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Compile Data Set for Download or QSAR

Found 224 hits of ic50 for UniProtKB: P00591   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 4n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate after 20 mins


ACS Med Chem Lett 9: 274-278 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00050
BindingDB Entry DOI: 10.7270/Q22J6FH4
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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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-NPB as substrate pretreated for 15 mins followed by substrate addition measured after 15 mins by spec...


J Nat Prod 81: 1098-1102 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00017
BindingDB Entry DOI: 10.7270/Q2930WVD
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50552242
PNG
(CHEMBL365190)
Show SMILES CCCCCCCCCCC[C@@H](CC1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
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TBA

Assay Description
Inhibition of porcine pancreatic lipase preincubated for 10 mins followed by 4-MUO addition and measured at 60 sec interval for 40 mins by multi plat...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115853
BindingDB Entry DOI: 10.7270/Q2DV1PJS
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50465318
PNG
(CHEMBL472695)
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+/m1/s1
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Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate after 20 mins


ACS Med Chem Lett 9: 274-278 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00050
BindingDB Entry DOI: 10.7270/Q22J6FH4
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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Catholic University of Daegu

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...


Bioorg Med Chem Lett 26: 2788-2794 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50465320
PNG
(CHEMBL4282840)
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 15n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate after 20 mins


ACS Med Chem Lett 9: 274-278 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00050
BindingDB Entry DOI: 10.7270/Q22J6FH4
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50465321
PNG
(CHEMBL4291122)
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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Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase


ACS Med Chem Lett 9: 274-278 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00050
BindingDB Entry DOI: 10.7270/Q22J6FH4
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50274723
PNG
(CHEMBL458622 | N-Formyl-D-leucine-(1S)-1-[[(2S,3S)...)
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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Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate after 20 mins


ACS Med Chem Lett 9: 274-278 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00050
BindingDB Entry DOI: 10.7270/Q22J6FH4
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50465317
PNG
(CHEMBL4282614)
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+/m1/s1
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Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate after 20 mins


ACS Med Chem Lett 9: 274-278 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00050
BindingDB Entry DOI: 10.7270/Q22J6FH4
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50465323
PNG
(CHEMBL4282318)
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-/m1/s1
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Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate after 20 mins


ACS Med Chem Lett 9: 274-278 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00050
BindingDB Entry DOI: 10.7270/Q22J6FH4
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50465319
PNG
(CHEMBL4290524)
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-/m1/s1
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Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate after 20 mins


ACS Med Chem Lett 9: 274-278 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00050
BindingDB Entry DOI: 10.7270/Q22J6FH4
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50303006
PNG
(CHEMBL517247 | mulberrofuran D)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2cc(oc12)-c1cc(-[#8])cc(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C29H34O4/c1-18(2)7-6-8-20(5)10-13-24-26(31)14-11-21-15-28(33-29(21)24)25-16-22(30)17-27(32)23(25)12-9-19(3)4/h7,9-11,14-17,30-32H,6,8,12-13H2,1-5H3/b20-10+
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n/an/a 90n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...


Bioorg Med Chem Lett 26: 2788-2794 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50595125
PNG
(CHEMBL5174296)
Show SMILES CCCCCC[C@H]1[C@H](C[C@H](C\C=C/C\C=C/CCCCC)OC(=O)[C@H](CC(C)C)NC=O)OC1=O |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114405
BindingDB Entry DOI: 10.7270/Q2K64P2N
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 220n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using micellar solution of triolein as substrate preincubated for 5 mins before substrate addition measured a...


Bioorg Med Chem Lett 22: 6410-2 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.055
BindingDB Entry DOI: 10.7270/Q2668F90
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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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate preincubated for 15 mins prior substrate addition measured after 15 ...


Bioorg Med Chem Lett 22: 2760-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.088
BindingDB Entry DOI: 10.7270/Q2H41SFC
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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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))
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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Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase pre-incubated for 15 mins before p-nitrophenylbutyrate substrate addition by microplate reader based method


Bioorg Med Chem Lett 25: 3455-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.017
BindingDB Entry DOI: 10.7270/Q2H41T73
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50552240
PNG
(CHEMBL4780197)
Show SMILES COc1cc(\C=C2/Cc3ccc(cc3C2=O)N(CCCCCCCCCCCCO)CCCCCCCCCCCCO)ccc1O
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TBA

Assay Description
Inhibition of porcine pancreatic lipase preincubated for 10 mins followed by 4-MUO addition and measured at 60 sec interval for 40 mins by multi plat...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115853
BindingDB Entry DOI: 10.7270/Q2DV1PJS
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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Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using triolein as substrate measured after 10 mins


ACS Med Chem Lett 9: 274-278 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00050
BindingDB Entry DOI: 10.7270/Q22J6FH4
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50168024
PNG
(CHEMBL3800462)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-c1cc2ccc(-[#8])cc2o1
Show InChI InChI=1S/C34H42O4/c1-22(2)9-7-10-24(5)11-8-12-25(6)14-18-29-31(37)21-30(36)28(17-13-23(3)4)34(29)33-19-26-15-16-27(35)20-32(26)38-33/h9,11,13-16,19-21,35-37H,7-8,10,12,17-18H2,1-6H3/b24-11-,25-14-
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n/an/a 390n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...


Bioorg Med Chem Lett 26: 2788-2794 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF
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 400n/an/an/an/an/an/a



Daegu University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using pNPB as substrate measured after 30 mins


Bioorg Med Chem Lett 29: 2079-2084 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.008
BindingDB Entry DOI: 10.7270/Q23B63K4
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50168022
PNG
(CHEMBL3797266)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])ccc2cc(oc12)-c1cc(-[#8])c2ccoc2c1
Show InChI InChI=1S/C26H26O4/c1-16(2)5-4-6-17(3)7-9-21-22(27)10-8-18-14-24(30-26(18)21)19-13-23(28)20-11-12-29-25(20)15-19/h5,7-8,10-15,27-28H,4,6,9H2,1-3H3/b17-7-
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n/an/a 480n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...


Bioorg Med Chem Lett 26: 2788-2794 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50262486
PNG
(CHEMBL2354678)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)C(CC(C)C)NC=O
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 500n/an/an/an/an/an/a



Department of Food Science and Biotechnology, Daegu University, Gyeongsan 38453, Republic of Korea.

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 27: 4889-4892 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.035
BindingDB Entry DOI: 10.7270/Q23J3GFT
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50168023
PNG
(CHEMBL3800628)
Show SMILES [#6]-[#8]-c1cc(-[#8])cc(-c2cc3ccc(-[#8])cc3o2)c1-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]
Show InChI InChI=1S/C30H36O4/c1-20(2)8-6-9-21(3)10-7-11-22(4)12-15-26-27(17-25(32)19-29(26)33-5)30-16-23-13-14-24(31)18-28(23)34-30/h8,10,12-14,16-19,31-32H,6-7,9,11,15H2,1-5H3/b21-10-,22-12-
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n/an/a 570n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...


Bioorg Med Chem Lett 26: 2788-2794 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50552238
PNG
(CHEMBL4788400)
Show SMILES COc1cc(\C=C2/Cc3ccc(cc3C2=O)N(CCCCCCCCC=C)CCCCCCCCC=C)ccc1O
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n/an/a 580n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of porcine pancreatic lipase preincubated for 10 mins followed by 4-MUO addition and measured at 60 sec interval for 40 mins by multi plat...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115853
BindingDB Entry DOI: 10.7270/Q2DV1PJS
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 600n/an/an/an/an/an/a



Korea Atomic Energy Research Institute

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic lipase assessed as hydrolysis of p-nitrophenylbutyrate to p-nitrophenol


Bioorg Med Chem Lett 23: 1099-103 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.003
BindingDB Entry DOI: 10.7270/Q2P55PTG
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 600n/an/an/an/an/an/a



Daegu Haany University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic lipase assessed as p-NPB hydrolysis by ELISA


Bioorg Med Chem Lett 21: 1512-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.122
BindingDB Entry DOI: 10.7270/Q2GQ6Z1H
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 600n/an/an/an/a6.8n/a



Korea Atomic Energy Research Institute

US Patent


Assay Description
Particularly, pancreatic lipase inhibiting activity was measured by the conventional method known to those in the art (Kim, J. H.; Kim, H. J.; Park, ...


US Patent US9328123 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BXH
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50552241
PNG
(CHEMBL4797179)
Show SMILES COc1cc(\C=C2/Cc3ccc(NCCCCCCCCCCCCO)cc3C2=O)ccc1O
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n/an/a 680n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of porcine pancreatic lipase preincubated for 10 mins followed by 4-MUO addition and measured at 60 sec interval for 40 mins by multi plat...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115853
BindingDB Entry DOI: 10.7270/Q2DV1PJS
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50303004
PNG
(CHEMBL562810 | mulberrofuran W)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])cc1-c1cc2ccc(-[#8])cc2o1
Show InChI InChI=1S/C29H34O4/c1-19(2)7-5-8-20(3)9-6-10-21(4)11-14-25-26(16-24(31)17-27(25)32)29-15-22-12-13-23(30)18-28(22)33-29/h7,9,11-13,15-18,30-32H,5-6,8,10,14H2,1-4H3/b20-9-,21-11-
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n/an/a 700n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...


Bioorg Med Chem Lett 26: 2788-2794 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50168019
PNG
(CHEMBL3798170)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8] |r|
Show InChI InChI=1S/C30H36O6/c1-17(2)7-6-8-19(5)10-12-21-24(32)15-27-28(30(21)35)25(33)16-26(36-27)22-13-14-23(31)20(29(22)34)11-9-18(3)4/h7,9-10,13-15,26,31-32,34-35H,6,8,11-12,16H2,1-5H3/b19-10-/t26-/m0/s1
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n/an/a 710n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...


Bioorg Med Chem Lett 26: 2788-2794 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50367145
PNG
(CHEMBL4173252)
Show SMILES [H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(F)cc4)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|
Show InChI InChI=1S/C30H38FN3O3/c1-21-6-13-27-29(2,3)14-5-15-30(27,4)26(21)12-9-23(19-35)16-28(36)37-20-25-18-34(33-32-25)17-22-7-10-24(31)11-8-22/h7-11,18-19,26-27H,1,5-6,12-17,20H2,2-4H3/b23-9+/t26?,27-,30+/m0/s1
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n/an/a 750n/an/an/an/an/an/a



CSIR - National Institute for Interdisciplinary Science and Technology (CSIR-NIIST)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition and measured ...


ACS Med Chem Lett 9: 662-666 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00109
BindingDB Entry DOI: 10.7270/Q2F47RPR
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50168021
PNG
(CHEMBL3800241)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#8]-c2cc(cc(-[#8])c2-[#6]=[#6]1)-c1cc2ccc(-[#8])cc2o1 |c:17|
Show InChI InChI=1S/C24H24O4/c1-15(2)5-4-9-24(3)10-8-19-20(26)11-17(13-23(19)28-24)21-12-16-6-7-18(25)14-22(16)27-21/h5-8,10-14,25-26H,4,9H2,1-3H3
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n/an/a 760n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...


Bioorg Med Chem Lett 26: 2788-2794 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50367138
PNG
(CHEMBL4160519)
Show SMILES [H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(Cl)cc4)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|
Show InChI InChI=1S/C30H38ClN3O3/c1-21-6-13-27-29(2,3)14-5-15-30(27,4)26(21)12-9-23(19-35)16-28(36)37-20-25-18-34(33-32-25)17-22-7-10-24(31)11-8-22/h7-11,18-19,26-27H,1,5-6,12-17,20H2,2-4H3/b23-9+/t26?,27-,30+/m0/s1
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n/an/a 770n/an/an/an/an/an/a



CSIR - National Institute for Interdisciplinary Science and Technology (CSIR-NIIST)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition and measured ...


ACS Med Chem Lett 9: 662-666 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00109
BindingDB Entry DOI: 10.7270/Q2F47RPR
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 800n/an/an/an/an/an/a



CSIR - National Institute for Interdisciplinary Science and Technology (CSIR-NIIST)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition and measured ...


ACS Med Chem Lett 9: 662-666 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00109
BindingDB Entry DOI: 10.7270/Q2F47RPR
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50367133
PNG
(CHEMBL4164998)
Show SMILES [H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(SC)cc4)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|
Show InChI InChI=1S/C31H41N3O3S/c1-22-7-14-28-30(2,3)15-6-16-31(28,4)27(22)13-10-24(20-35)17-29(36)37-21-25-19-34(33-32-25)18-23-8-11-26(38-5)12-9-23/h8-12,19-20,27-28H,1,6-7,13-18,21H2,2-5H3/b24-10+/t27?,28-,31+/m0/s1
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n/an/a 800n/an/an/an/an/an/a



CSIR - National Institute for Interdisciplinary Science and Technology (CSIR-NIIST)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition and measured ...


ACS Med Chem Lett 9: 662-666 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00109
BindingDB Entry DOI: 10.7270/Q2F47RPR
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50552236
PNG
(CHEMBL4782276)
Show SMILES COc1cc(\C=C2/Cc3ccc(cc3C2=O)N(CCC(C)CCCC(C)C)CCC(C)CCCC(C)C)ccc1O
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n/an/a 830n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of porcine pancreatic lipase preincubated for 10 mins followed by 4-MUO addition and measured at 60 sec interval for 40 mins by multi plat...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115853
BindingDB Entry DOI: 10.7270/Q2DV1PJS
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50367134
PNG
(CHEMBL4167341)
Show SMILES [H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(OC)cc4)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|
Show InChI InChI=1S/C31H41N3O4/c1-22-7-14-28-30(2,3)15-6-16-31(28,4)27(22)13-10-24(20-35)17-29(36)38-21-25-19-34(33-32-25)18-23-8-11-26(37-5)12-9-23/h8-12,19-20,27-28H,1,6-7,13-18,21H2,2-5H3/b24-10+/t27?,28-,31+/m0/s1
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n/an/a 840n/an/an/an/an/an/a



CSIR - National Institute for Interdisciplinary Science and Technology (CSIR-NIIST)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition and measured ...


ACS Med Chem Lett 9: 662-666 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00109
BindingDB Entry DOI: 10.7270/Q2F47RPR
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50367211
PNG
(CHEMBL4165339)
Show SMILES [H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(cc4)[N+]([O-])=O)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|
Show InChI InChI=1S/C30H38N4O5/c1-21-6-13-27-29(2,3)14-5-15-30(27,4)26(21)12-9-23(19-35)16-28(36)39-20-24-18-33(32-31-24)17-22-7-10-25(11-8-22)34(37)38/h7-11,18-19,26-27H,1,5-6,12-17,20H2,2-4H3/b23-9+/t26?,27-,30+/m0/s1
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n/an/a 850n/an/an/an/an/an/a



CSIR - National Institute for Interdisciplinary Science and Technology (CSIR-NIIST)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition and measured ...


ACS Med Chem Lett 9: 662-666 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00109
BindingDB Entry DOI: 10.7270/Q2F47RPR
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50168018
PNG
(CHEMBL3798236)
Show SMILES [#6]-[#8]-c1cc(-[#8])cc(\[#6]=[#6]\c2ccc(-[#8])cc2)c1-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C25H30O3/c1-18(2)6-5-7-19(3)8-15-24-21(16-23(27)17-25(24)28-4)12-9-20-10-13-22(26)14-11-20/h6,8-14,16-17,26-27H,5,7,15H2,1-4H3/b12-9+,19-8-
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n/an/a 850n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...


Bioorg Med Chem Lett 26: 2788-2794 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50367212
PNG
(CHEMBL4168413)
Show SMILES [H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(cc4)C(C)(C)C)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|
Show InChI InChI=1S/C34H47N3O3/c1-24-9-16-30-33(5,6)17-8-18-34(30,7)29(24)15-12-26(22-38)19-31(39)40-23-28-21-37(36-35-28)20-25-10-13-27(14-11-25)32(2,3)4/h10-14,21-22,29-30H,1,8-9,15-20,23H2,2-7H3/b26-12+/t29?,30-,34+/m0/s1
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n/an/a 910n/an/an/an/an/an/a



CSIR - National Institute for Interdisciplinary Science and Technology (CSIR-NIIST)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition and measured ...


ACS Med Chem Lett 9: 662-666 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00109
BindingDB Entry DOI: 10.7270/Q2F47RPR
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50168020
PNG
(CHEMBL3797932)
Show SMILES [#6]-[#8]-c1cc(-[#8])cc(-c2cc3ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c3o2)c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C30H36O4/c1-19(2)8-7-9-21(5)11-14-25-27(32)15-12-22-16-29(34-30(22)25)26-17-23(31)18-28(33-6)24(26)13-10-20(3)4/h8,10-12,15-18,31-32H,7,9,13-14H2,1-6H3/b21-11-
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n/an/a 920n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins fol...


Bioorg Med Chem Lett 26: 2788-2794 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.066
BindingDB Entry DOI: 10.7270/Q2WD42GF
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50465322
PNG
(CHEMBL2305145)
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 930n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate after 20 mins


ACS Med Chem Lett 9: 274-278 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00050
BindingDB Entry DOI: 10.7270/Q22J6FH4
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50367214
PNG
(CHEMBL4163899)
Show SMILES [H][C@@]12CCC(=C)C(C\C=C(/CC(=O)OCc3cn(Cc4ccc(F)cc4Br)nn3)C=O)[C@@]1(C)CCCC2(C)C |r|
Show InChI InChI=1S/C30H37BrFN3O3/c1-20-6-11-27-29(2,3)12-5-13-30(27,4)25(20)10-7-21(18-36)14-28(37)38-19-24-17-35(34-33-24)16-22-8-9-23(32)15-26(22)31/h7-9,15,17-18,25,27H,1,5-6,10-14,16,19H2,2-4H3/b21-7+/t25?,27-,30+/m0/s1
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n/an/a 950n/an/an/an/an/an/a



CSIR - National Institute for Interdisciplinary Science and Technology (CSIR-NIIST)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition and measured ...


ACS Med Chem Lett 9: 662-666 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00109
BindingDB Entry DOI: 10.7270/Q2F47RPR
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 990n/an/an/an/an/an/a



Birla Institute of Technology and Science Pilani (Pilani Campus)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mi...


Bioorg Med Chem 25: 609-620 (2017)


Article DOI: 10.1016/j.bmc.2016.11.031
BindingDB Entry DOI: 10.7270/Q2J968C6
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 990n/an/an/an/an/an/a



Laboratory of Natural Drugs, Department of Pharmacy, Birla Institute of Technology and Science, Pilani (BITS Pilani), Pilani Campus, Pilani 333 031, Rajasthan, India.

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate preincubated for 5 mins followed by substrate addition measured aft...


Bioorg Med Chem Lett 27: 3749-3754 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.069
BindingDB Entry DOI: 10.7270/Q2FX7CZQ
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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PubMed
260 -9.34 1.24E+3n/an/an/an/a7.437



Seoul National University



Assay Description
Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipa...


J Enzyme Inhib Med Chem 29: 1-6 (2014)


Article DOI: 10.3109/14756366.2012.742517
BindingDB Entry DOI: 10.7270/Q2DJ5DKB
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50552233
PNG
(CHEMBL4748399)
Show SMILES CCN(CC)c1ccc2C\C(=C/c3ccc(O)c(OC)c3)C(=O)c2c1
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n/an/a 1.69E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of porcine pancreatic lipase preincubated for 10 mins followed by 4-MUO addition and measured at 60 sec interval for 40 mins by multi plat...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115853
BindingDB Entry DOI: 10.7270/Q2DV1PJS
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50552234
PNG
(CHEMBL4757866)
Show SMILES COc1cc(\C=C2/Cc3ccc(cc3C2=O)N(CCCCC=C)CCCCC=C)ccc1O
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n/an/a 2.09E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of porcine pancreatic lipase preincubated for 10 mins followed by 4-MUO addition and measured at 60 sec interval for 40 mins by multi plat...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115853
BindingDB Entry DOI: 10.7270/Q2DV1PJS
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50552237
PNG
(CHEMBL4744746)
Show SMILES COc1cc(\C=C2/Cc3ccc(NCCC(C)CCCC(C)C)cc3C2=O)ccc1O
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n/an/a 2.52E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of porcine pancreatic lipase preincubated for 10 mins followed by 4-MUO addition and measured at 60 sec interval for 40 mins by multi plat...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115853
BindingDB Entry DOI: 10.7270/Q2DV1PJS
More data for this
Ligand-Target Pair
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