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Compile Data Set for Download or QSAR

Found 150 hits of ic50 data for polymerid = 50000075,9599   
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 lipase


(Homo sapiens (Human))
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


J Nat Prod 69: 1577-81 (2006)

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


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


Citation and Details
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


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


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 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)

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 ...


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

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...


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

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)
Show SMILES CC(C)=CCC\C(C)=C/CC\C(C)=C/Cc1c(O)cc(O)c(CC=C(C)C)c1-c1cc2ccc(O)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...


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


(Sus scrofa (Pig))
BDBM50168022
PNG
(CHEMBL3797266)
Show SMILES CC(C)=CCC\C(C)=C/Cc1c(O)ccc2cc(oc12)-c1cc(O)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...


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


(Sus scrofa (Pig))
BDBM50168023
PNG
(CHEMBL3800628)
Show SMILES COc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1C\C=C(\C)CC\C=C(\C)CCC=C(C)C
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...


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 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, ...


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 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)

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


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

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


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


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


(Sus scrofa (Pig))
BDBM50168019
PNG
(CHEMBL3798170)
Show SMILES CC(C)=CCC\C(C)=C/Cc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)c(CC=C(C)C)c1O
Show InChI InChI=1/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-/s2
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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...


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


(Sus scrofa (Pig))
BDBM50168021
PNG
(CHEMBL3800241)
Show SMILES CC(C)=CCCC1(C)Oc2cc(cc(O)c2C=C1)-c1cc2ccc(O)cc2o1
Show InChI InChI=1/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...


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


(Homo sapiens (Human))
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 806n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL




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


(Sus scrofa (Pig))
BDBM50168018
PNG
(CHEMBL3798236)
Show SMILES COc1cc(O)cc(\C=C\c2ccc(O)cc2)c1C\C=C(\C)CCC=C(C)C
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...


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


(Sus scrofa (Pig))
BDBM50168020
PNG
(CHEMBL3797932)
Show SMILES COc1cc(O)cc(-c2cc3ccc(O)c(C\C=C(\C)CCC=C(C)C)c3o2)c1CC=C(C)C
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...


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 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)

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 -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)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens (Human))
BDBM50232349
PNG
(CHEMBL4102155)
PDB
MMDB

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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50215413
PNG
(CHEMBL360443)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=C)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
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n/an/a 3.44E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL




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...


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

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


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

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/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, ...


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


(Sus scrofa (Pig))
BDBM50207386
PNG
(CHEMBL3967165)
Show SMILES COc1ccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc1OC
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n/an/a 6.31E+3n/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)

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 triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50207381
PNG
(CHEMBL3934940)
Show SMILES COc1cc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc(OC)c1OC
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n/an/a 8.72E+3n/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)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM246486
PNG
(3,3',5-Trihydroxy-2'-methoxybibenzyl (3))
Show SMILES COc1c(O)cccc1CCc1cc(O)cc(O)c1
Show InChI InChI=1S/C15H16O4/c1-19-15-11(3-2-4-14(15)18)6-5-10-7-12(16)9-13(17)8-10/h2-4,7-9,16-18H,5-6H2,1H3
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1.82E+3 -8.14 8.77E+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)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens (Human))
BDBM50232348
PNG
(CHEMBL4077903)
PDB
MMDB

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n/an/a 9.00E+3n/an/an/an/an/an/a


TBA



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


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

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...)
Show SMILES Oc1ccc(CCC(=O)\C=C\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+
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1.92E+3 -8.11 9.12E+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)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207370
PNG
(CHEMBL3896540)
Show SMILES COc1cc(NC(=O)C(=O)c2ccc3[nH]c4ccccc4c3c2)cc(OC)c1OC
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n/an/a 9.58E+3n/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)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens (Human))
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
PDB
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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)


J Med Chem 47: 400-10 (2004)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens (Human))
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)


J Med Chem 47: 400-10 (2004)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM246501
PNG
((4E,6E)-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxy...)
Show SMILES COc1cc(\C=C\C=C\C(=O)CCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H20O4/c1-24-20-14-16(9-13-19(20)23)4-2-3-5-17(21)10-6-15-7-11-18(22)12-8-15/h2-5,7-9,11-14,22-23H,6,10H2,1H3/b4-2+,5-3+
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2.17E+3 -8.03 1.11E+4n/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)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207390
PNG
(CHEMBL3976270)
Show SMILES CCn1c2ccccc2c2cc(ccc12)C(=O)C(=O)Nc1cc(OC)c(OC)c(OC)c1
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n/an/a 1.14E+4n/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)

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


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

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM246493
PNG
(3,5-Dimethoxy-2,7-phenanthrenediol (11))
Show SMILES COc1cc2c(ccc3cc(O)cc(OC)c23)cc1O
Show InChI InChI=1S/C16H14O4/c1-19-14-8-12-9(6-13(14)18)3-4-10-5-11(17)7-15(20-2)16(10)12/h3-8,17-18H,1-2H3
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2.67E+3 -7.90 1.27E+4n/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)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens (Human))
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


Bioorg Med Chem 15: 4674-99 (2007)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM246485
PNG
(Tristin (1))
Show SMILES COc1cc(CCc2cc(O)cc(O)c2)ccc1O
Show InChI InChI=1S/C15H16O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h4-9,16-18H,2-3H2,1H3
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2.75E+3 -7.89 1.35E+4n/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)

More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50207395
PNG
(CHEMBL3908464)
Show SMILES Cc1ccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc1
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n/an/a 1.35E+4n/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)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207371
PNG
(CHEMBL3979181)
Show SMILES Clc1ccc(Cn2c3ccccc3c3cc(ccc23)C(=O)C(=O)Nc2ccccc2)cc1
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n/an/a 1.39E+4n/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)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207379
PNG
(CHEMBL3944368)
Show SMILES CN(C)c1ccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc1
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n/an/a 1.48E+4n/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)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207388
PNG
(CHEMBL3906649)
Show SMILES COc1ccc(NC(=O)C(=O)c2ccc3n(Cc4ccc(Cl)cc4)c4ccccc4c3c2)cc1
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n/an/a 1.48E+4n/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)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Sus scrofa (Pig))
BDBM50207373
PNG
(CHEMBL3931385)
Show SMILES CCn1c2ccccc2c2cc(ccc12)C(=O)C(=O)Nc1ccc2ncccc2c1
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PubMed
n/an/a 1.55E+4n/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)

More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens (Human))
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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MMDB

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UniChem
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PubMed
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


Nat Chem Biol 5: 502-7 (2009)

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...)
Show SMILES Oc1ccc(\C=C\C=C\C(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H16O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-14,21-22H/b3-1+,4-2+,10-7+
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PubMed
3.34E+3 -7.77 1.64E+4n/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)

More data for this
Ligand-Target Pair
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