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14 molecules are shown

Wt: 389.4
BDBM50295533
Wt: 389.4
BDBM50295534
Wt: 312.3
BDBM50295537
Wt: 326.3
BDBM50295538
Wt: 456.4
BDBM50295540
Wt: 466.5
BDBM50295541
Wt: 432.4
BDBM50295542
Wt: 389.4
BDBM50295543
Wt: 389.4
BDBM50295544
Wt: 390.4
BDBM50295545
Wt: 390.4
BDBM50295546
Wt: 439.5
BDBM50295547
Wt: 439.5
BDBM50295548
Wt: 354.4
BDBM50336822

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 141 hits for monomerid = 50295533,50295534,50295537,50295538,50295540,50295541,50295542,50295543,50295544,50295545,50295546,50295547,50295548,50336822   
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)
BDBM50336822
PNG
(4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,...)
Show SMILES CC(C)c1noc(n1)C1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C20H26N4O2/c1-13(2)18-22-19(26-23-18)15-8-10-24(11-9-15)20(25)21-17-12-16(17)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,21,25)/t16-,17+/m1/s1
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n/an/a 8.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50336822
PNG
(4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,...)
Show SMILES CC(C)c1noc(n1)C1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C20H26N4O2/c1-13(2)18-22-19(26-23-18)15-8-10-24(11-9-15)20(25)21-17-12-16(17)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,21,25)/t16-,17+/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydratase


(Homo sapiens (Human))
BDBM50295541
PNG
(4-(3-(4-(methylsulfonyl)phenyl)-1,2,4-oxadiazol-5-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H26N4O4S/c1-33(30,31)19-9-7-17(8-10-19)22-26-23(32-27-22)18-11-13-28(14-12-18)24(29)25-21-15-20(21)16-5-3-2-4-6-16/h2-10,18,20-21H,11-15H2,1H3,(H,25,29)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sEH in HEK293 cells assessed as conversion of 14,15-epoxyeicosatrienoic acid to 14,15-dihydroepoxyeicosatrienoic acid


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM50295541
PNG
(4-(3-(4-(methylsulfonyl)phenyl)-1,2,4-oxadiazol-5-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H26N4O4S/c1-33(30,31)19-9-7-17(8-10-19)22-26-23(32-27-22)18-11-13-28(14-12-18)24(29)25-21-15-20(21)16-5-3-2-4-6-16/h2-10,18,20-21H,11-15H2,1H3,(H,25,29)
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n/an/a 4.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human mEH


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50295541
PNG
(4-(3-(4-(methylsulfonyl)phenyl)-1,2,4-oxadiazol-5-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H26N4O4S/c1-33(30,31)19-9-7-17(8-10-19)22-26-23(32-27-22)18-11-13-28(14-12-18)24(29)25-21-15-20(21)16-5-3-2-4-6-16/h2-10,18,20-21H,11-15H2,1H3,(H,25,29)
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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 CYP2C9


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50295541
PNG
(4-(3-(4-(methylsulfonyl)phenyl)-1,2,4-oxadiazol-5-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H26N4O4S/c1-33(30,31)19-9-7-17(8-10-19)22-26-23(32-27-22)18-11-13-28(14-12-18)24(29)25-21-15-20(21)16-5-3-2-4-6-16/h2-10,18,20-21H,11-15H2,1H3,(H,25,29)
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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 CYP2D6


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50295541
PNG
(4-(3-(4-(methylsulfonyl)phenyl)-1,2,4-oxadiazol-5-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H26N4O4S/c1-33(30,31)19-9-7-17(8-10-19)22-26-23(32-27-22)18-11-13-28(14-12-18)24(29)25-21-15-20(21)16-5-3-2-4-6-16/h2-10,18,20-21H,11-15H2,1H3,(H,25,29)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(HUMAN)
BDBM50295541
PNG
(4-(3-(4-(methylsulfonyl)phenyl)-1,2,4-oxadiazol-5-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H26N4O4S/c1-33(30,31)19-9-7-17(8-10-19)22-26-23(32-27-22)18-11-13-28(14-12-18)24(29)25-21-15-20(21)16-5-3-2-4-6-16/h2-10,18,20-21H,11-15H2,1H3,(H,25,29)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cav 1.2 channel


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50295541
PNG
(4-(3-(4-(methylsulfonyl)phenyl)-1,2,4-oxadiazol-5-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H26N4O4S/c1-33(30,31)19-9-7-17(8-10-19)22-26-23(32-27-22)18-11-13-28(14-12-18)24(29)25-21-15-20(21)16-5-3-2-4-6-16/h2-10,18,20-21H,11-15H2,1H3,(H,25,29)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IKr channel


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50295541
PNG
(4-(3-(4-(methylsulfonyl)phenyl)-1,2,4-oxadiazol-5-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H26N4O4S/c1-33(30,31)19-9-7-17(8-10-19)22-26-23(32-27-22)18-11-13-28(14-12-18)24(29)25-21-15-20(21)16-5-3-2-4-6-16/h2-10,18,20-21H,11-15H2,1H3,(H,25,29)
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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


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50295542
PNG
(4-(5-(1-(2-phenylcyclopropylcarbamoyl)piperidin-4-...)
Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H24N4O4/c29-23(30)18-8-6-16(7-9-18)21-26-22(32-27-21)17-10-12-28(13-11-17)24(31)25-20-14-19(20)15-4-2-1-3-5-15/h1-9,17,19-20H,10-14H2,(H,25,31)(H,29,30)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sEH


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50295542
PNG
(4-(5-(1-(2-phenylcyclopropylcarbamoyl)piperidin-4-...)
Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H24N4O4/c29-23(30)18-8-6-16(7-9-18)21-26-22(32-27-21)17-10-12-28(13-11-17)24(31)25-20-14-19(20)15-4-2-1-3-5-15/h1-9,17,19-20H,10-14H2,(H,25,31)(H,29,30)
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat sEH


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50295542
PNG
(4-(5-(1-(2-phenylcyclopropylcarbamoyl)piperidin-4-...)
Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H24N4O4/c29-23(30)18-8-6-16(7-9-18)21-26-22(32-27-21)17-10-12-28(13-11-17)24(31)25-20-14-19(20)15-4-2-1-3-5-15/h1-9,17,19-20H,10-14H2,(H,25,31)(H,29,30)
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sEH in HEK293 cells assessed as conversion of 14,15-epoxyeicosatrienoic acid to 14,15-dihydroepoxyeicosatrienoic acid


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM50295542
PNG
(4-(5-(1-(2-phenylcyclopropylcarbamoyl)piperidin-4-...)
Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H24N4O4/c29-23(30)18-8-6-16(7-9-18)21-26-22(32-27-21)17-10-12-28(13-11-17)24(31)25-20-14-19(20)15-4-2-1-3-5-15/h1-9,17,19-20H,10-14H2,(H,25,31)(H,29,30)
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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 mEH


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50295542
PNG
(4-(5-(1-(2-phenylcyclopropylcarbamoyl)piperidin-4-...)
Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H24N4O4/c29-23(30)18-8-6-16(7-9-18)21-26-22(32-27-21)17-10-12-28(13-11-17)24(31)25-20-14-19(20)15-4-2-1-3-5-15/h1-9,17,19-20H,10-14H2,(H,25,31)(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50295542
PNG
(4-(5-(1-(2-phenylcyclopropylcarbamoyl)piperidin-4-...)
Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H24N4O4/c29-23(30)18-8-6-16(7-9-18)21-26-22(32-27-21)17-10-12-28(13-11-17)24(31)25-20-14-19(20)15-4-2-1-3-5-15/h1-9,17,19-20H,10-14H2,(H,25,31)(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50295542
PNG
(4-(5-(1-(2-phenylcyclopropylcarbamoyl)piperidin-4-...)
Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H24N4O4/c29-23(30)18-8-6-16(7-9-18)21-26-22(32-27-21)17-10-12-28(13-11-17)24(31)25-20-14-19(20)15-4-2-1-3-5-15/h1-9,17,19-20H,10-14H2,(H,25,31)(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(HUMAN)
BDBM50295542
PNG
(4-(5-(1-(2-phenylcyclopropylcarbamoyl)piperidin-4-...)
Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H24N4O4/c29-23(30)18-8-6-16(7-9-18)21-26-22(32-27-21)17-10-12-28(13-11-17)24(31)25-20-14-19(20)15-4-2-1-3-5-15/h1-9,17,19-20H,10-14H2,(H,25,31)(H,29,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cav 1.2 channel


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50295542
PNG
(4-(5-(1-(2-phenylcyclopropylcarbamoyl)piperidin-4-...)
Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H24N4O4/c29-23(30)18-8-6-16(7-9-18)21-26-22(32-27-21)17-10-12-28(13-11-17)24(31)25-20-14-19(20)15-4-2-1-3-5-15/h1-9,17,19-20H,10-14H2,(H,25,31)(H,29,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IKr channel


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50295542
PNG
(4-(5-(1-(2-phenylcyclopropylcarbamoyl)piperidin-4-...)
Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C24H24N4O4/c29-23(30)18-8-6-16(7-9-18)21-26-22(32-27-21)17-10-12-28(13-11-17)24(31)25-20-14-19(20)15-4-2-1-3-5-15/h1-9,17,19-20H,10-14H2,(H,25,31)(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 channel


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50295534
PNG
(CHEMBL562822 | N-((1R,2S)-2-phenylcyclopropyl)-4-(...)
Show SMILES O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-17(19)15-6-2-1-3-7-15)27-12-9-16(10-13-27)21-25-20(26-29-21)18-8-4-5-11-23-18/h1-8,11,16-17,19H,9-10,12-14H2,(H,24,28)/t17-,19+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sEH


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50295534
PNG
(CHEMBL562822 | N-((1R,2S)-2-phenylcyclopropyl)-4-(...)
Show SMILES O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-17(19)15-6-2-1-3-7-15)27-12-9-16(10-13-27)21-25-20(26-29-21)18-8-4-5-11-23-18/h1-8,11,16-17,19H,9-10,12-14H2,(H,24,28)/t17-,19+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat sEH


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50295534
PNG
(CHEMBL562822 | N-((1R,2S)-2-phenylcyclopropyl)-4-(...)
Show SMILES O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-17(19)15-6-2-1-3-7-15)27-12-9-16(10-13-27)21-25-20(26-29-21)18-8-4-5-11-23-18/h1-8,11,16-17,19H,9-10,12-14H2,(H,24,28)/t17-,19+/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sEH in HEK293 cells assessed as conversion of 14,15-epoxyeicosatrienoic acid to 14,15-dihydroepoxyeicosatrienoic acid


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM50295534
PNG
(CHEMBL562822 | N-((1R,2S)-2-phenylcyclopropyl)-4-(...)
Show SMILES O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-17(19)15-6-2-1-3-7-15)27-12-9-16(10-13-27)21-25-20(26-29-21)18-8-4-5-11-23-18/h1-8,11,16-17,19H,9-10,12-14H2,(H,24,28)/t17-,19+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human mEH


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50295534
PNG
(CHEMBL562822 | N-((1R,2S)-2-phenylcyclopropyl)-4-(...)
Show SMILES O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-17(19)15-6-2-1-3-7-15)27-12-9-16(10-13-27)21-25-20(26-29-21)18-8-4-5-11-23-18/h1-8,11,16-17,19H,9-10,12-14H2,(H,24,28)/t17-,19+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50295534
PNG
(CHEMBL562822 | N-((1R,2S)-2-phenylcyclopropyl)-4-(...)
Show SMILES O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-17(19)15-6-2-1-3-7-15)27-12-9-16(10-13-27)21-25-20(26-29-21)18-8-4-5-11-23-18/h1-8,11,16-17,19H,9-10,12-14H2,(H,24,28)/t17-,19+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50295534
PNG
(CHEMBL562822 | N-((1R,2S)-2-phenylcyclopropyl)-4-(...)
Show SMILES O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-17(19)15-6-2-1-3-7-15)27-12-9-16(10-13-27)21-25-20(26-29-21)18-8-4-5-11-23-18/h1-8,11,16-17,19H,9-10,12-14H2,(H,24,28)/t17-,19+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(HUMAN)
BDBM50295534
PNG
(CHEMBL562822 | N-((1R,2S)-2-phenylcyclopropyl)-4-(...)
Show SMILES O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-17(19)15-6-2-1-3-7-15)27-12-9-16(10-13-27)21-25-20(26-29-21)18-8-4-5-11-23-18/h1-8,11,16-17,19H,9-10,12-14H2,(H,24,28)/t17-,19+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cav 1.2 channel


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50295534
PNG
(CHEMBL562822 | N-((1R,2S)-2-phenylcyclopropyl)-4-(...)
Show SMILES O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-17(19)15-6-2-1-3-7-15)27-12-9-16(10-13-27)21-25-20(26-29-21)18-8-4-5-11-23-18/h1-8,11,16-17,19H,9-10,12-14H2,(H,24,28)/t17-,19+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IKr channel


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50295534
PNG
(CHEMBL562822 | N-((1R,2S)-2-phenylcyclopropyl)-4-(...)
Show SMILES O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-17(19)15-6-2-1-3-7-15)27-12-9-16(10-13-27)21-25-20(26-29-21)18-8-4-5-11-23-18/h1-8,11,16-17,19H,9-10,12-14H2,(H,24,28)/t17-,19+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 channel


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sEH


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat sEH


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sEH in HEK293 cells assessed as conversion of 14,15-epoxyeicosatrienoic acid to 14,15-dihydroepoxyeicosatrienoic acid


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human mEH


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(HUMAN)
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cav 1.2 channel


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IKr channel


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50295543
PNG
(CHEMBL564757 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-13-18(19)15-5-2-1-3-6-15)27-11-8-16(9-12-27)21-25-20(26-29-21)17-7-4-10-23-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,24,28)
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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


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50295544
PNG
(CHEMBL556487 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-18(19)15-4-2-1-3-5-15)27-12-8-17(9-13-27)21-25-20(26-29-21)16-6-10-23-11-7-16/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,28)
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sEH


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50295544
PNG
(CHEMBL556487 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-18(19)15-4-2-1-3-5-15)27-12-8-17(9-13-27)21-25-20(26-29-21)16-6-10-23-11-7-16/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,28)
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat sEH


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50295544
PNG
(CHEMBL556487 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-18(19)15-4-2-1-3-5-15)27-12-8-17(9-13-27)21-25-20(26-29-21)16-6-10-23-11-7-16/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,28)
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sEH in HEK293 cells assessed as conversion of 14,15-epoxyeicosatrienoic acid to 14,15-dihydroepoxyeicosatrienoic acid


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM50295544
PNG
(CHEMBL556487 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-18(19)15-4-2-1-3-5-15)27-12-8-17(9-13-27)21-25-20(26-29-21)16-6-10-23-11-7-16/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,28)
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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 mEH


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50295544
PNG
(CHEMBL556487 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-18(19)15-4-2-1-3-5-15)27-12-8-17(9-13-27)21-25-20(26-29-21)16-6-10-23-11-7-16/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50295544
PNG
(CHEMBL556487 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-18(19)15-4-2-1-3-5-15)27-12-8-17(9-13-27)21-25-20(26-29-21)16-6-10-23-11-7-16/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50295544
PNG
(CHEMBL556487 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-18(19)15-4-2-1-3-5-15)27-12-8-17(9-13-27)21-25-20(26-29-21)16-6-10-23-11-7-16/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(HUMAN)
BDBM50295544
PNG
(CHEMBL556487 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-18(19)15-4-2-1-3-5-15)27-12-8-17(9-13-27)21-25-20(26-29-21)16-6-10-23-11-7-16/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cav 1.2 channel


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50295544
PNG
(CHEMBL556487 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-18(19)15-4-2-1-3-5-15)27-12-8-17(9-13-27)21-25-20(26-29-21)16-6-10-23-11-7-16/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,28)
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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 IKr channel


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50295544
PNG
(CHEMBL556487 | N-(2-phenylcyclopropyl)-4-(3-(pyrid...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C22H23N5O2/c28-22(24-19-14-18(19)15-4-2-1-3-5-15)27-12-8-17(9-13-27)21-25-20(26-29-21)16-6-10-23-11-7-16/h1-7,10-11,17-19H,8-9,12-14H2,(H,24,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 channel


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50295545
PNG
(CHEMBL557032 | N-(2-phenylcyclopropyl)-4-(3-(pyraz...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cnccn1
Show InChI InChI=1S/C21H22N6O2/c28-21(24-17-12-16(17)14-4-2-1-3-5-14)27-10-6-15(7-11-27)20-25-19(26-29-20)18-13-22-8-9-23-18/h1-5,8-9,13,15-17H,6-7,10-12H2,(H,24,28)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sEH


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
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