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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'jeon' and Initial = 'jy'   
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
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50157857
PNG
(2-(2-(5-aminopentylamino)-3-(biphenyl-4-yl)-3,4-di...)
Show SMILES NCCCCCNC1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccc(cc1)-c1ccccc1 |t:7|
Show InChI InChI=1S/C34H37N5O/c35-22-10-3-11-23-36-34-38-31-17-9-8-16-30(31)32(24-33(40)37-25-26-12-4-1-5-13-26)39(34)29-20-18-28(19-21-29)27-14-6-2-7-15-27/h1-2,4-9,12-21,32H,3,10-11,22-25,35H2,(H,36,38)(H,37,40)
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n/an/a 130n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel Cav3.1 expressed in HEK293 cells coexpressing alpha1G subunit by whole-cell patch clamp method


Bioorg Med Chem Lett 17: 471-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.024
BindingDB Entry DOI: 10.7270/Q24F1QBW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029600
PNG
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
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n/an/a 170n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem Lett 20: 734-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.067
BindingDB Entry DOI: 10.7270/Q2Z31ZQQ
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50197240
PNG
(CHEMBL248088 | KYS-05080 | N-Benzyl-2-{3-biphenyl-...)
Show SMILES CN(CCCCCN1CCCC1)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccc(cc1)-c1ccccc1 |t:13|
Show InChI InChI=1S/C39H45N5O/c1-42(25-11-4-12-26-43-27-13-14-28-43)39-41-36-20-10-9-19-35(36)37(29-38(45)40-30-31-15-5-2-6-16-31)44(39)34-23-21-33(22-24-34)32-17-7-3-8-18-32/h2-3,5-10,15-24,37H,4,11-14,25-30H2,1H3,(H,40,45)
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n/an/a 260n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel Cav3.1 expressed in HEK293 cells coexpressing alpha1G subunit by whole-cell patch clamp method


Bioorg Med Chem Lett 17: 471-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.024
BindingDB Entry DOI: 10.7270/Q24F1QBW
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50197238
PNG
(CHEMBL239375 | methyl 2-(3-(biphenyl-4-yl)-2-(meth...)
Show SMILES COC(=O)CC1N(C(=Nc2ccccc12)N(C)CCCCCN1CCCC1)c1ccc(cc1)-c1ccccc1 |w:5.4,c:7|
Show InChI InChI=1S/C33H40N4O2/c1-35(21-9-4-10-22-36-23-11-12-24-36)33-34-30-16-8-7-15-29(30)31(25-32(38)39-2)37(33)28-19-17-27(18-20-28)26-13-5-3-6-14-26/h3,5-8,13-20,31H,4,9-12,21-25H2,1-2H3
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n/an/a 340n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel Cav3.1 expressed in HEK293 cells coexpressing alpha1G subunit by whole-cell patch clamp method


Bioorg Med Chem Lett 17: 471-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.024
BindingDB Entry DOI: 10.7270/Q24F1QBW
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50157859
PNG
(CHEMBL360359 | [2-(5-amino-pentylamino)-3-biphenyl...)
Show SMILES COC(=O)CC1N(C(NCCCCCN)=Nc2ccccc12)c1ccc(cc1)-c1ccccc1 |c:14|
Show InChI InChI=1S/C28H32N4O2/c1-34-27(33)20-26-24-12-6-7-13-25(24)31-28(30-19-9-3-8-18-29)32(26)23-16-14-22(15-17-23)21-10-4-2-5-11-21/h2,4-7,10-17,26H,3,8-9,18-20,29H2,1H3,(H,30,31)
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n/an/a 560n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel Cav3.1 expressed in HEK293 cells coexpressing alpha1G subunit by whole-cell patch clamp method


Bioorg Med Chem Lett 17: 471-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.024
BindingDB Entry DOI: 10.7270/Q24F1QBW
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
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n/an/a 1.34E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel Cav3.1 expressed in HEK293 cells coexpressing alpha1G subunit by whole-cell patch clamp method


Bioorg Med Chem Lett 17: 471-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.024
BindingDB Entry DOI: 10.7270/Q24F1QBW
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50197241
PNG
(CHEMBL393304 | KYS-05077 | N-benzyl-2-(2-(methyl(5...)
Show SMILES CN(CCCCCN1CCCC1)C1=Nc2ccccc2C(CC(=O)NCc2ccccc2)N1c1ccccc1 |w:20.22,t:13|
Show InChI InChI=1S/C33H41N5O/c1-36(21-11-4-12-22-37-23-13-14-24-37)33-35-30-20-10-9-19-29(30)31(38(33)28-17-7-3-8-18-28)25-32(39)34-26-27-15-5-2-6-16-27/h2-3,5-10,15-20,31H,4,11-14,21-26H2,1H3,(H,34,39)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel Cav3.1 expressed in HEK293 cells coexpressing alpha1G subunit by whole-cell patch clamp method


Bioorg Med Chem Lett 17: 471-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.024
BindingDB Entry DOI: 10.7270/Q24F1QBW
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50197239
PNG
(CHEMBL245610 | methyl 2-(2-(methyl(5-(pyrrolidin-1...)
Show SMILES COC(=O)CC1N(C(=Nc2ccccc12)N(C)CCCCCN1CCCC1)c1ccccc1 |w:5.4,c:7|
Show InChI InChI=1S/C27H36N4O2/c1-29(17-9-4-10-18-30-19-11-12-20-30)27-28-24-16-8-7-15-23(24)25(21-26(32)33-2)31(27)22-13-5-3-6-14-22/h3,5-8,13-16,25H,4,9-12,17-21H2,1-2H3
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n/an/a 5.84E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel Cav3.1 expressed in HEK293 cells coexpressing alpha1G subunit by whole-cell patch clamp method


Bioorg Med Chem Lett 17: 471-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.024
BindingDB Entry DOI: 10.7270/Q24F1QBW
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50251013
PNG
(2,4,2',4'-tetrahydroxy-3'-prenylchalcone | CHEMBL4...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2-[#8])c1-[#8]
Show InChI InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+
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n/an/a 6.20E+3n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50305810
PNG
(1H-3-(4-sulfamoylphenyl)-4-phenyl-pyrrole-2,5-dion...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C1=C(C(=O)NC1=O)c1ccccc1 |t:11|
Show InChI InChI=1S/C16H12N2O4S/c17-23(21,22)12-8-6-11(7-9-12)14-13(15(19)18-16(14)20)10-4-2-1-3-5-10/h1-9H,(H2,17,21,22)(H,18,19,20)
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n/an/a 1.56E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem Lett 20: 734-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.067
BindingDB Entry DOI: 10.7270/Q2Z31ZQQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50305806
PNG
(3-(3,4-dihydroxyphenyl)-4-phenyl-1H-pyrrole-2,5-di...)
Show SMILES Oc1ccc(cc1O)C1=C(C(=O)NC1=O)c1ccccc1 |t:9|
Show InChI InChI=1S/C16H11NO4/c18-11-7-6-10(8-12(11)19)14-13(15(20)17-16(14)21)9-4-2-1-3-5-9/h1-8,18-19H,(H,17,20,21)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem Lett 20: 734-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.067
BindingDB Entry DOI: 10.7270/Q2Z31ZQQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50305808
PNG
(3-(4-(methylthio)phenyl)-4-phenyl-1H-pyrrole-2,5-d...)
Show SMILES CSc1ccc(cc1)C1=C(C(=O)NC1=O)c1ccccc1 |t:9|
Show InChI InChI=1S/C17H13NO2S/c1-21-13-9-7-12(8-10-13)15-14(16(19)18-17(15)20)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19,20)
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n/an/a 1.63E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem Lett 20: 734-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.067
BindingDB Entry DOI: 10.7270/Q2Z31ZQQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50305804
PNG
(4-(4-(4-(methylsulfonyl)phenyl)-2,5-dioxo-2,5-dihy...)
Show SMILES CC(=O)Oc1ccc(cc1)C1=C(C(=O)OC1=O)c1ccc(cc1)S(C)(=O)=O |t:11|
Show InChI InChI=1S/C19H14O7S/c1-11(20)25-14-7-3-12(4-8-14)16-17(19(22)26-18(16)21)13-5-9-15(10-6-13)27(2,23)24/h3-10H,1-2H3
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n/an/a 1.66E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem Lett 20: 734-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.067
BindingDB Entry DOI: 10.7270/Q2Z31ZQQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50305809
PNG
(3-(4-(methylsulfonyl)phenyl)-4-phenyl-1H-pyrrole-2...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)NC1=O)c1ccccc1 |t:11|
Show InChI InChI=1S/C17H13NO4S/c1-23(21,22)13-9-7-12(8-10-13)15-14(16(19)18-17(15)20)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19,20)
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n/an/a 1.75E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem Lett 20: 734-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.067
BindingDB Entry DOI: 10.7270/Q2Z31ZQQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50305807
PNG
(3-phenyl-4-(3,4,5-trihydroxyphenyl)-1H-pyrrole-2,5...)
Show SMILES Oc1cc(cc(O)c1O)C1=C(C(=O)NC1=O)c1ccccc1 |t:10|
Show InChI InChI=1S/C16H11NO5/c18-10-6-9(7-11(19)14(10)20)13-12(15(21)17-16(13)22)8-4-2-1-3-5-8/h1-7,18-20H,(H,17,21,22)
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n/an/a 1.75E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem Lett 20: 734-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.067
BindingDB Entry DOI: 10.7270/Q2Z31ZQQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50305803
PNG
(3-(4-(methylthio)phenyl)-4-phenylfuran-2,5-dione |...)
Show SMILES CSc1ccc(cc1)C1=C(C(=O)OC1=O)c1ccccc1 |t:9|
Show InChI InChI=1S/C17H12O3S/c1-21-13-9-7-12(8-10-13)15-14(16(18)20-17(15)19)11-5-3-2-4-6-11/h2-10H,1H3
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n/an/a 1.85E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem Lett 20: 734-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.067
BindingDB Entry DOI: 10.7270/Q2Z31ZQQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50305802
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-4-phenylfuran-2,5-dio...)
Show SMILES O=C1OC(=O)C(=C1c1ccccc1)c1ccc2OCOc2c1 |c:5|
Show InChI InChI=1S/C17H10O5/c18-16-14(10-4-2-1-3-5-10)15(17(19)22-16)11-6-7-12-13(8-11)21-9-20-12/h1-8H,9H2
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n/an/a 1.85E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem Lett 20: 734-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.067
BindingDB Entry DOI: 10.7270/Q2Z31ZQQ
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50242015
PNG
(CHEMBL518543 | Kuwanon C, 4 | kuwanon C)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc(-c1ccc(-[#8])cc1-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2=O
Show InChI InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
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n/an/a 1.86E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50305805
PNG
(CHEMBL595852 | N-(4-(4-(4-(methylthio)phenyl)-2,5-...)
Show SMILES CSc1ccc(cc1)C1=C(C(=O)OC1=O)c1ccc(NC(C)=O)cc1 |t:9|
Show InChI InChI=1S/C19H15NO4S/c1-11(21)20-14-7-3-12(4-8-14)16-17(19(23)24-18(16)22)13-5-9-15(25-2)10-6-13/h3-10H,1-2H3,(H,20,21)
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n/an/a 2.01E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem Lett 20: 734-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.067
BindingDB Entry DOI: 10.7270/Q2Z31ZQQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50305811
PNG
(3-(4-hydroxyphenyl)-4-(4-(methylthio)phenyl)-1H-py...)
Show SMILES CSc1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(O)cc1 |t:9|
Show InChI InChI=1S/C17H13NO3S/c1-22-13-8-4-11(5-9-13)15-14(16(20)18-17(15)21)10-2-6-12(19)7-3-10/h2-9,19H,1H3,(H,18,20,21)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem Lett 20: 734-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.067
BindingDB Entry DOI: 10.7270/Q2Z31ZQQ
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50083074
PNG
(CHEMBL3422851)
Show SMILES CC1(C)Oc2cc3oc(cc3cc2C=C1)-c1cc(O)cc(O)c1 |c:15|
Show InChI InChI=1S/C19H16O4/c1-19(2)4-3-11-5-12-8-16(22-17(12)10-18(11)23-19)13-6-14(20)9-15(21)7-13/h3-10,20-21H,1-2H3
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n/an/a 2.92E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50251014
PNG
(CHEMBL465881 | moracin N)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2cc(oc2cc1-[#8])-c1cc(-[#8])cc(-[#8])c1
Show InChI InChI=1S/C19H18O4/c1-11(2)3-4-12-5-13-8-18(23-19(13)10-17(12)22)14-6-15(20)9-16(21)7-14/h3,5-10,20-22H,4H2,1-2H3
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n/an/a 2.97E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50381284
PNG
(CHEMBL2018876)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-c1cc2ccc(-[#8])cc2o1
Show InChI InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50083070
PNG
(CHEMBL3422848)
Show SMILES Oc1ccc(C2CC(=O)c3ccc(O)cc3O2)c(O)c1
Show InChI InChI=1S/C15H12O5/c16-8-1-3-10(12(18)5-8)15-7-13(19)11-4-2-9(17)6-14(11)20-15/h1-6,15-18H,7H2
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n/an/a 5.64E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50083071
PNG
(CHEMBL3422849)
Show SMILES Oc1cc(O)cc(c1)-c1cc2ccc(O)c(O)c2o1
Show InChI InChI=1S/C14H10O5/c15-9-3-8(4-10(16)6-9)12-5-7-1-2-11(17)13(18)14(7)19-12/h1-6,15-18H
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n/an/a 6.30E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50083072
PNG
(CHEMBL3422850)
Show SMILES Oc1cc(O)cc(c1)-c1cc2cc(O)c(O)cc2o1
Show InChI InChI=1S/C14H10O5/c15-9-1-7(2-10(16)5-9)13-4-8-3-11(17)12(18)6-14(8)19-13/h1-6,15-18H
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n/an/a 6.48E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50442403
PNG
(CHEMBL494252)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2occ(-c3ccc(-[#8])cc3)c(=O)c2c1-[#8]
Show InChI InChI=1S/C25H26O5/c1-14(2)5-11-18-22(27)19(12-6-15(3)4)25-21(23(18)28)24(29)20(13-30-25)16-7-9-17(26)10-8-16/h5-10,13,26-28H,11-12H2,1-4H3
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n/an/a 6.50E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as hydrolysis of p-NPB to p-nitrophenol by microplate reader


Bioorg Med Chem Lett 24: 2329-33 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.067
BindingDB Entry DOI: 10.7270/Q2V69M43
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50083073
PNG
(CHEMBL3397404)
Show SMILES Oc1cc(O)cc(c1)-c1cc2cc3ccoc3cc2o1
Show InChI InChI=1S/C16H10O4/c17-12-4-11(5-13(18)7-12)15-6-10-3-9-1-2-19-14(9)8-16(10)20-15/h1-8,17-18H
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n/an/a>7.00E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50303002
PNG
(CHEMBL564896 | albafuran A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])cc1-c1cc2ccc(-[#8])cc2o1
Show InChI InChI=1S/C24H26O4/c1-15(2)5-4-6-16(3)7-10-20-21(12-19(26)13-22(20)27)24-11-17-8-9-18(25)14-23(17)28-24/h5,7-9,11-14,25-27H,4,6,10H2,1-3H3/b16-7+
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n/an/a>7.00E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50250915
PNG
(CHEMBL512578 | moracin M)
Show SMILES Oc1ccc2cc(oc2c1)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C14H10O4/c15-10-2-1-8-5-13(18-14(8)7-10)9-3-11(16)6-12(17)4-9/h1-7,15-17H
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n/an/a>7.00E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50269605
PNG
(CHEMBL465194 | steppogenin)
Show SMILES Oc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)c(O)c1
Show InChI InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2
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n/an/a>7.00E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50083068
PNG
(CHEMBL3422847)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H22O11/c1-30-11-4-2-9(3-5-11)20-21(17(27)15-12(25)6-10(24)7-13(15)31-20)33-22-19(29)18(28)16(26)14(8-23)32-22/h2-7,14,16,18-19,22-26,28-29H,8H2,1H3/t14-,16-,18+,19-,22?/m1/s1
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n/an/a>7.00E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50241354
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-tr...)
Show SMILES OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-25,27-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
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n/an/a>7.00E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50241243
PNG
(3,4',5,7-Tetrahydroxyflavone-3-glucoside | 3-(beta...)
Show SMILES OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-24,26-29H,7H2/t13-,15-,17+,18-,21+/m1/s1
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n/an/a>7.00E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50269559
PNG
(2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H
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n/an/a>7.00E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM23409
PNG
(3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...)
Show SMILES COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
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n/an/a>7.00E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/a>7.00E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a>7.00E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50108046
PNG
((oxyresveratrol)4-[(E)-2-(3,5-dihydroxyphenyl)viny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1
Show InChI InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
PDB

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PubMed
n/an/a>7.00E+4n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins foll...


Bioorg Med Chem Lett 25: 2269-74 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.045
BindingDB Entry DOI: 10.7270/Q2GF0W7B
More data for this
Ligand-Target Pair