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Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'suarez' and Initial = 'dp'   
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
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50400781
PNG
(CHEMBL2204997)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(C)CC1
Show InChI InChI=1S/C31H39N7O2/c1-6-7-22-14-21(4)35-31(40)26(22)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)23-8-9-29(32-17-23)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EZH2-mediated proliferation of human LNCaP cells after 6 days by chemiluminescence analysis


ACS Med Chem Lett 3: 1091-1096 (2012)


Article DOI: 10.1021/ml3003346
BindingDB Entry DOI: 10.7270/Q2NK3G60
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)
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
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))
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))
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
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
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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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))
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
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50400778
PNG
(CHEMBL2204995)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccnc(c1)N1CCN(C)CC1
Show InChI InChI=1S/C31H39N7O2/c1-6-7-23-14-21(4)35-31(40)26(23)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)22-8-9-32-29(17-22)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EZH2-mediated proliferation of human LNCaP cells after 6 days by chemiluminescence analysis


ACS Med Chem Lett 3: 1091-1096 (2012)


Article DOI: 10.1021/ml3003346
BindingDB Entry DOI: 10.7270/Q2NK3G60
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
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
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
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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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
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50400779
PNG
(CHEMBL2204998)
Show SMILES CC(C)n1ncc2c(cc(cc12)-c1ccc(nc1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C29H35N7O2/c1-18(2)36-26-14-22(21-6-7-27(30-15-21)35-10-8-34(5)9-11-35)13-23(25(26)17-32-36)28(37)31-16-24-19(3)12-20(4)33-29(24)38/h6-7,12-15,17-18H,8-11,16H2,1-5H3,(H,31,37)(H,33,38)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EZH2-mediated proliferation of human LNCaP cells after 6 days by chemiluminescence analysis


ACS Med Chem Lett 3: 1091-1096 (2012)


Article DOI: 10.1021/ml3003346
BindingDB Entry DOI: 10.7270/Q2NK3G60
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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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)
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)
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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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))
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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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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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
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50400780
PNG
(CHEMBL2204996)
Show SMILES CC(C)n1ncc2c(cc(cc12)-c1ccnc(c1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C29H35N7O2/c1-18(2)36-26-14-22(21-6-7-30-27(15-21)35-10-8-34(5)9-11-35)13-23(25(26)17-32-36)28(37)31-16-24-19(3)12-20(4)33-29(24)38/h6-7,12-15,17-18H,8-11,16H2,1-5H3,(H,31,37)(H,33,38)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EZH2-mediated proliferation of human LNCaP cells after 6 days by chemiluminescence analysis


ACS Med Chem Lett 3: 1091-1096 (2012)


Article DOI: 10.1021/ml3003346
BindingDB Entry DOI: 10.7270/Q2NK3G60
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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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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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
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50400782
PNG
(CHEMBL2204999)
Show SMILES CC(C)n1ncc2c(cc(cc12)C1CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C22H26N4O2/c1-12(2)26-20-9-16(15-5-6-15)8-17(19(20)11-24-26)21(27)23-10-18-13(3)7-14(4)25-22(18)28/h7-9,11-12,15H,5-6,10H2,1-4H3,(H,23,27)(H,25,28)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EZH2-mediated proliferation of human LNCaP cells after 6 days by chemiluminescence analysis


ACS Med Chem Lett 3: 1091-1096 (2012)


Article DOI: 10.1021/ml3003346
BindingDB Entry DOI: 10.7270/Q2NK3G60
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50400778
PNG
(CHEMBL2204995)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccnc(c1)N1CCN(C)CC1
Show InChI InChI=1S/C31H39N7O2/c1-6-7-23-14-21(4)35-31(40)26(23)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)22-8-9-32-29(17-22)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EZH2-mediated proliferation of human LNCaP cells after 6 days by chemiluminescence analysis


ACS Med Chem Lett 3: 1091-1096 (2012)


Article DOI: 10.1021/ml3003346
BindingDB Entry DOI: 10.7270/Q2NK3G60
More data for this
Ligand-Target Pair
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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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
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50400779
PNG
(CHEMBL2204998)
Show SMILES CC(C)n1ncc2c(cc(cc12)-c1ccc(nc1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C29H35N7O2/c1-18(2)36-26-14-22(21-6-7-27(30-15-21)35-10-8-34(5)9-11-35)13-23(25(26)17-32-36)28(37)31-16-24-19(3)12-20(4)33-29(24)38/h6-7,12-15,17-18H,8-11,16H2,1-5H3,(H,31,37)(H,33,38)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EZH2-mediated proliferation of human LNCaP cells after 6 days by chemiluminescence analysis


ACS Med Chem Lett 3: 1091-1096 (2012)


Article DOI: 10.1021/ml3003346
BindingDB Entry DOI: 10.7270/Q2NK3G60
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50400783
PNG
(CHEMBL1608462)
Show SMILES CC(C)n1ncc2c(cc(nc12)C1CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C21H25N5O2/c1-11(2)26-19-17(10-23-26)15(8-18(25-19)14-5-6-14)20(27)22-9-16-12(3)7-13(4)24-21(16)28/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,22,27)(H,24,28)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EZH2-mediated proliferation of human LNCaP cells after 6 days by chemiluminescence analysis


ACS Med Chem Lett 3: 1091-1096 (2012)


Article DOI: 10.1021/ml3003346
BindingDB Entry DOI: 10.7270/Q2NK3G60
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254396
PNG
(1-methyl-1-(2-methyl-5-(piperidin-1-ylsulfonyl)fur...)
Show SMILES CN(C(=O)Nc1ccccc1)c1cc(oc1C)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C18H23N3O4S/c1-14-16(20(2)18(22)19-15-9-5-3-6-10-15)13-17(25-14)26(23,24)21-11-7-4-8-12-21/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,19,22)
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n/an/a 1.60E+4n/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))
BDBM50254396
PNG
(1-methyl-1-(2-methyl-5-(piperidin-1-ylsulfonyl)fur...)
Show SMILES CN(C(=O)Nc1ccccc1)c1cc(oc1C)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C18H23N3O4S/c1-14-16(20(2)18(22)19-15-9-5-3-6-10-15)13-17(25-14)26(23,24)21-11-7-4-8-12-21/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,19,22)
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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
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
BDBM50400781
PNG
(CHEMBL2204997)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(C)CC1
Show InChI InChI=1S/C31H39N7O2/c1-6-7-22-14-21(4)35-31(40)26(22)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)23-8-9-29(32-17-23)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of SET7 using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins


ACS Med Chem Lett 3: 1091-1096 (2012)


Article DOI: 10.1021/ml3003346
BindingDB Entry DOI: 10.7270/Q2NK3G60
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254394
PNG
(1-methyl-3-(2-methyl-5-(piperidin-1-ylsulfonyl)fur...)
Show SMILES CN(C(=O)Nc1cc(oc1C)S(=O)(=O)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H23N3O4S/c1-14-16(19-18(22)20(2)15-9-5-3-6-10-15)13-17(25-14)26(23,24)21-11-7-4-8-12-21/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,19,22)
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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))
BDBM50254342
PNG
(1-benzyl-3-(2-methyl-5-(piperidin-1-ylsulfonyl)fur...)
Show SMILES Cc1oc(cc1NC(=O)NCc1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C18H23N3O4S/c1-14-16(20-18(22)19-13-15-8-4-2-5-9-15)12-17(25-14)26(23,24)21-10-6-3-7-11-21/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(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
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254043
PNG
(1-(2-methyl-6-(piperidin-1-ylsulfonyl)pyridin-3-yl...)
Show SMILES Cc1nc(ccc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C18H22N4O3S/c1-14-16(21-18(23)20-15-8-4-2-5-9-15)10-11-17(19-14)26(24,25)22-12-6-3-7-13-22/h2,4-5,8-11H,3,6-7,12-13H2,1H3,(H2,20,21,23)
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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)
BDBM50253986
PNG
(1-(2-methyl-4-(morpholinosulfonyl)phenyl)-3-phenyl...)
Show SMILES Cc1cc(ccc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H21N3O4S/c1-14-13-16(26(23,24)21-9-11-25-12-10-21)7-8-17(14)20-18(22)19-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(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
Lipoprotein lipase


(Rattus norvegicus)
BDBM50253977
PNG
(1-(1-methyl-3-(piperidin-1-ylsulfonyl)-1H-pyrazol-...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C16H21N5O3S/c1-20-14(18-16(22)17-13-8-4-2-5-9-13)12-15(19-20)25(23,24)21-10-6-3-7-11-21/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,17,18,22)
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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
Lipoprotein lipase


(Rattus norvegicus)
BDBM50253976
PNG
(1-(1,2-dimethyl-5-(piperidin-1-ylsulfonyl)-1H-pyrr...)
Show SMILES Cc1c(NC(=O)Nc2ccccc2)cc(n1C)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C18H24N4O3S/c1-14-16(20-18(23)19-15-9-5-3-6-10-15)13-17(21(14)2)26(24,25)22-11-7-4-8-12-22/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H2,19,20,23)
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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)
BDBM50253975
PNG
(1-(2-methyl-5-(piperidin-1-ylsulfonyl)-1H-pyrrol-3...)
Show SMILES Cc1[nH]c(cc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H22N4O3S/c1-13-15(20-17(22)19-14-8-4-2-5-9-14)12-16(18-13)25(23,24)21-10-6-3-7-11-21/h2,4-5,8-9,12,18H,3,6-7,10-11H2,1H3,(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
Lipoprotein lipase


(Rattus norvegicus)
BDBM50253973
PNG
(1-(2,4-dimethyl-5-(piperidin-1-ylsulfonyl)furan-3-...)
Show SMILES Cc1oc(c(C)c1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C18H23N3O4S/c1-13-16(20-18(22)19-15-9-5-3-6-10-15)14(2)25-17(13)26(23,24)21-11-7-4-8-12-21/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(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
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254397
PNG
(2-methyl-N-phenyl-5-(piperidin-1-ylsulfonyl)furan-...)
Show SMILES Cc1oc(cc1C(=O)Nc1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H20N2O4S/c1-13-15(17(20)18-14-8-4-2-5-9-14)12-16(23-13)24(21,22)19-10-6-3-7-11-19/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,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)
BDBM50254395
PNG
(1-(4-chlorophenyl)-1-methyl-3-(2-methyl-5-(piperid...)
Show SMILES CN(C(=O)Nc1cc(oc1C)S(=O)(=O)N1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H22ClN3O4S/c1-13-16(20-18(23)21(2)15-8-6-14(19)7-9-15)12-17(26-13)27(24,25)22-10-4-3-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,20,23)
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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)
BDBM50254394
PNG
(1-methyl-3-(2-methyl-5-(piperidin-1-ylsulfonyl)fur...)
Show SMILES CN(C(=O)Nc1cc(oc1C)S(=O)(=O)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H23N3O4S/c1-14-16(19-18(22)20(2)15-9-5-3-6-10-15)13-17(25-14)26(23,24)21-11-7-4-8-12-21/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,19,22)
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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
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254342
PNG
(1-benzyl-3-(2-methyl-5-(piperidin-1-ylsulfonyl)fur...)
Show SMILES Cc1oc(cc1NC(=O)NCc1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C18H23N3O4S/c1-14-16(20-18(22)19-13-15-8-4-2-5-9-15)12-17(25-14)26(23,24)21-10-6-3-7-11-21/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(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))
BDBM50254043
PNG
(1-(2-methyl-6-(piperidin-1-ylsulfonyl)pyridin-3-yl...)
Show SMILES Cc1nc(ccc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C18H22N4O3S/c1-14-16(21-18(23)20-15-8-4-2-5-9-15)10-11-17(19-14)26(24,25)22-12-6-3-7-13-22/h2,4-5,8-11H,3,6-7,12-13H2,1H3,(H2,20,21,23)
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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))
BDBM50253986
PNG
(1-(2-methyl-4-(morpholinosulfonyl)phenyl)-3-phenyl...)
Show SMILES Cc1cc(ccc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H21N3O4S/c1-14-13-16(26(23,24)21-9-11-25-12-10-21)7-8-17(14)20-18(22)19-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(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))
BDBM50253977
PNG
(1-(1-methyl-3-(piperidin-1-ylsulfonyl)-1H-pyrazol-...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C16H21N5O3S/c1-20-14(18-16(22)17-13-8-4-2-5-9-13)12-15(19-20)25(23,24)21-10-6-3-7-11-21/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,17,18,22)
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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
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