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14 molecules are shown

Wt: 414.4
BDBM50302473
Wt: 413.5
BDBM50302477
Wt: 331.4
BDBM50302479
Wt: 332.3
BDBM50302481
Purchase
Wt: 240.3
BDBM50297409
Purchase
Wt: 302.3
BDBM50297410
Wt: 316.3
BDBM50297413
Purchase
Wt: 315.4
BDBM50297396
Purchase
Wt: 316.3
BDBM50297397
Purchase
Wt: 352.3
BDBM50297398
Wt: 368.3
BDBM50297402
Wt: 330.4
BDBM50297406
Wt: 330.4
BDBM50297407
Wt: 316.3
BDBM50297408

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50302473,50302477,50302479,50302481,50297409,50297410,50297413,50297396,50297397,50297398,50297402,50297406,50297407,50297408   
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 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 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))
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))
BDBM50297398
PNG
(CHEMBL563216 | N-[3,3-Bis-(4-fluorophenyl)-propyl]...)
Show SMILES Fc1ccc(cc1)C(CCNC(=O)c1cccnc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H18F2N2O/c22-18-7-3-15(4-8-18)20(16-5-9-19(23)10-6-16)11-13-25-21(26)17-2-1-12-24-14-17/h1-10,12,14,20H,11,13H2,(H,25,26)
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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
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50297402
PNG
(CHEMBL563417 | N-[4,4-Bis-(4-fluorophenyl)-propyl]...)
Show SMILES Fc1ccc(cc1)C(CCNC(=O)c1ccc(=O)[nH]c1)c1ccc(F)cc1
Show InChI InChI=1S/C21H18F2N2O2/c22-17-6-1-14(2-7-17)19(15-3-8-18(23)9-4-15)11-12-24-21(27)16-5-10-20(26)25-13-16/h1-10,13,19H,11-12H2,(H,24,27)(H,25,26)
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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 hydrolase 2


(Rattus norvegicus)
BDBM50297406
PNG
(CHEMBL561479 | N-(4,4-Diphenyl-butyl)-nicotinamide)
Show SMILES O=C(NCCCC(c1ccccc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H22N2O/c25-22(20-13-7-15-23-17-20)24-16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-7,9-13,15,17,21H,8,14,16H2,(H,24,25)
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n/an/a 26n/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))
BDBM50297407
PNG
(CHEMBL563527 | N-(3,3-Diphenyl-propyl)-2-pyridine-...)
Show SMILES O=C(Cc1cccnc1)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H22N2O/c25-22(16-18-8-7-14-23-17-18)24-15-13-21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-12,14,17,21H,13,15-16H2,(H,24,25)
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n/an/a 31n/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)
BDBM50297408
PNG
(CHEMBL569141 | Pyridine-2-carboxylic Acid(4,4-Diph...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccn1
Show InChI InChI=1S/C21H20N2O/c24-21(20-13-7-8-15-22-20)23-16-14-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-13,15,19H,14,16H2,(H,23,24)
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n/an/a 43n/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)
BDBM50297409
PNG
(CHEMBL560538 | N-(3-Phenyl-propyl)-nicotinamide)
Show SMILES O=C(NCCCc1ccccc1)c1cccnc1
Show InChI InChI=1S/C15H16N2O/c18-15(14-9-5-10-16-12-14)17-11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12H,4,8,11H2,(H,17,18)
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n/an/a 70n/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))
BDBM50297408
PNG
(CHEMBL569141 | Pyridine-2-carboxylic Acid(4,4-Diph...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccn1
Show InChI InChI=1S/C21H20N2O/c24-21(20-13-7-8-15-22-20)23-16-14-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-13,15,19H,14,16H2,(H,23,24)
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n/an/a 100n/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))
BDBM50297406
PNG
(CHEMBL561479 | N-(4,4-Diphenyl-butyl)-nicotinamide)
Show SMILES O=C(NCCCC(c1ccccc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H22N2O/c25-22(20-13-7-15-23-17-20)24-16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-7,9-13,15,17,21H,8,14,16H2,(H,24,25)
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n/an/a 120n/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)
BDBM50297407
PNG
(CHEMBL563527 | N-(3,3-Diphenyl-propyl)-2-pyridine-...)
Show SMILES O=C(Cc1cccnc1)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H22N2O/c25-22(16-18-8-7-14-23-17-18)24-15-13-21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-12,14,17,21H,13,15-16H2,(H,24,25)
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n/an/a 150n/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))
BDBM50297409
PNG
(CHEMBL560538 | N-(3-Phenyl-propyl)-nicotinamide)
Show SMILES O=C(NCCCc1ccccc1)c1cccnc1
Show InChI InChI=1S/C15H16N2O/c18-15(14-9-5-10-16-12-14)17-11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12H,4,8,11H2,(H,17,18)
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n/an/a 700n/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))
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))
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))
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
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))
BDBM50297402
PNG
(CHEMBL563417 | N-[4,4-Bis-(4-fluorophenyl)-propyl]...)
Show SMILES Fc1ccc(cc1)C(CCNC(=O)c1ccc(=O)[nH]c1)c1ccc(F)cc1
Show InChI InChI=1S/C21H18F2N2O2/c22-17-6-1-14(2-7-17)19(15-3-8-18(23)9-4-15)11-12-24-21(27)16-5-10-20(26)25-13-16/h1-10,13,19H,11-12H2,(H,24,27)(H,25,26)
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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))
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)
BDBM50297398
PNG
(CHEMBL563216 | N-[3,3-Bis-(4-fluorophenyl)-propyl]...)
Show SMILES Fc1ccc(cc1)C(CCNC(=O)c1cccnc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H18F2N2O/c22-18-7-3-15(4-8-18)20(16-5-9-19(23)10-6-16)11-13-25-21(26)17-2-1-12-24-14-17/h1-10,12,14,20H,11,13H2,(H,25,26)
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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 hydrolase 2


(Rattus norvegicus)
BDBM50302473
PNG
(CHEMBL565628 | N-(3,3-diphenylpropyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)COc1ccc(cn1)C(=O)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21F3N2O2/c24-23(25,26)16-30-21-12-11-19(15-28-21)22(29)27-14-13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,20H,13-14,16H2,(H,27,29)
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n/an/a 7.80n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of rat sEH


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
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50302477
PNG
(CHEMBL566038 | N-(3,3-diphenylpropyl)-6-(2-(pyrrol...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(CCN2CCCC2)nc1
Show InChI InChI=1S/C27H31N3O/c31-27(24-13-14-25(29-21-24)16-20-30-18-7-8-19-30)28-17-15-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-6,9-14,21,26H,7-8,15-20H2,(H,28,31)
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of rat sEH


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
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50302479
PNG
(6-amino-N-(3,3-diphenylpropyl)nicotinamide | CHEMB...)
Show SMILES Nc1ccc(cn1)C(=O)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H21N3O/c22-20-12-11-18(15-24-20)21(25)23-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2,(H2,22,24)(H,23,25)
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n/an/a 8.5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of rat sEH


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
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50302481
PNG
(CHEMBL567503 | N-(3,3-diphenylpropyl)-6-oxo-1,6-di...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(=O)[nH]c1
Show InChI InChI=1S/C21H20N2O2/c24-20-12-11-18(15-23-20)21(25)22-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2,(H,22,25)(H,23,24)
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of rat sEH


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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50302473
PNG
(CHEMBL565628 | N-(3,3-diphenylpropyl)-6-(2,2,2-tri...)
Show SMILES FC(F)(F)COc1ccc(cn1)C(=O)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21F3N2O2/c24-23(25,26)16-30-21-12-11-19(15-28-21)22(29)27-14-13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,20H,13-14,16H2,(H,27,29)
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n/an/a 5.40n/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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50302477
PNG
(CHEMBL566038 | N-(3,3-diphenylpropyl)-6-(2-(pyrrol...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(CCN2CCCC2)nc1
Show InChI InChI=1S/C27H31N3O/c31-27(24-13-14-25(29-21-24)16-20-30-18-7-8-19-30)28-17-15-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-6,9-14,21,26H,7-8,15-20H2,(H,28,31)
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n/an/a 18n/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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50302479
PNG
(6-amino-N-(3,3-diphenylpropyl)nicotinamide | CHEMB...)
Show SMILES Nc1ccc(cn1)C(=O)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H21N3O/c22-20-12-11-18(15-24-20)21(25)23-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2,(H2,22,24)(H,23,25)
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n/an/a 9.10n/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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50302481
PNG
(CHEMBL567503 | N-(3,3-diphenylpropyl)-6-oxo-1,6-di...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(=O)[nH]c1
Show InChI InChI=1S/C21H20N2O2/c24-20-12-11-18(15-23-20)21(25)22-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2,(H,22,25)(H,23,24)
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n/an/a 8.10n/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
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