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Compile Data Set for Download or QSAR

Found 27 hits of ic50 data for polymerid = 50007350   
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
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235214
PNG
(CHEMBL4084903)
Show SMILES Fc1cc(F)cc(c1)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H10F2O2/c20-13-7-12(8-14(21)9-13)18-10-17(22)16-6-5-11-3-1-2-4-15(11)19(16)23-18/h1-10H
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n/an/a 0.780n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235213
PNG
(CHEMBL4102852)
Show SMILES Fc1ccc(c(F)c1)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H10F2O2/c20-12-6-8-14(16(21)9-12)18-10-17(22)15-7-5-11-3-1-2-4-13(11)19(15)23-18/h1-10H
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n/an/a 1.40n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235212
PNG
(CHEMBL4092661)
Show SMILES Fc1cccc(F)c1-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H10F2O2/c20-14-6-3-7-15(21)18(14)17-10-16(22)13-9-8-11-4-1-2-5-12(11)19(13)23-17/h1-10H
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n/an/a 2n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50159614
PNG
(2-(2-Fluoro-phenyl)-benzo[h]chromen-4-one | CHEMBL...)
Show SMILES Fc1ccccc1-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H11FO2/c20-16-8-4-3-7-14(16)18-11-17(21)15-10-9-12-5-1-2-6-13(12)19(15)22-18/h1-11H
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n/an/a 3.20n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50159673
PNG
(2-(3-Fluoro-phenyl)-benzo[h]chromen-4-one | CHEMBL...)
Show SMILES Fc1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H11FO2/c20-14-6-3-5-13(10-14)18-11-17(21)16-9-8-12-4-1-2-7-15(12)19(16)22-18/h1-11H
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n/an/a 5.20n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235226
PNG
(CHEMBL4083931)
Show SMILES Fc1ccc(F)c(c1)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H10F2O2/c20-12-6-8-16(21)15(9-12)18-10-17(22)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10H
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n/an/a 6.80n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50159655
PNG
(2-(3-Chloro-phenyl)-benzo[h]chromen-4-one | CHEMBL...)
Show SMILES Clc1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H11ClO2/c20-14-6-3-5-13(10-14)18-11-17(21)16-9-8-12-4-1-2-7-15(12)19(16)22-18/h1-11H
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n/an/a 7n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235216
PNG
(CHEMBL4099439)
Show SMILES Brc1ccccc1-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H11BrO2/c20-16-8-4-3-7-14(16)18-11-17(21)15-10-9-12-5-1-2-6-13(12)19(15)22-18/h1-11H
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n/an/a 11n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235227
PNG
(CHEMBL4069506)
Show SMILES Clc1cccc(c1Cl)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H10Cl2O2/c20-15-7-3-6-14(18(15)21)17-10-16(22)13-9-8-11-4-1-2-5-12(11)19(13)23-17/h1-10H
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n/an/a 11n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235215
PNG
(CHEMBL4062213)
Show SMILES Fc1ccc(cc1F)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H10F2O2/c20-15-8-6-12(9-16(15)21)18-10-17(22)14-7-5-11-3-1-2-4-13(11)19(14)23-18/h1-10H
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n/an/a 14n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235228
PNG
(CHEMBL4096846)
Show SMILES Ic1ccccc1-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H11IO2/c20-16-8-4-3-7-14(16)18-11-17(21)15-10-9-12-5-1-2-6-13(12)19(15)22-18/h1-11H
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n/an/a 16n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50159609
PNG
(2-(4-Fluoro-phenyl)-benzo[h]chromen-4-one | CHEMBL...)
Show SMILES Fc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H11FO2/c20-14-8-5-13(6-9-14)18-11-17(21)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H
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n/an/a 20n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50159604
PNG
(2-(3-Nitro-phenyl)-benzo[h]chromen-4-one | CHEMBL1...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H11NO4/c21-17-11-18(13-5-3-6-14(10-13)20(22)23)24-19-15-7-2-1-4-12(15)8-9-16(17)19/h1-11H
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n/an/a 25n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235217
PNG
(CHEMBL4086963)
Show SMILES Brc1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H11BrO2/c20-14-6-3-5-13(10-14)18-11-17(21)16-9-8-12-4-1-2-7-15(12)19(16)22-18/h1-11H
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n/an/a 26n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235218
PNG
(CHEMBL4078823)
Show SMILES Brc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H11BrO2/c20-14-8-5-13(6-9-14)18-11-17(21)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H
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n/an/a 29n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235229
PNG
(CHEMBL4081273)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H10N2O6/c22-17-10-18(12-7-13(20(23)24)9-14(8-12)21(25)26)27-19-15-4-2-1-3-11(15)5-6-16(17)19/h1-10H
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n/an/a 30n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235219
PNG
(CHEMBL4063269)
Show SMILES Ic1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H11IO2/c20-14-8-5-13(6-9-14)18-11-17(21)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H
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n/an/a 34n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50159605
PNG
(2-(4-Nitro-phenyl)-benzo[h]chromen-4-one | CHEMBL1...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C19H11NO4/c21-17-11-18(13-5-8-14(9-6-13)20(22)23)24-19-15-4-2-1-3-12(15)7-10-16(17)19/h1-11H
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n/an/a 37n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235220
PNG
(CHEMBL4093364)
Show SMILES Fc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H10F4O2/c21-12-6-8-14(16(9-12)20(22,23)24)18-10-17(25)15-7-5-11-3-1-2-4-13(11)19(15)26-18/h1-10H
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n/an/a 39n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235230
PNG
(CHEMBL4097350)
Show SMILES Fc1cccc(c1-c1cc(=O)c2ccc3ccccc3c2o1)C(F)(F)F
Show InChI InChI=1S/C20H10F4O2/c21-15-7-3-6-14(20(22,23)24)18(15)17-10-16(25)13-9-8-11-4-1-2-5-12(11)19(13)26-17/h1-10H
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n/an/a 39n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235231
PNG
(CHEMBL4067460)
Show SMILES ClCc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C20H13ClO2/c21-12-13-5-7-15(8-6-13)19-11-18(22)17-10-9-14-3-1-2-4-16(14)20(17)23-19/h1-11H,12H2
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n/an/a 39n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235221
PNG
(CHEMBL4070170)
Show SMILES Fc1cc(ccc1-c1cc(=O)c2ccc3ccccc3c2o1)C(F)(F)F
Show InChI InChI=1S/C20H10F4O2/c21-16-9-12(20(22,23)24)6-8-14(16)18-10-17(25)15-7-5-11-3-1-2-4-13(11)19(15)26-18/h1-10H
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n/an/a 39n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235225
PNG
(CHEMBL4073942)
Show SMILES ClCc1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C20H13ClO2/c21-12-13-4-3-6-15(10-13)19-11-18(22)17-9-8-14-5-1-2-7-16(14)20(17)23-19/h1-11H,12H2
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n/an/a 40n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235222
PNG
(CHEMBL4080830)
Show SMILES Fc1ccc(c(c1)-c1cc(=O)c2ccc3ccccc3c2o1)C(F)(F)F
Show InChI InChI=1S/C20H10F4O2/c21-12-6-8-16(20(22,23)24)15(9-12)18-10-17(25)14-7-5-11-3-1-2-4-13(11)19(14)26-18/h1-10H
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n/an/a 41n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235223
PNG
(CHEMBL4102088)
Show SMILES Fc1cc(cc(c1)C(F)(F)F)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C20H10F4O2/c21-14-8-12(7-13(9-14)20(22,23)24)18-10-17(25)16-6-5-11-3-1-2-4-15(11)19(16)26-18/h1-10H
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n/an/a 43n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235224
PNG
(CHEMBL4088699)
Show SMILES Fc1ccc(cc1C(F)(F)F)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C20H10F4O2/c21-16-8-6-12(9-15(16)20(22,23)24)18-10-17(25)14-7-5-11-3-1-2-4-13(11)19(14)26-18/h1-10H
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n/an/a 43n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50014323
PNG
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)
Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
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n/an/a 48n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectropho...


Bioorg Med Chem Lett 27: 850-854 (2017)

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