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PubMed code 25119815

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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n/an/a 3n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057466
PNG
(CHEMBL3322807 | US9127027, 13 | US9422318, 13)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCSc1ccccc1O
Show InChI InChI=1S/C23H38N2O2S/c1-2-3-13-18-24-23(27)25-19-14-9-7-5-4-6-8-10-15-20-28-22-17-12-11-16-21(22)26/h4-5,11-12,16-17,26H,2-3,6-10,13-15,18-20H2,1H3,(H2,24,25,27)/b5-4-
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n/an/a 6n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057625
PNG
(CHEMBL3322818 | US9127027, 25 | US9422318, 25)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCC1=NOS(=O)N1 |t:21|
Show InChI InChI=1S/C19H36N4O3S/c1-2-3-13-16-20-19(24)21-17-14-11-9-7-5-4-6-8-10-12-15-18-22-26-27(25)23-18/h5,7H,2-4,6,8-17H2,1H3,(H,22,23)(H2,20,21,24)/b7-5-
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n/an/a 10n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057474
PNG
(CHEMBL3322808 | US9127027, 14 | US9422318, 14)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCS(=O)(=O)c1ccccc1O
Show InChI InChI=1S/C23H38N2O4S/c1-2-3-13-18-24-23(27)25-19-14-9-7-5-4-6-8-10-15-20-30(28,29)22-17-12-11-16-21(22)26/h4-5,11-12,16-17,26H,2-3,6-10,13-15,18-20H2,1H3,(H2,24,25,27)/b5-4-
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n/an/a 11n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057494
PNG
(CHEMBL3322814 | US9127027, 20 | US9127027, LGK-I-1...)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCc1nnn[nH]1
Show InChI InChI=1S/C19H36N6O/c1-2-3-13-16-20-19(26)21-17-14-11-9-7-5-4-6-8-10-12-15-18-22-24-25-23-18/h5,7H,2-4,6,8-17H2,1H3,(H2,20,21,26)(H,22,23,24,25)/b7-5-
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n/an/a 11n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057480
PNG
(CHEMBL3322809 | US9127027, 15 | US9422318, 15)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCSc1nnn[nH]1
Show InChI InChI=1S/C18H34N6OS/c1-2-3-11-14-19-17(25)20-15-12-9-7-5-4-6-8-10-13-16-26-18-21-23-24-22-18/h4-5H,2-3,6-16H2,1H3,(H2,19,20,25)(H,21,22,23,24)/b5-4-
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n/an/a 22n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057491
PNG
(CHEMBL3322812 | US9127027, 18 | US9422318, 18)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCS(=O)(=O)c1ncn[nH]1
Show InChI InChI=1S/C19H35N5O3S/c1-2-3-11-14-20-18(25)21-15-12-9-7-5-4-6-8-10-13-16-28(26,27)19-22-17-23-24-19/h4-5,17H,2-3,6-16H2,1H3,(H2,20,21,25)(H,22,23,24)/b5-4-
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n/an/a 23n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057633
PNG
(CHEMBL3322821 | US9127027, 28 | US9422318, 28)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCc1noc(=S)[nH]1
Show InChI InChI=1S/C20H36N4O2S/c1-2-3-13-16-21-19(25)22-17-14-11-9-7-5-4-6-8-10-12-15-18-23-20(27)26-24-18/h5,7H,2-4,6,8-17H2,1H3,(H2,21,22,25)(H,23,24,27)/b7-5-
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n/an/a 31n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057450
PNG
(CHEMBL3322804 | US9127027, 12 | US9422318, 12)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H39N3O3S/c1-2-3-14-19-24-23(27)25-20-15-9-7-5-4-6-8-10-16-21-26-30(28,29)22-17-12-11-13-18-22/h4-5,11-13,17-18,26H,2-3,6-10,14-16,19-21H2,1H3,(H2,24,25,27)/b5-4-
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n/an/a 32n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057497
PNG
(CHEMBL3322815 | US9127027, 22 | US9422318, 22)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCCc1nnn[nH]1
Show InChI InChI=1S/C20H38N6O/c1-2-3-14-17-21-20(27)22-18-15-12-10-8-6-4-5-7-9-11-13-16-19-23-25-26-24-19/h6,8H,2-5,7,9-18H2,1H3,(H2,21,22,27)(H,23,24,25,26)/b8-6-
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n/an/a 32n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057481
PNG
(CHEMBL3322810 | US9127027, 16 | US9422318, 16)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCSc1ncn[nH]1
Show InChI InChI=1S/C19H35N5OS/c1-2-3-11-14-20-18(25)21-15-12-9-7-5-4-6-8-10-13-16-26-19-22-17-23-24-19/h4-5,17H,2-3,6-16H2,1H3,(H2,20,21,25)(H,22,23,24)/b5-4-
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n/an/a 32n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057445
PNG
(CHEMBL3322802 | US9127027, 8 | US9422318, 8)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H41N3O4S/c1-2-3-16-21-26-25(30)27-22-17-11-9-7-5-4-6-8-10-15-20-24(29)28-33(31,32)23-18-13-12-14-19-23/h5,7,12-14,18-19H,2-4,6,8-11,15-17,20-22H2,1H3,(H,28,29)(H2,26,27,30)/b7-5-
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n/an/a 41n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057461
PNG
(CHEMBL3322806)
Show SMILES [Na+].CCCCCNC(=O)NCCCC\C=C/CCCCCCS([O-])(=O)=O
Show InChI InChI=1S/C18H36N2O4S.Na/c1-2-3-12-15-19-18(21)20-16-13-10-8-6-4-5-7-9-11-14-17-25(22,23)24;/h4,6H,2-3,5,7-17H2,1H3,(H2,19,20,21)(H,22,23,24);/q;+1/p-1/b6-4-;
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n/an/a 57n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057635
PNG
(CHEMBL3322823 | US9127027, 24 | US9422318, 24)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCC1SC(=O)NC1=O
Show InChI InChI=1S/C20H35N3O3S/c1-2-3-12-15-21-19(25)22-16-13-10-8-6-4-5-7-9-11-14-17-18(24)23-20(26)27-17/h4,6,17H,2-3,5,7-16H2,1H3,(H2,21,22,25)(H,23,24,26)/b6-4-
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n/an/a 57n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057506
PNG
(CHEMBL3322817 | US9127027, 23 | US9422318, 23)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCc1noc(=O)[nH]1
Show InChI InChI=1S/C20H36N4O3/c1-2-3-13-16-21-19(25)22-17-14-11-9-7-5-4-6-8-10-12-15-18-23-20(26)27-24-18/h5,7H,2-4,6,8-17H2,1H3,(H2,21,22,25)(H,23,24,26)/b7-5-
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n/an/a 65n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057446
PNG
(CHEMBL3322803 | US9127027, 9 | US9422318, 9)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCC(=O)NS(C)(=O)=O
Show InChI InChI=1S/C20H39N3O4S/c1-3-4-14-17-21-20(25)22-18-15-12-10-8-6-5-7-9-11-13-16-19(24)23-28(2,26)27/h6,8H,3-5,7,9-18H2,1-2H3,(H,23,24)(H2,21,22,25)/b8-6-
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n/an/a 71n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057488
PNG
(CHEMBL3322811)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCC[S+]([O-])c1ncn[nH]1
Show InChI InChI=1S/C19H35N5O2S/c1-2-3-11-14-20-18(25)21-15-12-9-7-5-4-6-8-10-13-16-27(26)19-22-17-23-24-19/h4-5,17H,2-3,6-16H2,1H3,(H2,20,21,25)(H,22,23,24)/b5-4-
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n/an/a 96n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057634
PNG
(CHEMBL3322822 | US9127027, 29 | US9422318, 29)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCc1nsc(=O)[nH]1
Show InChI InChI=1S/C20H36N4O2S/c1-2-3-13-16-21-19(25)22-17-14-11-9-7-5-4-6-8-10-12-15-18-23-20(26)27-24-18/h5,7H,2-4,6,8-17H2,1H3,(H2,21,22,25)(H,23,24,26)/b7-5-
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n/an/a 231n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057420
PNG
(CHEMBL3322797 | US9127027, 2 | US9422318, 2)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCC(=O)OCCOCCOCCO
Show InChI InChI=1S/C25H48N2O6/c1-2-3-13-16-26-25(30)27-17-14-11-9-7-5-4-6-8-10-12-15-24(29)33-23-22-32-21-20-31-19-18-28/h5,7,28H,2-4,6,8-23H2,1H3,(H2,26,27,30)/b7-5-
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n/an/a 255n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057636
PNG
(CHEMBL3322824 | US9127027, 33)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCOc1cccc2sc(NC(C)=O)nc12
Show InChI InChI=1S/C23H34N4O3S/c1-3-4-9-15-24-22(29)25-16-10-7-5-6-8-11-17-30-19-13-12-14-20-21(19)27-23(31-20)26-18(2)28/h6,8,12-14H,3-5,7,9-11,15-17H2,1-2H3,(H2,24,25,29)(H,26,27,28)/b8-6-
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n/an/a 282n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057427
PNG
(CHEMBL3322801)
Show SMILES [Na+].[Na+].CCCCCNC(=O)NCCCC\C=C/CCCCCCC(=O)N[C@@H](CC([O-])=O)C([O-])=O |r|
Show InChI InChI=1S/C23H41N3O6/c1-2-3-13-16-24-23(32)25-17-14-11-9-7-5-4-6-8-10-12-15-20(27)26-19(22(30)31)18-21(28)29/h5,7,19H,2-4,6,8-18H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H2,24,25,32)/p-2/b7-5-/t19-/m0/s1
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n/an/a 392n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057421
PNG
(CHEMBL3322798 | US9127027, 3 | US9422318, 3)
Show SMILES CCCCNC(=O)C(=O)NCCCC\C=C/CCCCCCC(=O)OCCOCCOCCO
Show InChI InChI=1S/C25H46N2O7/c1-2-3-15-26-24(30)25(31)27-16-13-11-9-7-5-4-6-8-10-12-14-23(29)34-22-21-33-20-19-32-18-17-28/h5,7,28H,2-4,6,8-22H2,1H3,(H,26,30)(H,27,31)/b7-5-
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n/an/a>500n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057423
PNG
(CHEMBL3322800 | US9127027, 6 | US9422318, 6)
Show SMILES CCCCCN(C)C(=O)N(C)CCCC\C=C/CCCCCCC(=O)NCC(O)=O
Show InChI InChI=1S/C23H43N3O4/c1-4-5-15-18-25(2)23(30)26(3)19-16-13-11-9-7-6-8-10-12-14-17-21(27)24-20-22(28)29/h7,9H,4-6,8,10-20H2,1-3H3,(H,24,27)(H,28,29)/b9-7-
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n/an/a>500n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057637
PNG
(CHEMBL3322825 | US9422318, 30)
Show SMILES CCCCCCC(=O)N(CCCCCOc1cccc2sc(NC(C)=O)nc12)C(C)C
Show InChI InChI=1S/C24H37N3O3S/c1-5-6-7-9-15-22(29)27(18(2)3)16-10-8-11-17-30-20-13-12-14-21-23(20)26-24(31-21)25-19(4)28/h12-14,18H,5-11,15-17H2,1-4H3,(H,25,26,28)
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n/an/a>500n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057493
PNG
(CHEMBL3322813 | US9422318, 19)
Show SMILES CCCCCCC(=O)N(CCCC\C=C/CCCCCCc1nnn[nH]1)C(C)C
Show InChI InChI=1S/C23H43N5O/c1-4-5-6-16-19-23(29)28(21(2)3)20-17-14-12-10-8-7-9-11-13-15-18-22-24-26-27-25-22/h8,10,21H,4-7,9,11-20H2,1-3H3,(H,24,25,26,27)/b10-8-
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n/an/a>500n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057638
PNG
(CHEMBL3322826 | US9127027, 31 | US9422318, 31)
Show SMILES CCCCCNC(=O)NCCCCCOc1cccc2sc(NC(C)=O)nc12
Show InChI InChI=1S/C20H30N4O3S/c1-3-4-6-12-21-19(26)22-13-7-5-8-14-27-16-10-9-11-17-18(16)24-20(28-17)23-15(2)25/h9-11H,3-8,12-14H2,1-2H3,(H2,21,22,26)(H,23,24,25)
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n/an/a>500n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057630
PNG
(CHEMBL3322819 | US9127027, SRD-I-71-9 | US9422318,...)
Show SMILES CCCCCCC(=O)N(CCCC\C=C/CCCCCCC1=NOS(=O)N1)C(C)C |t:21|
Show InChI InChI=1S/C23H43N3O3S/c1-4-5-6-16-19-23(27)26(21(2)3)20-17-14-12-10-8-7-9-11-13-15-18-22-24-29-30(28)25-22/h8,10,21H,4-7,9,11-20H2,1-3H3,(H,24,25)/b10-8-
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n/an/a>500n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057455
PNG
(CHEMBL3322805)
Show SMILES [Na+].[Na+].CCCCCNC(=O)NCCCC\C=C/CCCCCCP([O-])([O-])=O
Show InChI InChI=1S/C18H37N2O4P.2Na/c1-2-3-12-15-19-18(21)20-16-13-10-8-6-4-5-7-9-11-14-17-25(22,23)24;;/h4,6H,2-3,5,7-17H2,1H3,(H2,19,20,21)(H2,22,23,24);;/q;2*+1/p-2/b6-4-;;
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n/an/a>500n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057639
PNG
(CHEMBL3322827 | US9127027, 32 | US9422318, 32)
Show SMILES CCCCNC(=O)C(=O)NCCCCCOc1cccc2sc(NC(C)=O)nc12
Show InChI InChI=1S/C20H28N4O4S/c1-3-4-11-21-18(26)19(27)22-12-6-5-7-13-28-15-9-8-10-16-17(15)24-20(29-16)23-14(2)25/h8-10H,3-7,11-13H2,1-2H3,(H,21,26)(H,22,27)(H,23,24,25)
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n/an/a>500n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057422
PNG
(CHEMBL3322799 | US9422318, 5)
Show SMILES CCCCCCC(=O)N(CCCC\C=C/CCCCCCC(=O)NCC(O)=O)C(C)C
Show InChI InChI=1S/C25H46N2O4/c1-4-5-6-16-19-24(29)27(22(2)3)20-17-14-12-10-8-7-9-11-13-15-18-23(28)26-21-25(30)31/h8,10,22H,4-7,9,11-21H2,1-3H3,(H,26,28)(H,30,31)/b10-8-
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n/an/a>500n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057632
PNG
(CHEMBL3322820)
Show SMILES CCCCNC(=O)C(=O)NCCCC\C=C/CCCCCCc1noc(=S)[nH]1
Show InChI InChI=1S/C20H34N4O3S/c1-2-3-15-21-18(25)19(26)22-16-13-11-9-7-5-4-6-8-10-12-14-17-23-20(28)27-24-17/h5,7H,2-4,6,8-16H2,1H3,(H,21,25)(H,22,26)(H,23,24,28)/b7-5-
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n/an/a>500n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057419
PNG
(CHEMBL3322796 | US9422318, 1)
Show SMILES CCCCCCC(=O)N(CCCC\C=C/CCCCCCC(=O)OCCOCCOCCO)C(C)C
Show InChI InChI=1S/C29H55NO6/c1-4-5-6-15-18-28(32)30(27(2)3)20-17-14-12-10-8-7-9-11-13-16-19-29(33)36-26-25-35-24-23-34-22-21-31/h8,10,27,31H,4-7,9,11-26H2,1-3H3/b10-8-
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n/an/a>500n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50057502
PNG
(CHEMBL3322816 | US9127027, 21 | US9422318, 21)
Show SMILES CCCCNC(=O)C(=O)NCCCC\C=C/CCCCCCc1nnn[nH]1
Show InChI InChI=1S/C19H34N6O2/c1-2-3-15-20-18(26)19(27)21-16-13-11-9-7-5-4-6-8-10-12-14-17-22-24-25-23-17/h5,7H,2-4,6,8-16H2,1H3,(H,20,26)(H,21,27)(H,22,23,24,25)/b7-5-
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n/an/a>500n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay

J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%