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PubMed code 27156775

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 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...


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 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...


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 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...


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 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...


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 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...


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 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...


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 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=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 lipase


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


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 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...


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
* indicates data uncertainty>20%