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9 molecules are shown

Wt: 302.3
BDBM50297410
Wt: 316.3
BDBM50297413
Purchase
Wt: 376.3
BDBM50297416
Wt: 315.4
BDBM50297396
Purchase
Wt: 316.3
BDBM50297397
Purchase
Wt: 436.4
BDBM50297400
Wt: 334.4
BDBM50310818
Wt: 315.4
BDBM50327817
Wt: 262.3
BDBM50336821

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50297410,50297413,50297416,50297396,50297397,50297400,50310818,50327817,50336821   
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))
BDBM50327817
PNG
(1-(trans-2-Phenylcyclopropyl)-3-(1-propionylpiperi...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C18H25N3O2/c1-2-17(22)21-10-8-14(9-11-21)19-18(23)20-16-12-15(16)13-6-4-3-5-7-13/h3-7,14-16H,2,8-12H2,1H3,(H2,19,20,23)/t15-,16+/m1/s1
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US Patent
n/an/a 2.70n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


Assay Description
IC50 values were determined using a sensitive fluorescent based assay (Anal. Biochem. 2005, 343, 66-75). Cyano(2-methoxynaphthalen-6-yl)methyl trans-...


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50336821
PNG
(4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide |...)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C17H14N2O/c18-11-12-6-8-14(9-7-12)17(20)19-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10H2,(H,19,20)/t15-,16+/m1/s1
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n/an/a 565n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase in cell free system


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50297396
PNG
(CHEMBL556303 | N-[3,3-Bis-(4-fluorophenyl)-propyl]...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H21NO/c24-22(20-14-8-3-9-15-20)23-17-16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,23,24)
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n/an/a 7.20n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50297397
PNG
(CHEMBL571898 | N-(3,3-Diphenyl-propyl)-isonicotina...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H20N2O/c24-21(19-11-14-22-15-12-19)23-16-13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,14-15,20H,13,16H2,(H,23,24)
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n/an/a 7.60n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50297397
PNG
(CHEMBL571898 | N-(3,3-Diphenyl-propyl)-isonicotina...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H20N2O/c24-21(19-11-14-22-15-12-19)23-16-13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,14-15,20H,13,16H2,(H,23,24)
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n/an/a 7.90n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50297400
PNG
((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN2O3S/c1-31(29,30)22-12-8-19(9-13-22)23(18-6-10-21(25)11-7-18)14-15-27-24(28)20-4-2-17(16-26)3-5-20/h2-13,23H,14-15H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50297400
PNG
((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN2O3S/c1-31(29,30)22-12-8-19(9-13-22)23(18-6-10-21(25)11-7-18)14-15-27-24(28)20-4-2-17(16-26)3-5-20/h2-13,23H,14-15H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50297410
PNG
(CHEMBL563465 | N-(2,2-Diphenyl-ethyl)-nicotinamide)
Show SMILES O=C(NCC(c1ccccc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C20H18N2O/c23-20(18-12-7-13-21-14-18)22-15-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,19H,15H2,(H,22,23)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50297410
PNG
(CHEMBL563465 | N-(2,2-Diphenyl-ethyl)-nicotinamide)
Show SMILES O=C(NCC(c1ccccc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C20H18N2O/c23-20(18-12-7-13-21-14-18)22-15-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,19H,15H2,(H,22,23)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50297400
PNG
((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN2O3S/c1-31(29,30)22-12-8-19(9-13-22)23(18-6-10-21(25)11-7-18)14-15-27-24(28)20-4-2-17(16-26)3-5-20/h2-13,23H,14-15H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50297413
PNG
(CHEMBL560537 | N-(3,3-diphenyl-propyl)-nicotinamid...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50297400
PNG
((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN2O3S/c1-31(29,30)22-12-8-19(9-13-22)23(18-6-10-21(25)11-7-18)14-15-27-24(28)20-4-2-17(16-26)3-5-20/h2-13,23H,14-15H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50297413
PNG
(CHEMBL560537 | N-(3,3-diphenyl-propyl)-nicotinamid...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50297400
PNG
((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN2O3S/c1-31(29,30)22-12-8-19(9-13-22)23(18-6-10-21(25)11-7-18)14-15-27-24(28)20-4-2-17(16-26)3-5-20/h2-13,23H,14-15H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2J2


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50297400
PNG
((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN2O3S/c1-31(29,30)22-12-8-19(9-13-22)23(18-6-10-21(25)11-7-18)14-15-27-24(28)20-4-2-17(16-26)3-5-20/h2-13,23H,14-15H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/an/an/a 0.140n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase in human HepG cells assessed as conversion of epoxyeicosatienoic acid to dihydroxyeicosatrienoic acid a...


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydratase


(Homo sapiens (Human))
BDBM50297400
PNG
((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN2O3S/c1-31(29,30)22-12-8-19(9-13-22)23(18-6-10-21(25)11-7-18)14-15-27-24(28)20-4-2-17(16-26)3-5-20/h2-13,23H,14-15H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/an/an/a 0.300n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase in human HepG cells assessed as conversion of epoxyeicosatienoic acid to dihydroxyeicosatrienoic acid a...


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50297413
PNG
(CHEMBL560537 | N-(3,3-diphenyl-propyl)-nicotinamid...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24)
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n/an/a 4.80n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50297416
PNG
(4-Cyano-N-[3,3-bis-(4-fluorophenyl)-propyl]-benzam...)
Show SMILES Fc1ccc(cc1)C(CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C23H18F2N2O/c24-20-9-5-17(6-10-20)22(18-7-11-21(25)12-8-18)13-14-27-23(28)19-3-1-16(15-26)2-4-19/h1-12,22H,13-14H2,(H,27,28)
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50297396
PNG
(CHEMBL556303 | N-[3,3-Bis-(4-fluorophenyl)-propyl]...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H21NO/c24-22(20-14-8-3-9-15-20)23-17-16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,23,24)
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n/an/a 5.10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50297400
PNG
((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN2O3S/c1-31(29,30)22-12-8-19(9-13-22)23(18-6-10-21(25)11-7-18)14-15-27-24(28)20-4-2-17(16-26)3-5-20/h2-13,23H,14-15H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50297400
PNG
((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN2O3S/c1-31(29,30)22-12-8-19(9-13-22)23(18-6-10-21(25)11-7-18)14-15-27-24(28)20-4-2-17(16-26)3-5-20/h2-13,23H,14-15H2,1H3,(H,27,28)/t23-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50297413
PNG
(CHEMBL560537 | N-(3,3-diphenyl-propyl)-nicotinamid...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24)
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50297416
PNG
(4-Cyano-N-[3,3-bis-(4-fluorophenyl)-propyl]-benzam...)
Show SMILES Fc1ccc(cc1)C(CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C23H18F2N2O/c24-20-9-5-17(6-10-20)22(18-7-11-21(25)12-8-18)13-14-27-23(28)19-3-1-16(15-26)2-4-19/h1-12,22H,13-14H2,(H,27,28)
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50297413
PNG
(CHEMBL560537 | N-(3,3-diphenyl-propyl)-nicotinamid...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24)
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human soluble EH


Bioorg Med Chem Lett 19: 5864-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.074
BindingDB Entry DOI: 10.7270/Q27944SC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydratase


(Homo sapiens (Human))
BDBM50310818
PNG
(3-methyl-3-phenyl-N-((1S,2R)-2-phenylcyclopropyl)p...)
Show SMILES CC1(CCCN(C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H26N2O/c1-22(18-11-6-3-7-12-18)13-8-14-24(16-22)21(25)23-20-15-19(20)17-9-4-2-5-10-17/h2-7,9-12,19-20H,8,13-16H2,1H3,(H,23,25)/t19-,20+,22?/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


Bioorg Med Chem Lett 19: 5314-20 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.138
BindingDB Entry DOI: 10.7270/Q2S75GFP
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50310818
PNG
(3-methyl-3-phenyl-N-((1S,2R)-2-phenylcyclopropyl)p...)
Show SMILES CC1(CCCN(C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H26N2O/c1-22(18-11-6-3-7-12-18)13-8-14-24(16-22)21(25)23-20-15-19(20)17-9-4-2-5-10-17/h2-7,9-12,19-20H,8,13-16H2,1H3,(H,23,25)/t19-,20+,22?/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase


Bioorg Med Chem Lett 19: 5314-20 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.138
BindingDB Entry DOI: 10.7270/Q2S75GFP
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM50310818
PNG
(3-methyl-3-phenyl-N-((1S,2R)-2-phenylcyclopropyl)p...)
Show SMILES CC1(CCCN(C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H26N2O/c1-22(18-11-6-3-7-12-18)13-8-14-24(16-22)21(25)23-20-15-19(20)17-9-4-2-5-10-17/h2-7,9-12,19-20H,8,13-16H2,1H3,(H,23,25)/t19-,20+,22?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human microsomal epoxide hydrolase


Bioorg Med Chem Lett 19: 5314-20 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.138
BindingDB Entry DOI: 10.7270/Q2S75GFP
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50310818
PNG
(3-methyl-3-phenyl-N-((1S,2R)-2-phenylcyclopropyl)p...)
Show SMILES CC1(CCCN(C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H26N2O/c1-22(18-11-6-3-7-12-18)13-8-14-24(16-22)21(25)23-20-15-19(20)17-9-4-2-5-10-17/h2-7,9-12,19-20H,8,13-16H2,1H3,(H,23,25)/t19-,20+,22?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 channel


Bioorg Med Chem Lett 19: 5314-20 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.138
BindingDB Entry DOI: 10.7270/Q2S75GFP
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50327817
PNG
(1-(trans-2-Phenylcyclopropyl)-3-(1-propionylpiperi...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C18H25N3O2/c1-2-17(22)21-10-8-14(9-11-21)19-18(23)20-16-12-15(16)13-6-4-3-5-7-13/h3-7,14-16H,2,8-12H2,1H3,(H2,19,20,23)/t15-,16+/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant soluble epoxide hydrolase by fluorescence assay


J Med Chem 53: 7067-75 (2010)


Article DOI: 10.1021/jm100691c
BindingDB Entry DOI: 10.7270/Q2GH9J6V
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50327817
PNG
(1-(trans-2-Phenylcyclopropyl)-3-(1-propionylpiperi...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C18H25N3O2/c1-2-17(22)21-10-8-14(9-11-21)19-18(23)20-16-12-15(16)13-6-4-3-5-7-13/h3-7,14-16H,2,8-12H2,1H3,(H2,19,20,23)/t15-,16+/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by fluorescence assay


J Med Chem 53: 7067-75 (2010)


Article DOI: 10.1021/jm100691c
BindingDB Entry DOI: 10.7270/Q2GH9J6V
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50327817
PNG
(1-(trans-2-Phenylcyclopropyl)-3-(1-propionylpiperi...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C18H25N3O2/c1-2-17(22)21-10-8-14(9-11-21)19-18(23)20-16-12-15(16)13-6-4-3-5-7-13/h3-7,14-16H,2,8-12H2,1H3,(H2,19,20,23)/t15-,16+/m1/s1
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US Patent
n/an/a 7.40n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


Assay Description
IC50 values were determined using a sensitive fluorescent based assay (Anal. Biochem. 2005, 343, 66-75). Cyano(2-methoxynaphthalen-6-yl)methyl trans-...


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
More data for this
Ligand-Target Pair