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15 similar compounds to monomer 50278184

Compile data set for download or QSAR
Wt: 406.9
BDBM73383
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Wt: 483.4
BDBM50278126
Wt: 434.9
BDBM50278127
Wt: 469.4
BDBM50278128
Wt: 469.4
BDBM50278145
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Wt: 455.3
BDBM50278149
Wt: 595.6
BDBM50278150
Wt: 434.9
BDBM50278155
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Wt: 502.9
BDBM50278162
Wt: 483.4
BDBM50278175
Wt: 489.8
BDBM50278176
Wt: 400.5
BDBM50278182
Wt: 449.0
BDBM50278185
Wt: 452.9
BDBM50278186
Wt: 452.9
BDBM50278187

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 73383,50278126,50278127,50278128,50278145,50278149,50278150,50278155,50278162,50278175,50278176,50278182,50278185,50278186,50278187   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epoxide hydratase


(Homo sapiens (Human))
BDBM50278145
PNG
(CHEMBL469546 | N-(2,4-dichlorobenzyl)-1-(mesitylsu...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H26Cl2N2O3S/c1-14-10-15(2)21(16(3)11-14)30(28,29)26-8-6-17(7-9-26)22(27)25-13-18-4-5-19(23)12-20(18)24/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,25,27)
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n/an/a 8.10n/an/an/an/an/an/a



Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affilia...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2DZ06QW
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50278128
PNG
(CHEMBL469988 | N-(3,4-dichlorobenzyl)-1-(mesitylsu...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H26Cl2N2O3S/c1-14-10-15(2)21(16(3)11-14)30(28,29)26-8-6-18(7-9-26)22(27)25-13-17-4-5-19(23)20(24)12-17/h4-5,10-12,18H,6-9,13H2,1-3H3,(H,25,27)
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n/an/a 32n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase (unknown origin)


Bioorg Med Chem Lett 19: 2354-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM73383
PNG
(1-(Toluene-4-sulfonyl)-piperidine-4-carboxylic aci...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C20H23ClN2O3S/c1-15-6-8-18(9-7-15)27(25,26)23-12-10-16(11-13-23)20(24)22-14-17-4-2-3-5-19(17)21/h2-9,16H,10-14H2,1H3,(H,22,24)
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n/an/a 1.75E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM73383
PNG
(1-(Toluene-4-sulfonyl)-piperidine-4-carboxylic aci...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C20H23ClN2O3S/c1-15-6-8-18(9-7-15)27(25,26)23-12-10-16(11-13-23)20(24)22-14-17-4-2-3-5-19(17)21/h2-9,16H,10-14H2,1H3,(H,22,24)
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n/an/a 9.46E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1021/bi501197t
BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50278145
PNG
(CHEMBL469546 | N-(2,4-dichlorobenzyl)-1-(mesitylsu...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H26Cl2N2O3S/c1-14-10-15(2)21(16(3)11-14)30(28,29)26-8-6-17(7-9-26)22(27)25-13-18-4-5-19(23)12-20(18)24/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,25,27)
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n/an/a 20n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase (unknown origin)


Bioorg Med Chem Lett 19: 2354-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50278175
PNG
(1-(4-tert-butylphenylsulfonyl)-N-(2,4-dichlorobenz...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H28Cl2N2O3S/c1-23(2,3)18-5-8-20(9-6-18)31(29,30)27-12-10-16(11-13-27)22(28)26-15-17-4-7-19(24)14-21(17)25/h4-9,14,16H,10-13,15H2,1-3H3,(H,26,28)
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n/an/a 164n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase (unknown origin)


Bioorg Med Chem Lett 19: 2354-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50278176
PNG
(1-(4-chloro-2,5-dimethylphenylsulfonyl)-N-(2,4-dic...)
Show SMILES Cc1cc(c(C)cc1Cl)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H23Cl3N2O3S/c1-13-10-20(14(2)9-18(13)23)30(28,29)26-7-5-15(6-8-26)21(27)25-12-16-3-4-17(22)11-19(16)24/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,25,27)
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n/an/a 52.1n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase (unknown origin)


Bioorg Med Chem Lett 19: 2354-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50278149
PNG
(CHEMBL470604 | N-(2,4-dichlorobenzyl)-1-(2,4-dimet...)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H24Cl2N2O3S/c1-14-3-6-20(15(2)11-14)29(27,28)25-9-7-16(8-10-25)21(26)24-13-17-4-5-18(22)12-19(17)23/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,24,26)
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n/an/a 46.9n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase (unknown origin)


Bioorg Med Chem Lett 19: 2354-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50278150
PNG
(CHEMBL480496 | N-(2,4-dichlorobenzyl)-1-(2,4,6-tri...)
Show SMILES CC(C)(C)c1cc(c(c(c1)C(C)(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl)C(C)(C)C
Show InChI InChI=1S/C31H44Cl2N2O3S/c1-29(2,3)22-16-24(30(4,5)6)27(25(17-22)31(7,8)9)39(37,38)35-14-12-20(13-15-35)28(36)34-19-21-10-11-23(32)18-26(21)33/h10-11,16-18,20H,12-15,19H2,1-9H3,(H,34,36)
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n/an/a 44.5n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase (unknown origin)


Bioorg Med Chem Lett 19: 2354-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50278155
PNG
(CHEMBL470616 | N-(2-chlorobenzyl)-1-(mesitylsulfon...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C22H27ClN2O3S/c1-15-12-16(2)21(17(3)13-15)29(27,28)25-10-8-18(9-11-25)22(26)24-14-19-6-4-5-7-20(19)23/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,26)
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n/an/a 27.4n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase (unknown origin)


Bioorg Med Chem Lett 19: 2354-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50278182
PNG
(CHEMBL512871 | N-benzyl-1-(mesitylsulfonyl)piperid...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H28N2O3S/c1-16-13-17(2)21(18(3)14-16)28(26,27)24-11-9-20(10-12-24)22(25)23-15-19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,23,25)
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n/an/a 42n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase (unknown origin)


Bioorg Med Chem Lett 19: 2354-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50278162
PNG
(CHEMBL469360 | N-(2-chloro-5-(trifluoromethyl)benz...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C23H26ClF3N2O3S/c1-14-10-15(2)21(16(3)11-14)33(31,32)29-8-6-17(7-9-29)22(30)28-13-18-12-19(23(25,26)27)4-5-20(18)24/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,28,30)
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n/an/a 28.7n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase (unknown origin)


Bioorg Med Chem Lett 19: 2354-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50278185
PNG
(CHEMBL469572 | N-(1-(4-chlorophenyl)ethyl)-1-(mesi...)
Show SMILES CC(NC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)cc(C)cc1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H29ClN2O3S/c1-15-13-16(2)22(17(3)14-15)30(28,29)26-11-9-20(10-12-26)23(27)25-18(4)19-5-7-21(24)8-6-19/h5-8,13-14,18,20H,9-12H2,1-4H3,(H,25,27)
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n/an/a 29.1n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase (unknown origin)


Bioorg Med Chem Lett 19: 2354-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50278186
PNG
(CHEMBL512659 | N-(2-chloro-4-fluorobenzyl)-1-(mesi...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1Cl
Show InChI InChI=1S/C22H26ClFN2O3S/c1-14-10-15(2)21(16(3)11-14)30(28,29)26-8-6-17(7-9-26)22(27)25-13-18-4-5-19(24)12-20(18)23/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,25,27)
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n/an/a 54.1n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase (unknown origin)


Bioorg Med Chem Lett 19: 2354-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50278187
PNG
(CHEMBL469998 | N-(2-chloro-6-fluorobenzyl)-1-(mesi...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1c(F)cccc1Cl
Show InChI InChI=1S/C22H26ClFN2O3S/c1-14-11-15(2)21(16(3)12-14)30(28,29)26-9-7-17(8-10-26)22(27)25-13-18-19(23)5-4-6-20(18)24/h4-6,11-12,17H,7-10,13H2,1-3H3,(H,25,27)
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n/an/a 12.7n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase (unknown origin)


Bioorg Med Chem Lett 19: 2354-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50278126
PNG
(CHEMBL472423 | N-(2,4-dichloro-6-methylbenzyl)-1-(...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1c(C)cc(Cl)cc1Cl
Show InChI InChI=1S/C23H28Cl2N2O3S/c1-14-9-16(3)22(17(4)10-14)31(29,30)27-7-5-18(6-8-27)23(28)26-13-20-15(2)11-19(24)12-21(20)25/h9-12,18H,5-8,13H2,1-4H3,(H,26,28)
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n/an/a 128n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase (unknown origin)


Bioorg Med Chem Lett 19: 2354-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50278127
PNG
(CHEMBL469784 | N-(4-chlorobenzyl)-1-(mesitylsulfon...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C22H27ClN2O3S/c1-15-12-16(2)21(17(3)13-15)29(27,28)25-10-8-19(9-11-25)22(26)24-14-18-4-6-20(23)7-5-18/h4-7,12-13,19H,8-11,14H2,1-3H3,(H,24,26)
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n/an/a 50n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase (unknown origin)


Bioorg Med Chem Lett 19: 2354-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322
More data for this
Ligand-Target Pair
LANA


(Human herpesvirus 8)
BDBM73383
PNG
(1-(Toluene-4-sulfonyl)-piperidine-4-carboxylic aci...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C20H23ClN2O3S/c1-15-6-8-18(9-7-15)27(25,26)23-12-10-16(11-13-23)20(24)22-14-17-4-2-3-5-19(17)21/h2-9,16H,10-14H2,1H3,(H,22,24)
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n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair