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Compile Data Set for Download or QSAR

Found 126 hits Enz. Inhib. hit(s) with Target = 'Pancreatic lipase'   
Target
(Institution)
LigandTarget
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
Pancreatic lipase


(Homo sapiens)
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
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 0.0400n/an/an/an/an/an/a



Toho University

Curated by ChEMBL


Assay Description
Inhibition of pancreatic lipase assessed as umoles of oleic acic released per millimiter of triolein per hour


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic 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
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 12n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50303006
PNG
(CHEMBL517247 | mulberrofuran D)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)ccc2cc(oc12)-c1cc(O)cc(O)c1CC=C(C)C
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




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

More data for this
Ligand-Target Pair
Pancreatic 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
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...


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic 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
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...


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic 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
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 preincubated for 15 mins prior substrate addition measured after 15 ...


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic 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
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 320n/an/an/an/an/an/a



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


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50168024
PNG
(CHEMBL3800462)
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n/an/a 390n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50168022
PNG
(CHEMBL3797266)
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n/an/a 480n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50168023
PNG
(CHEMBL3800628)
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n/an/a 570n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Pancreatic 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
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


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic 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
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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US Patent
n/an/a 600n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Pancreatic 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
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


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50303004
PNG
(CHEMBL562810 | mulberrofuran W)
Show SMILES CC(C)=CCC\C(C)=C/CC\C(C)=C/Cc1c(O)cc(O)cc1-c1cc2ccc(O)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




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

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50168019
PNG
(CHEMBL3798170)
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n/an/a 710n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50168021
PNG
(CHEMBL3800241)
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n/an/a 760n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50168018
PNG
(CHEMBL3798236)
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n/an/a 850n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50168020
PNG
(CHEMBL3797932)
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n/an/a 920n/an/an/an/an/an/a



Catholic University of Daegu

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Pancreatic 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
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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260 -39.1 1.24E+3n/an/an/an/a7.437



Seoul National University





Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50251013
PNG
(2,4,2',4'-tetrahydroxy-3'-prenylchalcone | CHEMBL4...)
Show SMILES CC(C)=CCc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2O)c1O
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...


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM224806
PNG
(US9328123, Rotenone A)
Show SMILES COc1cc2OCC3Oc4c5C[C@@H](Oc5ccc4[C@]4(CO4)C3c2cc1OC)C(C)=C
Show InChI InChI=1/C24H24O6/c1-12(2)17-8-14-16(29-17)6-5-15-23(14)30-21-10-27-18-9-20(26-4)19(25-3)7-13(18)22(21)24(15)11-28-24/h5-7,9,17,21-22H,1,8,10-11H2,2-4H3/t17-,21?,22?,24-/s2
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US Patent
n/an/a 6.30E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50429043
PNG
(CHEMBL2334103 | Rotenoisin A)
Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4[C@]4(CO4)[C@H]3c2cc1OC)C(C)=C
Show InChI InChI=1S/C24H24O6/c1-12(2)17-8-14-16(29-17)6-5-15-23(14)30-21-10-27-18-9-20(26-4)19(25-3)7-13(18)22(21)24(15)11-28-24/h5-7,9,17,21-22H,1,8,10-11H2,2-4H3/t17-,21-,22+,24-/m1/s1
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n/an/a 6.30E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50193719
PNG
((S)-5,7,7'-trihydroxy-2',2'-dimethyl-6-(3-methylbu...)
Show SMILES CC(C)=CCc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1cc2C=CC(C)(C)Oc2cc1O
Show InChI InChI=1S/C25H26O6/c1-13(2)5-6-15-17(26)11-22-23(24(15)29)19(28)12-21(30-22)16-9-14-7-8-25(3,4)31-20(14)10-18(16)27/h5,7-11,21,26-27,29H,6,12H2,1-4H3/t21-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



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


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM246486
PNG
(3,3',5-Trihydroxy-2'-methoxybibenzyl (3))
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1.82E+3 -34.1 8.77E+3n/an/an/an/a7.437



Seoul National University





Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50193723
PNG
((S)-2-(2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl)...)
Show SMILES CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)c(CC=C(C)C)c(O)cc3O2)c(O)cc1O
Show InChI InChI=1S/C25H28O6/c1-13(2)5-7-15-9-17(19(27)10-18(15)26)22-12-21(29)24-23(31-22)11-20(28)16(25(24)30)8-6-14(3)4/h5-6,9-11,22,26-28,30H,7-8,12H2,1-4H3/t22-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



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


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50337363
PNG
(CHEMBL1682392 | threo-1-(3-methoxy-4-hydroxy-pheny...)
Show SMILES COc1cc(ccc1O)[C@H](O)[C@H](C)O
Show InChI InChI=1S/C10H14O4/c1-6(11)10(13)7-3-4-8(12)9(5-7)14-2/h3-6,10-13H,1-2H3/t6-,10+/m0/s1
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n/an/a 9.10E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM246500
PNG
((4E,6E)-1,7-bis(4-hydroxyphenyl)-4,6-heptadien-3-o...)
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1.92E+3 -33.9 9.12E+3n/an/an/an/a7.437



Seoul National University





Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50138739
PNG
(4-tert-Butyl-N-[4-(5-methoxy-2-oxo-[1,3,4]oxadiazo...)
Show SMILES COc1nn(-c2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2)c(=O)o1
Show InChI InChI=1S/C20H21N3O4/c1-20(2,3)14-7-5-13(6-8-14)17(24)21-15-9-11-16(12-10-15)23-19(25)27-18(22-23)26-4/h5-12H,1-4H3,(H,21,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit pancreatic lipase (PL)


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50138734
PNG
(3-(3-(benzyloxy)phenyl)-5-ethoxy-1,3,4-oxadiazol-2...)
Show SMILES CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1
Show InChI InChI=1S/C17H16N2O4/c1-2-21-16-18-19(17(20)23-16)14-9-6-10-15(11-14)22-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit pancreatic lipase (PL)


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM246501
PNG
((4E,6E)-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxy...)
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2.17E+3 -33.6 1.11E+4n/an/an/an/a7.437



Seoul National University





Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50337362
PNG
(CHEMBL1682391 | erythro-1-(3-methoxy-4-hydroxy-phe...)
Show SMILES COc1cc(ccc1O)[C@@H](O)[C@H](C)O
Show InChI InChI=1S/C10H14O4/c1-6(11)10(13)7-3-4-8(12)9(5-7)14-2/h3-6,10-13H,1-2H3/t6-,10-/m0/s1
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n/an/a 1.21E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM246493
PNG
(3,5-Dimethoxy-2,7-phenanthrenediol (11))
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2.67E+3 -33.1 1.27E+4n/an/an/an/a7.437



Seoul National University





Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50213683
PNG
(CHEMBL218693 | carnosol)
Show SMILES CC(C)c1cc2[C@@H]3C[C@H]4C(C)(C)CCC[C@]4(C(=O)O3)c2c(O)c1O
Show InChI InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Sinhgad College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of pancreatic lipase


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM246485
PNG
(Tristin (1))
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2.75E+3 -33.0 1.35E+4n/an/an/an/a7.437



Seoul National University





Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50326047
PNG
((6S,9R,12R)-1-((R)-1-((R)-2-((S)-1-((S)-5-amino-2-...)
Show SMILES C[C@@H](O)[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@H](CS)C(O)=O
Show InChI InChI=1S/C38H59N13O13S2/c1-18(52)30(35(60)48-24(16-66)38(63)64)49-32(57)21(6-8-27(40)53)45-29(55)14-43-33(58)25-4-2-10-50(25)37(62)23(12-19-13-42-17-44-19)47-34(59)26-5-3-11-51(26)36(61)22(7-9-28(41)54)46-31(56)20(39)15-65/h13,17-18,20-26,30,52,65-66H,2-12,14-16,39H2,1H3,(H2,40,53)(H2,41,54)(H,42,44)(H,43,58)(H,45,55)(H,46,56)(H,47,59)(H,48,60)(H,49,57)(H,63,64)/t18-,20+,21-,22+,23+,24-,25-,26+,30-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Laboratory of Molecular Biology, Medical Research Council

Curated by ChEMBL


Assay Description
Binding affinity to pancreatic lipase


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM246499
PNG
((1E,4E,6E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatri...)
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3.34E+3 -32.5 1.64E+4n/an/an/an/a7.437



Seoul National University





Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50242015
PNG
(CHEMBL518543 | Kuwanon C, 4 | kuwanon C)
Show SMILES CC(C)=CCc1c(O)cc(O)c2c1oc(-c1ccc(O)cc1O)c(CC=C(C)C)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...


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM246496
PNG
(2,5-Dihydroxy-7-methoxy-9,10-dihydrophenanthrene (...)
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4.96E+3 -31.5 2.51E+4n/an/an/an/a7.437



Seoul National University





Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM246488
PNG
(2',4-Dihydroxy-3,5-dihydroxy-4-methoxybibenzyl...)
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5.06E+3 -31.4 2.54E+4n/an/an/an/a7.437



Seoul National University





Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50392476
PNG
(CHEMBL2152046)
Show SMILES O[C@H]([C@H](COC(=O)c1cc(O)c(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C20H18O12/c21-11-3-1-9(5-12(11)22)2-4-16(25)32-15(18(27)19(28)29)8-31-20(30)10-6-13(23)17(26)14(24)7-10/h1-7,15,18,21-24,26-27H,8H2,(H,28,29)/b4-2+/t15-,18+/m0/s1
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n/an/a 2.60E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50213689
PNG
((S)-2-((2E,8E)-deca-2,8-dienoylamino)-3-((S)-5-hyd...)
Show SMILES COC(=O)[C@H](C[C@]1(O)C2OC2C2OC2C1=O)NC(=O)\C=C\CCCC\C=C\C
Show InChI InChI=1S/C20H27NO7/c1-3-4-5-6-7-8-9-10-13(22)21-12(19(24)26-2)11-20(25)17(23)15-14(27-15)16-18(20)28-16/h3-4,9-10,12,14-16,18,25H,5-8,11H2,1-2H3,(H,21,22)/b4-3+,10-9+/t12-,14?,15?,16?,18?,20+/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Sinhgad College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of pancreatic lipase


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50429042
PNG
(CHEMBL2334102 | Rotenoisin B)
Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4[C@@]4(C[C@H]5O[C@@]5(O)[C@H](O)O4)[C@H]3c2cc1OC)C(C)=C
Show InChI InChI=1S/C27H28O9/c1-12(2)17-8-14-16(33-17)6-5-15-24(14)34-21-11-32-18-9-20(31-4)19(30-3)7-13(18)23(21)26(15)10-22-27(29,35-22)25(28)36-26/h5-7,9,17,21-23,25,28-29H,1,8,10-11H2,2-4H3/t17-,21-,22-,23+,25-,26+,27-/m1/s1
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n/an/a 2.84E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM224807
PNG
(Gamma-irradiated rotenone | US9328123, Rotenone B)
Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4[C@@]4(CC5O[C@]5(O)[C@@H](O)O4)[C@H]3c2cc1OC)C(C)=C
Show InChI InChI=1/C27H28O9/c1-12(2)17-8-14-16(33-17)6-5-15-24(14)34-21-11-32-18-9-20(31-4)19(30-3)7-13(18)23(21)26(15)10-22-27(29,35-22)25(28)36-26/h5-7,9,17,21-23,25,28-29H,1,8,10-11H2,2-4H3/t17-,21-,22?,23+,25+,26+,27+/s2
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n/an/a 2.84E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50381001
PNG
(CHEMBL2017114)
Show SMILES COC1=CC(=O)C=CC1(O)CCCc1ccc(O)cc1
Show InChI InChI=1S/C16H18O4/c1-20-15-11-14(18)8-10-16(15,19)9-2-3-12-4-6-13(17)7-5-12/h4-8,10-11,17,19H,2-3,9H2,1H3
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n/an/a 2.84E+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 preincubated for 15 mins prior substrate addition measured after 15 ...


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM64584
PNG
(2',3,5-Trihydroxybibenzyl (2))
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6.45E+3 -30.8 2.92E+4n/an/an/an/a7.437



Seoul National University





Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50083074
PNG
(CHEMBL3422851)
Show SMILES CC1(C)Oc2cc3oc(cc3cc2C=C1)-c1cc(O)cc(O)c1
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...


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50251014
PNG
(CHEMBL465881 | moracin N)
Show SMILES CC(C)=CCc1cc2cc(oc2cc1O)-c1cc(O)cc(O)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...


Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
Batatasin IV (5)
PNG
(2-(3-hydroxy-5-methoxyphenethyl)phenol | CHEMBL228...)
Show SMILES COc1cc(O)cc(CCc2ccccc2O)c1
Show InChI InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3
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6.28E+3 -30.9 3.01E+4n/an/an/an/a7.437



Seoul National University





Citation and Details
More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM224807
PNG
(Gamma-irradiated rotenone | US9328123, Rotenone B)
Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4[C@@]4(CC5O[C@]5(O)[C@@H](O)O4)[C@H]3c2cc1OC)C(C)=C
Show InChI InChI=1/C27H28O9/c1-12(2)17-8-14-16(33-17)6-5-15-24(14)34-21-11-32-18-9-20(31-4)19(30-3)7-13(18)23(21)26(15)10-22-27(29,35-22)25(28)36-26/h5-7,9,17,21-23,25,28-29H,1,8,10-11H2,2-4H3/t17-,21-,22?,23+,25+,26+,27+/s2
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n/an/a 3.12E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50381284
PNG
(CHEMBL2018876)
Show SMILES CC(C)=CCc1c(O)cc(cc1O)-c1cc2ccc(O)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...


Citation and Details
More data for this
Ligand-Target Pair
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