24)21-10-8-20(2)9-11-21/h3-7,12H,8-11H2,1-2H3,(H2,18,19,22)
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n/an/a 500n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50411417
PNG
(CHEMBL391656)
Show SMILES O=C(Nc1sc2N(Cc3cccnc3)CCCc2c1C#N)c1cccc2ccccc12
Show InChI InChI=1S/C25H20N4OS/c26-14-22-21-11-5-13-29(16-17-6-4-12-27-15-17)25(21)31-24(22)28-23(30)20-10-3-8-18-7-1-2-9-19(18)20/h1-4,6-10,12,15H,5,11,13,16H2,(H,28,30)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50411411
PNG
(CHEMBL397356)
Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1ccsc1
Show InChI InChI=1S/C14H12N2OS2/c15-7-11-10-3-1-2-4-12(10)19-14(11)16-13(17)9-5-6-18-8-9/h5-6,8H,1-4H2,(H,16,17)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50411408
PNG
(CHEMBL391655)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCc3c2sc(NC(=O)c2cccc4ccccc24)c3C#N)cc1
Show InChI InChI=1S/C27H23N3O3S2/c1-35(32,33)20-13-11-18(12-14-20)17-30-15-5-10-23-24(16-28)26(34-27(23)30)29-25(31)22-9-4-7-19-6-2-3-8-21(19)22/h2-4,6-9,11-14H,5,10,15,17H2,1H3,(H,29,31)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50411419
PNG
(CHEMBL233002 | SB-814597)
Show SMILES Fc1ccc(C(=O)Nc2sc3CCCCc3c2C#N)c2ccccc12
Show InChI InChI=1S/C20H15FN2OS/c21-17-10-9-15(12-5-1-2-6-13(12)17)19(24)23-20-16(11-22)14-7-3-4-8-18(14)25-20/h1-2,5-6,9-10H,3-4,7-8H2,(H,23,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254435
PNG
(5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17N3O4S/c1-13-16(20-18(22)19-14-8-4-2-5-9-14)12-17(25-13)26(23,24)21-15-10-6-3-7-11-15/h2-12,21H,1H3,(H2,19,20,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254433
PNG
(1-(2-methyl-5-(4-methylpiperazin-1-ylsulfonyl)fura...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1
Show InChI InChI=1S/C17H22N4O4S/c1-13-15(19-17(22)18-14-6-4-3-5-7-14)12-16(25-13)26(23,24)21-10-8-20(2)9-11-21/h3-7,12H,8-11H2,1-2H3,(H2,18,19,22)
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n/an/a 1.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50241256
PNG
(CHEMBL233000 | N-(3-cyano-4,5,6,7-tetrahydrobenzo[...)
Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1ccccc1
Show InChI InChI=1S/C16H14N2OS/c17-10-13-12-8-4-5-9-14(12)20-16(13)18-15(19)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2,(H,18,19)
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n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50411405
PNG
(CHEMBL233794)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)S(=O)(=O)c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C25H19N3O3S2/c26-16-22-21-14-7-15-28(33(30,31)18-10-2-1-3-11-18)25(21)32-24(22)27-23(29)20-13-6-9-17-8-4-5-12-19(17)20/h1-6,8-13H,7,14-15H2,(H,27,29)
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n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254393
PNG
(1-benzhydryl-3-(2-methyl-5-(piperidin-1-ylsulfonyl...)
Show SMILES Cc1oc(cc1NC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H27N3O4S/c1-18-21(17-22(31-18)32(29,30)27-15-9-4-10-16-27)25-24(28)26-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,17,23H,4,9-10,15-16H2,1H3,(H2,25,26,28)
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n/an/a 2.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50253974
PNG
(1-phenyl-3-(5-(piperidin-1-ylsulfonyl)furan-3-yl)u...)
Show SMILES O=C(Nc1coc(c1)S(=O)(=O)N1CCCCC1)Nc1ccccc1
Show InChI InChI=1S/C16H19N3O4S/c20-16(17-13-7-3-1-4-8-13)18-14-11-15(23-12-14)24(21,22)19-9-5-2-6-10-19/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,17,18,20)
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n/an/a 2.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50411421
PNG
(CHEMBL232600)
Show SMILES CN(C)CC(=O)N1CCc2c(C1)sc(NC(=O)c1cccc3ccccc13)c2C#N
Show InChI InChI=1S/C23H22N4O2S/c1-26(2)14-21(28)27-11-10-17-19(12-24)23(30-20(17)13-27)25-22(29)18-9-5-7-15-6-3-4-8-16(15)18/h3-9H,10-11,13-14H2,1-2H3,(H,25,29)
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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50411410
PNG
(CHEMBL398601)
Show SMILES O=C(Nc1sc2CN(CCc2c1C#N)S(=O)(=O)c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C25H19N3O3S2/c26-15-22-20-13-14-28(33(30,31)18-9-2-1-3-10-18)16-23(20)32-25(22)27-24(29)21-12-6-8-17-7-4-5-11-19(17)21/h1-12H,13-14,16H2,(H,27,29)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50411414
PNG
(CHEMBL397570 | SB-347804)
Show SMILES Fc1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C16H13FN2OS/c17-11-7-5-10(6-8-11)15(20)19-16-13(9-18)12-3-1-2-4-14(12)21-16/h5-8H,1-4H2,(H,19,20)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50411416
PNG
(CHEMBL234839)
Show SMILES Brc1ccccc1C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C16H13BrN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50411415
PNG
(CHEMBL232599)
Show SMILES O=C(CCN1CCCCC1)N1CCc2c(C1)sc(NC(=O)c1cccc3ccccc13)c2C#N
Show InChI InChI=1S/C27H28N4O2S/c28-17-23-21-11-16-31(25(32)12-15-30-13-4-1-5-14-30)18-24(21)34-27(23)29-26(33)22-10-6-8-19-7-2-3-9-20(19)22/h2-3,6-10H,1,4-5,11-16,18H2,(H,29,33)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human truncated JNK3


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lipoprotein lipase


(Rattus norvegicus)
BDBM50253974
PNG
(1-phenyl-3-(5-(piperidin-1-ylsulfonyl)furan-3-yl)u...)
Show SMILES O=C(Nc1coc(c1)S(=O)(=O)N1CCCCC1)Nc1ccccc1
Show InChI InChI=1S/C16H19N3O4S/c20-16(17-13-7-3-1-4-8-13)18-14-11-15(23-12-14)24(21,22)19-9-5-2-6-10-19/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,17,18,20)
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n/an/a 4.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50411415
PNG
(CHEMBL232599)
Show SMILES O=C(CCN1CCCCC1)N1CCc2c(C1)sc(NC(=O)c1cccc3ccccc13)c2C#N
Show InChI InChI=1S/C27H28N4O2S/c28-17-23-21-11-16-31(25(32)12-15-30-13-4-1-5-14-30)18-24(21)34-27(23)29-26(33)22-10-6-8-19-7-2-3-9-20(19)22/h2-3,6-10H,1,4-5,11-16,18H2,(H,29,33)
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n/an/a 5.01E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human JNK2alpha2


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM86638
PNG
Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12
Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50411417
PNG
(CHEMBL391656)
Show SMILES O=C(Nc1sc2N(Cc3cccnc3)CCCc2c1C#N)c1cccc2ccccc12
Show InChI InChI=1S/C25H20N4OS/c26-14-22-21-11-5-13-29(16-17-6-4-12-27-15-17)25(21)31-24(22)28-23(30)20-10-3-8-18-7-1-2-9-19(18)20/h1-4,6-10,12,15H,5,11,13,16H2,(H,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length JNK1alpha1


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50411408
PNG
(CHEMBL391655)
Show SMILES CS(=O)(=O)c1ccc(CN2CCCc3c2sc(NC(=O)c2cccc4ccccc24)c3C#N)cc1
Show InChI InChI=1S/C27H23N3O3S2/c1-35(32,33)20-13-11-18(12-14-20)17-30-15-5-10-23-24(16-28)26(34-27(23)30)29-25(31)22-9-4-7-19-6-2-3-8-21(19)22/h2-4,6-9,11-14H,5,10,15,17H2,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length JNK1alpha1


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50411410
PNG
(CHEMBL398601)
Show SMILES O=C(Nc1sc2CN(CCc2c1C#N)S(=O)(=O)c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C25H19N3O3S2/c26-15-22-20-13-14-28(33(30,31)18-9-2-1-3-10-18)16-23(20)32-25(22)27-24(29)21-12-6-8-17-7-4-5-11-19(17)21/h1-12H,13-14,16H2,(H,27,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length ERK2


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM86638
PNG
Show SMILES O=C(Nc1sc2CCCCc2c1C#N)c1cccc2ccccc12
Show InChI InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50411406
PNG
(CHEMBL232601)
Show SMILES O=C(Nc1sc2N(CCCc2c1C#N)C(=O)C1CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Alk5


Bioorg Med Chem Lett 17: 1296-301 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.003
BindingDB Entry DOI: 10.7270/Q2TB1840
More data for this
Ligand-Target Pair
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