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Found 149 hits Enz. Inhib. hit(s) with Target = 'Carboxylesterase 1' AND taxid = 9986   
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 1


(Oryctolagus cuniculus (rabbit))
BDBM22733
PNG
(1,2-bis(4-bromophenyl)ethane-1,2-dione | Benzil-ba...)
Show SMILES Brc1ccc(cc1)C(=O)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H8Br2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
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PubMed
4.10 -47.9n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22845
PNG
(1-{[4-({4-[(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)me...)
Show SMILES O=C1N(Cc2ccc(Cc3ccc(CN4C(=O)C(=O)c5ccccc45)cc3)cc2)c2ccccc2C1=O
Show InChI InChI=1S/C31H22N2O4/c34-28-24-5-1-3-7-26(24)32(30(28)36)18-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)19-33-27-8-4-2-6-25(27)29(35)31(33)37/h1-16H,17-19H2
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PubMed
6 -46.9n/an/an/an/an/a7.425



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22759
PNG
(1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-...)
Show SMILES O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H14O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14H
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PubMed
6.10 -46.9n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM50350328
PNG
(CHEMBL1812858)
Show SMILES CCCCCCCC(=O)C(=O)CCCCCCC
Show InChI InChI=1S/C16H30O2/c1-3-5-7-9-11-13-15(17)16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3
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6.5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry


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


(Oryctolagus cuniculus (rabbit))
BDBM22747
PNG
(1,2-bis(4-bromo-3-nitrophenyl)ethane-1,2-dione | B...)
Show SMILES [O-][N+](=O)c1cc(ccc1Br)C(=O)C(=O)c1ccc(Br)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H6Br2N2O6/c15-9-3-1-7(5-11(9)17(21)22)13(19)14(20)8-2-4-10(16)12(6-8)18(23)24/h1-6H
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PubMed
8.70 -46.0n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM50350329
PNG
(CHEMBL1812859)
Show SMILES CCCCCCCCC(=O)C(=O)CCCCCCCC
Show InChI InChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
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9n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry


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


(Oryctolagus cuniculus (rabbit))
BDBM22731
PNG
(1,2-bis(4-chlorophenyl)ethane-1,2-dione | Benzil-b...)
Show SMILES Clc1ccc(cc1)C(=O)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H8Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
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PubMed
9.5 -45.8n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22748
PNG
(1-(4-methyl-3-nitrophenyl)-2-phenylethane-1,2-dion...)
Show SMILES Cc1ccc(cc1[N+]([O-])=O)C(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C15H11NO4/c1-10-7-8-12(9-13(10)16(19)20)15(18)14(17)11-5-3-2-4-6-11/h2-9H,1H3
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PubMed
11.9 -45.2n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22746
PNG
(1-[4-(bromomethyl)phenyl]-2-phenylethane-1,2-dione...)
Show SMILES BrCc1ccc(cc1)C(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C15H11BrO2/c16-10-11-6-8-13(9-7-11)15(18)14(17)12-4-2-1-3-5-12/h1-9H,10H2
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15 -44.7n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM50350327
PNG
(CHEMBL1812857)
Show SMILES CCCCCCC(=O)C(=O)CCCCCC
Show InChI InChI=1S/C14H26O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h3-12H2,1-2H3
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15.1n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry


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


(Oryctolagus cuniculus (rabbit))
BDBM22738
PNG
(1-(4-chlorophenyl)-2-(4-methylphenyl)ethane-1,2-di...)
Show SMILES Cc1ccc(cc1)C(=O)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClO2/c1-10-2-4-11(5-3-10)14(17)15(18)12-6-8-13(16)9-7-12/h2-9H,1H3
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PubMed
16.2 -44.5n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22734
PNG
(1,2-bis(3,5-difluorophenyl)ethane-1,2-dione | Benz...)
Show SMILES Fc1cc(F)cc(c1)C(=O)C(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C14H6F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6H
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PubMed
17.5 -44.3n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM50350316
PNG
(CHEMBL1812851)
Show SMILES BrC(C(=O)C(=O)C(Br)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H12Br2O2/c17-13(11-7-3-1-4-8-11)15(19)16(20)14(18)12-9-5-2-6-10-12/h1-10,13-14H
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20.5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry


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


(Oryctolagus cuniculus (rabbit))
BDBM22749
PNG
(1-(4-nitrophenyl)-2-phenylethane-1,2-dione | Benzi...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C14H9NO4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H
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PubMed
21.7 -43.7n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22737
PNG
(1-(4-chlorophenyl)-2-phenylethane-1,2-dione | Benz...)
Show SMILES Clc1ccc(cc1)C(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C14H9ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9H
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PubMed
23.9 -43.5n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22850
PNG
(1,2-Dione-Based Compound, 7 | 1,2-dicyclohexyletha...)
Show SMILES O=C(C1CCCCC1)C(=O)C1CCCCC1
Show InChI InChI=1S/C14H22O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-12H,1-10H2
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27n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry


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


(Oryctolagus cuniculus (rabbit))
BDBM50350326
PNG
(CHEMBL1812864)
Show SMILES CCCCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C14H18O2/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
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28.1n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry


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


(Oryctolagus cuniculus (rabbit))
BDBM22745
PNG
(1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1...)
Show SMILES COc1ccc(cc1OC)C(=O)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C16H13ClO4/c1-20-13-8-7-10(9-14(13)21-2)15(18)16(19)11-5-3-4-6-12(11)17/h3-9H,1-2H3
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36 -42.5n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM50350321
PNG
(CHEMBL1812856)
Show SMILES CCCCCC(=O)C(=O)CCCCC
Show InChI InChI=1S/C12H22O2/c1-3-5-7-9-11(13)12(14)10-8-6-4-2/h3-10H2,1-2H3
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38.6n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry


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


(Oryctolagus cuniculus (rabbit))
BDBM22735
PNG
(1,2-bis(3,4,5-trifluorophenyl)ethane-1,2-dione | B...)
Show SMILES Fc1cc(cc(F)c1F)C(=O)C(=O)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C14H4F6O2/c15-7-1-5(2-8(16)11(7)19)13(21)14(22)6-3-9(17)12(20)10(18)4-6/h1-4H
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PubMed
47.9 -41.8n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22740
PNG
(1,2-bis(4-methylphenyl)ethane-1,2-dione | Benzil-b...)
Show SMILES Cc1ccc(cc1)C(=O)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H14O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
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PubMed
49.6 -41.7n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22753
PNG
(1,2-bis(5-bromo-2-hydroxyphenyl)ethane-1,2-dione |...)
Show SMILES Oc1ccc(Br)cc1C(=O)C(=O)c1cc(Br)ccc1O
Show InChI InChI=1S/C14H8Br2O4/c15-7-1-3-11(17)9(5-7)13(19)14(20)10-6-8(16)2-4-12(10)18/h1-6,17-18H
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PubMed
53.5 -41.5n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22782
PNG
(2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione |...)
Show SMILES ClC1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O
Show InChI InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
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PubMed
54.8 -41.4n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22736
PNG
(4-(2-oxo-2-phenylacetyl)benzoic acid | Benzil-base...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H,(H,18,19)
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PubMed
64 -41.1n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22796
PNG
(1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-indo...)
Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl
Show InChI InChI=1S/C15H9Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1-7H,8H2
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65 -41.0n/an/an/an/an/a7.425



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22744
PNG
(1,2-bis(3-methoxyphenyl)ethane-1,2-dione | Benzil-...)
Show SMILES COc1cccc(c1)C(=O)C(=O)c1cccc(OC)c1
Show InChI InChI=1S/C16H14O4/c1-19-13-7-3-5-11(9-13)15(17)16(18)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3
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72.1 -40.8n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22842
PNG
(1-dodecyl-2,3-dihydro-1H-indole-2,3-dione | CHEMBL...)
Show SMILES CCCCCCCCCCCCN1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C20H29NO2/c1-2-3-4-5-6-7-8-9-10-13-16-21-18-15-12-11-14-17(18)19(22)20(21)23/h11-12,14-15H,2-10,13,16H2,1H3
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88 -40.3n/an/an/an/an/a7.425



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
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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103n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry


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


(Oryctolagus cuniculus (rabbit))
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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103 -39.9n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22741
PNG
(1-(3,4-dimethylphenyl)-2-phenylethane-1,2-dione | ...)
Show SMILES Cc1ccc(cc1C)C(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O2/c1-11-8-9-14(10-12(11)2)16(18)15(17)13-6-4-3-5-7-13/h3-10H,1-2H3
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108 -39.8n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM50350325
PNG
(CHEMBL1812863)
Show SMILES CCCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C13H16O2/c1-2-3-5-10-12(14)13(15)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
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110n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry


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


(Oryctolagus cuniculus (rabbit))
BDBM22739
PNG
(1-(4-methylphenyl)-2-phenylethane-1,2-dione | Benz...)
Show SMILES Cc1ccc(cc1)C(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C15H12O2/c1-11-7-9-13(10-8-11)15(17)14(16)12-5-3-2-4-6-12/h2-10H,1H3
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119 -39.5n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22818
PNG
(5-bromo-1-(2-methylprop-2-en-1-yl)-2,3-dihydro-1H-...)
Show SMILES CC(=C)CN1C(=O)C(=O)c2cc(Br)ccc12
Show InChI InChI=1S/C12H10BrNO2/c1-7(2)6-14-10-4-3-8(13)5-9(10)11(15)12(14)16/h3-5H,1,6H2,2H3
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130 -39.3n/an/an/an/an/a7.425



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22742
PNG
(1-(4-methoxyphenyl)-2-phenylethane-1,2-dione | Ben...)
Show SMILES COc1ccc(cc1)C(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C15H12O3/c1-18-13-9-7-12(8-10-13)15(17)14(16)11-5-3-2-4-6-11/h2-10H,1H3
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200 -38.2n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22732
PNG
(1,2-bis(2-chlorophenyl)ethane-1,2-dione | Benzil-b...)
Show SMILES Clc1ccccc1C(=O)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C14H8Cl2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8H
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220 -38.0n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22751
PNG
(1,2-bis(3-nitrophenyl)ethane-1,2-dione | Benzil-ba...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H8N2O6/c17-13(9-3-1-5-11(7-9)15(19)20)14(18)10-4-2-6-12(8-10)16(21)22/h1-8H
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267 -37.5n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM50350324
PNG
(CHEMBL1812862)
Show SMILES CCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C12H14O2/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
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337n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry


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


(Oryctolagus cuniculus (rabbit))
BDBM22816
PNG
(5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dio...)
Show SMILES FC(F)(F)Oc1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)
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360 -36.8n/an/an/an/an/a7.425



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22730
PNG
(1,2-bis(4-fluorophenyl)ethane-1,2-dione | Benzil-b...)
Show SMILES Fc1ccc(cc1)C(=O)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C14H8F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
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398 -36.5n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22829
PNG
(4,5-dichloro-2,3-dihydro-1H-indole-2,3-dione | Isa...)
Show SMILES Clc1ccc2NC(=O)C(=O)c2c1Cl
Show InChI InChI=1S/C8H3Cl2NO2/c9-3-1-2-4-5(6(3)10)7(12)8(13)11-4/h1-2H,(H,11,12,13)
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410 -36.5n/an/an/an/an/a7.425



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22831
PNG
(4,7-dichloro-2,3-dihydro-1H-indole-2,3-dione | Isa...)
Show SMILES Clc1ccc(Cl)c2C(=O)C(=O)Nc12
Show InChI InChI=1S/C8H3Cl2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13)
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410 -36.5n/an/an/an/an/a7.425



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22838
PNG
(6-bromo-5-methyl-2,3-dihydro-1H-indole-2,3-dione |...)
Show SMILES Cc1cc2C(=O)C(=O)Nc2cc1Br
Show InChI InChI=1S/C9H6BrNO2/c1-4-2-5-7(3-6(4)10)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)
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420 -36.4n/an/an/an/an/a7.425



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22832
PNG
(5,6-dichloro-2,3-dihydro-1H-indole-2,3-dione | Isa...)
Show SMILES Clc1cc2NC(=O)C(=O)c2cc1Cl
Show InChI InChI=1S/C8H3Cl2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)
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490 -36.0n/an/an/an/an/a7.425



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22750
PNG
(1-(2,4-dinitrophenyl)-2-phenylethane-1,2-dione | B...)
Show SMILES [O-][N+](=O)c1ccc(C(=O)C(=O)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H8N2O6/c17-13(9-4-2-1-3-5-9)14(18)11-7-6-10(15(19)20)8-12(11)16(21)22/h1-8H
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520 -35.9n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22830
PNG
(4,6-dichloro-2,3-dihydro-1H-indole-2,3-dione | Isa...)
Show SMILES Clc1cc2NC(=O)C(=O)c2c(Cl)c1
Show InChI InChI=1S/C8H3Cl2NO2/c9-3-1-4(10)6-5(2-3)11-8(13)7(6)12/h1-2H,(H,11,12,13)
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530 -35.8n/an/an/an/an/a7.425



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22743
PNG
(1,2-bis(4-methoxyphenyl)ethane-1,2-dione | Benzil-...)
Show SMILES COc1ccc(cc1)C(=O)C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
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580 -35.6n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22793
PNG
(1‐phenylindole‐2,3‐dione (Compou...)
Show SMILES O=C1N(c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H
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610 -35.5n/an/an/an/an/a7.425



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22775
PNG
(3,5-di-tert-butylcyclohexa-3,5-diene-1,2-dione | B...)
Show SMILES CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C
Show InChI InChI=1S/C14H20O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3
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736 -35.0n/an/an/an/an/a7.425



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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


(Oryctolagus cuniculus (rabbit))
BDBM22795
PNG
(1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2...)
Show SMILES Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C15H10ClNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2
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750 -35.0n/an/an/an/an/a7.425



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


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More data for this
Ligand-Target Pair
Carboxylesterase 1


(Oryctolagus cuniculus (rabbit))
BDBM22833
PNG
(5,7-dichloro-2,3-dihydro-1H-indole-2,3-dione | Isa...)
Show SMILES Clc1cc2C(=O)C(=O)Nc2c(Cl)c1
Show InChI InChI=1S/C8H3Cl2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)
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MMDB

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Article
PubMed
760 -34.9n/an/an/an/an/a7.425



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


Citation and Details
More data for this
Ligand-Target Pair
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