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PubMed code 29541373

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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))
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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n/an/a 8n/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))
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))
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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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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n/an/a 15n/an/an/an/an/an/a



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))
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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n/an/a 17n/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))
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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n/an/a 20n/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))
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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n/an/a 77n/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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n/an/a 360n/an/an/an/an/an/a



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))
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
* indicates data uncertainty>20%