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Compile Data Set for Download or QSAR

Found 1579 hits Enz. Inhib. hit(s) with Target = 'Carboxylesterase'   
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 2


(Homo sapiens)
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
NCI pathway
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Article
PubMed
n/an/a 0.178n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


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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Article
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.


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Mus musculus)
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
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Article
PubMed
n/an/a 0.501n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.


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 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
PDB

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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
PDB

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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 2


(Homo sapiens)
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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Article
PubMed
n/an/a 3.39n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


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
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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 2


(Homo sapiens)
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 5.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


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 2


(Homo sapiens)
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
NCI pathway
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PubMed
n/an/a 5.80n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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 6.92n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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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PubMed
n/an/a 7.40n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 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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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
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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.


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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 8.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 5 mins


Citation and Details
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 1


(Oryctolagus cuniculus (rabbit))
BDBM50063239
PNG
(CHEMBL161638 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...)
Show SMILES CCCCCCCCCCCCOC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C33H49NO3/c1-6-7-8-9-10-11-12-13-14-18-24-37-33(36)30(27-20-16-15-17-21-27)32(35)34-31-28(25(2)3)22-19-23-29(31)26(4)5/h15-17,19-23,25-26,30H,6-14,18,24H2,1-5H3,(H,34,35)
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase by microsomal LAI assay


Citation and Details
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM33902
PNG
(3-[(4-tert-butylbenzoyl)amino]-1H-1,2,4-triazole-5...)
Show SMILES COC(=O)c1nnc(NC(=O)c2ccc(cc2)C(C)(C)C)[nH]1
Show InChI InChI=1S/C15H18N4O3/c1-15(2,3)10-7-5-9(6-8-10)12(20)17-14-16-11(18-19-14)13(21)22-4/h5-8H,1-4H3,(H2,16,17,18,19,20)
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PCBioAssay
n/an/a 10.4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)

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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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.


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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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PubMed
n/an/a 11n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 5 mins


Citation and Details
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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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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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 2


(Mus musculus)
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 12.6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Mus musculus)
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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n/an/a 13.2n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.


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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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.


Citation and Details
More data for this
Ligand-Target Pair
Triacylglycerol Hydrolase


(Homo sapiens (human))
BDBM23031
PNG
(7-(naphthalen-2-yl)-1-[5-(pyridin-2-yl)-1,3-oxazol...)
Show SMILES O=C(CCCCCCc1ccc2ccccc2c1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C25H24N2O2/c28-23(25-27-18-24(29-25)22-12-7-8-16-26-22)13-4-2-1-3-9-19-14-15-20-10-5-6-11-21(20)17-19/h5-8,10-12,14-18H,1-4,9,13H2
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n/an/a 20n/an/an/an/a8.037



The Scripps Research Institute



Assay Description
Inhibition of TGH activity was assayed using COS-7 expressed TGH and the chromogenic substrate. IC50 values were determined from the inhibition obser...


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
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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 2


(Homo sapiens)
BDBM50154561
PNG
(CHEMBL3774603)
Show SMILES CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
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n/an/a 20n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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 20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase 1


(Oryctolagus cuniculus (rabbit))
BDBM50063239
PNG
(CHEMBL161638 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...)
Show SMILES CCCCCCCCCCCCOC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C33H49NO3/c1-6-7-8-9-10-11-12-13-14-18-24-37-33(36)30(27-20-16-15-17-21-27)32(35)34-31-28(25(2)3)22-19-23-29(31)26(4)5/h15-17,19-23,25-26,30H,6-14,18,24H2,1-5H3,(H,34,35)
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase by microsomal MAI2 assay


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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 21n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 15 mins


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Mus musculus)
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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n/an/a 22.4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.


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
Factor XIIa


(Homo sapiens (Human))
BDBM33857
PNG
(MLS000708242 | SMR000287709 | [5-amino-3-(2-furany...)
Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccco1
Show InChI InChI=1S/C15H14N4O4/c1-21-10-6-5-9(8-12(10)22-2)14(20)19-15(16)17-13(18-19)11-4-3-7-23-11/h3-8H,1-2H3,(H2,16,17,18)
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n/an/a 23.6n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)

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 2


(Homo sapiens)
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 26n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 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
Factor XIIa


(Homo sapiens (Human))
BDBM33896
PNG
(3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazole-5-car...)
Show SMILES COC(=O)c1nnc(NC(=O)c2ccc(F)cc2)[nH]1
Show InChI InChI=1S/C11H9FN4O3/c1-19-10(18)8-13-11(16-15-8)14-9(17)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14,15,16,17)
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n/an/a 29.6n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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 32.4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


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 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 2


(Homo sapiens)
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 36n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 5 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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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 2


(Homo sapiens)
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 38n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 5 mins


Citation and Details
More data for this
Ligand-Target Pair
Triacylglycerol Hydrolase


(Homo sapiens (human))
BDBM23079
PNG
(3-[4-(benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazo...)
Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1
Show InChI InChI=1S/C22H18N2O3/c25-19(22-24-21-20(27-22)7-4-14-23-21)13-10-16-8-11-18(12-9-16)26-15-17-5-2-1-3-6-17/h1-9,11-12,14H,10,13,15H2
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n/an/a 40n/an/an/an/a8.037



The Scripps Research Institute



Assay Description
Inhibition of TGH activity was assayed using COS-7 expressed TGH and the chromogenic substrate. IC50 values were determined from the inhibition obser...


Citation and Details
More data for this
Ligand-Target Pair
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