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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with Target = 'Carboxylesterase' AND taxid = 9823   
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
Carboxylesterase


(Sus scrofa)
BDBM50300582
PNG
(CHEMBL573979 | Dibutyl 2,2,2-trifluoro-1-phenyleth...)
Show SMILES CCCCOP(=O)(OCCCC)OC(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H24F3O4P/c1-3-5-12-21-24(20,22-13-6-4-2)23-15(16(17,18)19)14-10-8-7-9-11-14/h7-11,15H,3-6,12-13H2,1-2H3
PDB

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Article
PubMed
156n/an/an/an/an/an/an/an/a



Institute of Physiologically Active Compounds Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase by Lineweaver-Burk analysis


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50300581
PNG
(CHEMBL575301 | Diethyl 2,2,2-trifluoro-1-phenyleth...)
Show SMILES CCOP(=O)(OCC)OC(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C12H16F3O4P/c1-3-17-20(16,18-4-2)19-11(12(13,14)15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
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PubMed
3.33E+3n/an/an/an/an/an/an/an/a



Institute of Physiologically Active Compounds Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase by Lineweaver-Burk analysis


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50300580
PNG
(CHEMBL575281 | Dimethyl 2,2,2-trifluoro-1-phenylet...)
Show SMILES COP(=O)(OC)OC(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C10H12F3O4P/c1-15-18(14,16-2)17-9(10(11,12)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3
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PubMed
6.64E+3n/an/an/an/an/an/an/an/a



Institute of Physiologically Active Compounds Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase by Lineweaver-Burk analysis


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50409669
PNG
(CHEMBL155514)
Show SMILES CCCCCC[Se](=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3O2Se/c1-2-3-4-5-6-15(14)7-8(13)9(10,11)12/h2-7H2,1H3
PDB

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PubMed
n/an/a 0.457n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine carboxylesterase.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371969
PNG
(CHEMBL270374)
Show SMILES CCCCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C13H23F3OS/c1-2-3-4-5-6-7-8-9-10-18-11-12(17)13(14,15)16/h2-11H2,1H3
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PubMed
n/an/a 1.30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371971
PNG
(CHEMBL440542)
Show SMILES CCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3OS/c1-2-3-4-5-6-14-7-8(13)9(10,11)12/h2-7H2,1H3
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PubMed
n/an/a 1.80n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371969
PNG
(CHEMBL270374)
Show SMILES CCCCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C13H23F3OS/c1-2-3-4-5-6-7-8-9-10-18-11-12(17)13(14,15)16/h2-11H2,1H3
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PubMed
n/an/a 2.20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
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PubMed
n/an/a 2.40n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371966
PNG
(CHEMBL269931)
Show SMILES CCCCCCCCCCS(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C13H23F3O2S/c1-2-3-4-5-6-7-8-9-10-19(18)11-12(17)13(14,15)16/h2-11H2,1H3
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PubMed
n/an/a 3.20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371973
PNG
(CHEMBL402615)
Show SMILES CCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C7H11F3OS/c1-2-3-4-12-5-6(11)7(8,9)10/h2-5H2,1H3
PDB

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PubMed
n/an/a 4.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371972
PNG
(CHEMBL270375)
Show SMILES CCCCCCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C15H27F3OS/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14(19)15(16,17)18/h2-13H2,1H3
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PubMed
n/an/a 5.30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371966
PNG
(CHEMBL269931)
Show SMILES CCCCCCCCCCS(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C13H23F3O2S/c1-2-3-4-5-6-7-8-9-10-19(18)11-12(17)13(14,15)16/h2-11H2,1H3
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PubMed
n/an/a 5.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
PDB

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PubMed
n/an/a 5.60n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371971
PNG
(CHEMBL440542)
Show SMILES CCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3OS/c1-2-3-4-5-6-14-7-8(13)9(10,11)12/h2-7H2,1H3
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PubMed
n/an/a 7.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371971
PNG
(CHEMBL440542)
Show SMILES CCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3OS/c1-2-3-4-5-6-14-7-8(13)9(10,11)12/h2-7H2,1H3
PDB

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PubMed
n/an/a 8.32n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine carboxylesterase.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371968
PNG
(CHEMBL273138)
Show SMILES CCCCCCCCCCCCS(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C15H27F3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-21(20)13-14(19)15(16,17)18/h2-13H2,1H3
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PubMed
n/an/a 8.60n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371959
PNG
(CHEMBL86668)
Show SMILES CCCCCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3
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PubMed
n/an/a 9.30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50409660
PNG
(CHEMBL155513)
Show SMILES CCCCCC[Se](=O)(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3O3Se/c1-2-3-4-5-6-16(14,15)7-8(13)9(10,11)12/h2-7H2,1H3
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PubMed
n/an/a 10.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine carboxylesterase.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371968
PNG
(CHEMBL273138)
Show SMILES CCCCCCCCCCCCS(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C15H27F3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-21(20)13-14(19)15(16,17)18/h2-13H2,1H3
PDB

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PubMed
n/an/a 12n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371972
PNG
(CHEMBL270375)
Show SMILES CCCCCCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C15H27F3OS/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14(19)15(16,17)18/h2-13H2,1H3
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PubMed
n/an/a 12n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50409672
PNG
(CHEMBL153080)
Show SMILES CCCCCCNCC(=O)C(F)(F)F
Show InChI InChI=1S/C9H16F3NO/c1-2-3-4-5-6-13-7-8(14)9(10,11)12/h13H,2-7H2,1H3
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PubMed
n/an/a 17.0n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine carboxylesterase.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371973
PNG
(CHEMBL402615)
Show SMILES CCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C7H11F3OS/c1-2-3-4-12-5-6(11)7(8,9)10/h2-5H2,1H3
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PubMed
n/an/a 20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371961
PNG
(CHEMBL270373)
Show SMILES CCCCCCCCS(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3O2S/c1-2-3-4-5-6-7-8-17(16)9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 23n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371959
PNG
(CHEMBL86668)
Show SMILES CCCCCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3
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n/an/a 25n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371965
PNG
(CHEMBL272075)
Show SMILES CCCCCCCCCCS(=O)(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C13H23F3O3S/c1-2-3-4-5-6-7-8-9-10-20(18,19)11-12(17)13(14,15)16/h2-11H2,1H3
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n/an/a 28n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371962
PNG
(CHEMBL155396)
Show SMILES CCCCCCS(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3O2S/c1-2-3-4-5-6-15(14)7-8(13)9(10,11)12/h2-7H2,1H3
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PubMed
n/an/a 33n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371967
PNG
(CHEMBL257071)
Show SMILES CCCCCCCCCCCCS(=O)(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C15H27F3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-22(20,21)13-14(19)15(16,17)18/h2-13H2,1H3
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PubMed
n/an/a 37n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50409670
PNG
(CHEMBL421992)
Show SMILES CCCCCCOCC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3O2/c1-2-3-4-5-6-14-7-8(13)9(10,11)12/h2-7H2,1H3
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PubMed
n/an/a 43.6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine carboxylesterase.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371967
PNG
(CHEMBL257071)
Show SMILES CCCCCCCCCCCCS(=O)(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C15H27F3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-22(20,21)13-14(19)15(16,17)18/h2-13H2,1H3
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PubMed
n/an/a 46n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50022772
PNG
(CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Dii...)
Show SMILES CC(C)OP(F)(=O)OC(C)C
Show InChI InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
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n/an/a 50n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of porcine liver carboxylesterase using [14C]GS7340 substrate


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371965
PNG
(CHEMBL272075)
Show SMILES CCCCCCCCCCS(=O)(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C13H23F3O3S/c1-2-3-4-5-6-7-8-9-10-20(18,19)11-12(17)13(14,15)16/h2-11H2,1H3
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n/an/a 63n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371960
PNG
(CHEMBL155621)
Show SMILES CCCCCCS(=O)(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3O3S/c1-2-3-4-5-6-16(14,15)7-8(13)9(10,11)12/h2-7H2,1H3
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n/an/a 100n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50409657
PNG
(CHEMBL153015)
Show SMILES CCCCCCCC(F)(F)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H15F5O/c1-2-3-4-5-6-7-9(11,12)8(16)10(13,14)15/h2-7H2,1H3
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n/an/a 115n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine carboxylesterase.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371962
PNG
(CHEMBL155396)
Show SMILES CCCCCCS(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3O2S/c1-2-3-4-5-6-15(14)7-8(13)9(10,11)12/h2-7H2,1H3
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n/an/a 170n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine carboxylesterase.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371961
PNG
(CHEMBL270373)
Show SMILES CCCCCCCCS(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3O2S/c1-2-3-4-5-6-7-8-17(16)9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 200n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371963
PNG
(CHEMBL403288)
Show SMILES CCCCS(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C7H11F3O2S/c1-2-3-4-13(12)5-6(11)7(8,9)10/h2-5H2,1H3
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n/an/a 270n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371962
PNG
(CHEMBL155396)
Show SMILES CCCCCCS(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3O2S/c1-2-3-4-5-6-15(14)7-8(13)9(10,11)12/h2-7H2,1H3
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n/an/a 280n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM22722
PNG
(1,2-diphenylethane-1,2-dione | Benzil | CHEMBL1898...)
Show SMILES O=C(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
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n/an/a 370n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50409658
PNG
(CHEMBL153177)
Show SMILES CCCCCC[Se]CC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3OSe/c1-2-3-4-5-6-14-7-8(13)9(10,11)12/h2-7H2,1H3
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n/an/a 380n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine carboxylesterase.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371964
PNG
(CHEMBL273139)
Show SMILES CCCCCCCCS(=O)(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3O3S/c1-2-3-4-5-6-7-8-18(16,17)9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 460n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371960
PNG
(CHEMBL155621)
Show SMILES CCCCCCS(=O)(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3O3S/c1-2-3-4-5-6-16(14,15)7-8(13)9(10,11)12/h2-7H2,1H3
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n/an/a 470n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371960
PNG
(CHEMBL155621)
Show SMILES CCCCCCS(=O)(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3O3S/c1-2-3-4-5-6-16(14,15)7-8(13)9(10,11)12/h2-7H2,1H3
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n/an/a 676n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine carboxylesterase.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM22722
PNG
(1,2-diphenylethane-1,2-dione | Benzil | CHEMBL1898...)
Show SMILES O=C(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
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n/an/a 830n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371964
PNG
(CHEMBL273139)
Show SMILES CCCCCCCCS(=O)(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3O3S/c1-2-3-4-5-6-7-8-18(16,17)9-10(15)11(12,13)14/h2-9H2,1H3
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n/an/a 830n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50371963
PNG
(CHEMBL403288)
Show SMILES CCCCS(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C7H11F3O2S/c1-2-3-4-13(12)5-6(11)7(8,9)10/h2-5H2,1H3
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n/an/a 970n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50358312
PNG
(CHEMBL1922541)
Show SMILES COC(=O)C(OP(C)(=O)OCC#C)C(F)(F)F
Show InChI InChI=1S/C8H10F3O5P/c1-4-5-15-17(3,13)16-6(7(12)14-2)8(9,10)11/h1,6H,5H2,2-3H3
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n/an/a 6.06E+3n/an/an/an/an/an/a



Moscow State University

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase using p-nitrophenyl acetate as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50409666
PNG
(CHEMBL152225)
Show SMILES CCCCCC[Se](=O)CC(C)=O
Show InChI InChI=1S/C9H18O2Se/c1-3-4-5-6-7-12(11)8-9(2)10/h3-8H2,1-2H3
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n/an/a 9.33E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine carboxylesterase.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50409661
PNG
(CHEMBL152843)
Show SMILES CCCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C10H17F3O/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h2-8H2,1H3
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n/an/a 2.14E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine carboxylesterase.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50358311
PNG
(CHEMBL1922540)
Show SMILES CP(=O)(OCC#C)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C7H7F6O3P/c1-3-4-15-17(2,14)16-5(6(8,9)10)7(11,12)13/h1,5H,4H2,2H3
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n/an/a 2.31E+4n/an/an/an/an/an/a



Moscow State University

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase using p-nitrophenyl acetate as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50409662
PNG
(CHEMBL152698)
Show SMILES CCCCCCCCC(=O)C(F)F
Show InChI InChI=1S/C10H18F2O/c1-2-3-4-5-6-7-8-9(13)10(11)12/h10H,2-8H2,1H3
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n/an/a 2.45E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine carboxylesterase.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
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