Compile Data Set for Download or QSAR
Found 72 Enz. Inhib. hit(s) with all data for entry = 8652
TargetEpoxide hydrolase(Equus caballus (Horse))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM50342208(4-{3-[3-(3-Cycloheptyl-ureido)-propyl]-5-phenyl-py...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CCCNC(=O)NC2CCCCCC2)cc1-c1ccccc1
Show InChI InChI=1S/C26H33N5O3S/c27-35(33,34)24-16-14-23(15-17-24)31-25(20-9-4-3-5-10-20)19-22(30-31)13-8-18-28-26(32)29-21-11-6-1-2-7-12-21/h3-5,9-10,14-17,19,21H,1-2,6-8,11-13,18H2,(H2,27,33,34)(H2,28,29,32)
Affinity DataIC50: 1nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Ovis aries (Sheep))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25741(4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)
Affinity DataIC50: 1nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase 1(Canis lupus familiaris (Dog) (Canis familiaris))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25739(4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}o...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)
Affinity DataIC50: 1nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase 1(Felis catus (Cat) (Felis silvestris catus))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25741(4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)
Affinity DataIC50: 1nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Equus caballus (Horse))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM410785(US10383835, Compound 2225 | trans-N-methyl- 4-[4- ...)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C25H35N3O3/c1-26-23(29)19-2-6-21(7-3-19)31-22-8-4-20(5-9-22)27-24(30)28-25-13-16-10-17(14-25)12-18(11-16)15-25/h2-3,6-7,16-18,20,22H,4-5,8-15H2,1H3,(H,26,29)(H2,27,28,30)/t16?,17?,18?,20?,22-,25?
Affinity DataIC50: 1nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpoxide hydrolase(Ovis aries (Sheep))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM410785(US10383835, Compound 2225 | trans-N-methyl- 4-[4- ...)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C25H35N3O3/c1-26-23(29)19-2-6-21(7-3-19)31-22-8-4-20(5-9-22)27-24(30)28-25-13-16-10-17(14-25)12-18(11-16)15-25/h2-3,6-7,16-18,20,22H,4-5,8-15H2,1H3,(H,26,29)(H2,27,28,30)/t16?,17?,18?,20?,22-,25?
Affinity DataIC50: 1nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpoxide hydrolase 1(Felis catus (Cat) (Felis silvestris catus))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM410785(US10383835, Compound 2225 | trans-N-methyl- 4-[4- ...)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C25H35N3O3/c1-26-23(29)19-2-6-21(7-3-19)31-22-8-4-20(5-9-22)27-24(30)28-25-13-16-10-17(14-25)12-18(11-16)15-25/h2-3,6-7,16-18,20,22H,4-5,8-15H2,1H3,(H,26,29)(H2,27,28,30)/t16?,17?,18?,20?,22-,25?
Affinity DataIC50: 1nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEpoxide hydrolase(Equus caballus (Horse))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM158487(US10383835, Compound 2226 | US9029401, 2253)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H23ClF3N3O3/c1-27-20(30)13-2-7-16(8-3-13)32-17-9-4-14(5-10-17)28-21(31)29-15-6-11-19(23)18(12-15)22(24,25)26/h2-3,6-8,11-12,14,17H,4-5,9-10H2,1H3,(H,27,30)(H2,28,29,31)/t14?,17-
Affinity DataIC50: 1nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Ovis aries (Sheep))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM158487(US10383835, Compound 2226 | US9029401, 2253)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H23ClF3N3O3/c1-27-20(30)13-2-7-16(8-3-13)32-17-9-4-14(5-10-17)28-21(31)29-15-6-11-19(23)18(12-15)22(24,25)26/h2-3,6-8,11-12,14,17H,4-5,9-10H2,1H3,(H,27,30)(H2,28,29,31)/t14?,17-
Affinity DataIC50: 1nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Equus caballus (Horse))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM158485(US10383835, Compound 2228 | US9029401, 2227)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H24F3N3O4/c1-26-20(29)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)27-21(30)28-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H,26,29)(H2,27,28,30)/t15?,18-
Affinity DataIC50: 1nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Ovis aries (Sheep))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM158485(US10383835, Compound 2228 | US9029401, 2227)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H24F3N3O4/c1-26-20(29)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)27-21(30)28-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H,26,29)(H2,27,28,30)/t15?,18-
Affinity DataIC50: 1nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase 1(Felis catus (Cat) (Felis silvestris catus))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM158485(US10383835, Compound 2228 | US9029401, 2227)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H24F3N3O4/c1-26-20(29)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)27-21(30)28-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H,26,29)(H2,27,28,30)/t15?,18-
Affinity DataIC50: 2nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Ovis aries (Sheep))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM50342208(4-{3-[3-(3-Cycloheptyl-ureido)-propyl]-5-phenyl-py...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CCCNC(=O)NC2CCCCCC2)cc1-c1ccccc1
Show InChI InChI=1S/C26H33N5O3S/c27-35(33,34)24-16-14-23(15-17-24)31-25(20-9-4-3-5-10-20)19-22(30-31)13-8-18-28-26(32)29-21-11-6-1-2-7-12-21/h3-5,9-10,14-17,19,21H,1-2,6-8,11-13,18H2,(H2,27,33,34)(H2,28,29,32)
Affinity DataIC50: 2nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Ovis aries (Sheep))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25738(1-adamantan-1-yl-3-{5-[2-(2-ethoxyethoxy)ethoxy]pe...)
Show SMILES CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H40N2O4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-23-21(25)24-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H2,23,24,25)
Affinity DataIC50: 3nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Ovis aries (Sheep))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25737(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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)
Affinity DataIC50: 3nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase 1(Felis catus (Cat) (Felis silvestris catus))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25737(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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)
Affinity DataIC50: 3nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Equus caballus (Horse))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25741(4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)
Affinity DataIC50: 3nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase 1(Canis lupus familiaris (Dog) (Canis familiaris))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25737(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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)
Affinity DataIC50: 3nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase 1(Canis lupus familiaris (Dog) (Canis familiaris))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25741(4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)
Affinity DataIC50: 4nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase 1(Felis catus (Cat) (Felis silvestris catus))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM158487(US10383835, Compound 2226 | US9029401, 2253)
Show SMILES CNC(=O)c1ccc(O[C@H]2CCC(CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H23ClF3N3O3/c1-27-20(30)13-2-7-16(8-3-13)32-17-9-4-14(5-10-17)28-21(31)29-15-6-11-19(23)18(12-15)22(24,25)26/h2-3,6-8,11-12,14,17H,4-5,9-10H2,1H3,(H,27,30)(H2,28,29,31)/t14?,17-
Affinity DataIC50: 4nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Ovis aries (Sheep))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25739(4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}o...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)
Affinity DataIC50: 5nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase 1(Felis catus (Cat) (Felis silvestris catus))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25741(4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)
Affinity DataIC50: 5nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase 1(Felis catus (Cat) (Felis silvestris catus))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25739(4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}o...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)
Affinity DataIC50: 6nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Sus scrofa (Pig))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25738(1-adamantan-1-yl-3-{5-[2-(2-ethoxyethoxy)ethoxy]pe...)
Show SMILES CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H40N2O4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-23-21(25)24-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H2,23,24,25)
Affinity DataIC50: 6nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Ovis aries (Sheep))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25741(4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)
Affinity DataIC50: 6nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Sus scrofa (Pig))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25739(4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}o...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)
Affinity DataIC50: 8nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase 1(Homo sapiens (Human))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM100357(US10383835, Compound 3d | US11123311, Compound 3d ...)
Show SMILES O=C(NC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H33N3O/c27-22(25-23-13-18-10-19(14-23)12-20(11-18)15-23)24-21-6-8-26(9-7-21)16-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H2,24,25,27)
Affinity DataIC50: 10nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Equus caballus (Horse))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25739(4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}o...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)
Affinity DataIC50: 10nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Sus scrofa (Pig))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25737(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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)
Affinity DataIC50: 11nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Sus scrofa (Pig))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25741(4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)
Affinity DataIC50: 12nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Sus scrofa (Pig))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM100423(US10383835, Compound 1153 | US11123311, Compound A...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
Affinity DataIC50: 13nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Ovis aries (Sheep))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM50327846(1-(1-(Cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(t...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C17H20F3N3O3/c18-17(19,20)26-14-5-3-12(4-6-14)21-16(25)22-13-7-9-23(10-8-13)15(24)11-1-2-11/h3-6,11,13H,1-2,7-10H2,(H2,21,22,25)
Affinity DataIC50: 18nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Equus caballus (Horse))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25737(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
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)
Affinity DataIC50: 21nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Equus caballus (Horse))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25738(1-adamantan-1-yl-3-{5-[2-(2-ethoxyethoxy)ethoxy]pe...)
Show SMILES CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H40N2O4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-23-21(25)24-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H2,23,24,25)
Affinity DataIC50: 23nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase 1(Felis catus (Cat) (Felis silvestris catus))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25738(1-adamantan-1-yl-3-{5-[2-(2-ethoxyethoxy)ethoxy]pe...)
Show SMILES CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H40N2O4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-23-21(25)24-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H2,23,24,25)
Affinity DataIC50: 27nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Equus caballus (Horse))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM50327846(1-(1-(Cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(t...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C17H20F3N3O3/c18-17(19,20)26-14-5-3-12(4-6-14)21-16(25)22-13-7-9-23(10-8-13)15(24)11-1-2-11/h3-6,11,13H,1-2,7-10H2,(H2,21,22,25)
Affinity DataIC50: 28nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Equus caballus (Horse))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25741(4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)
Affinity DataIC50: 29nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Ovis aries (Sheep))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25745(3-(1-methanesulfonylpiperidin-4-yl)-1-[4-(trifluor...)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H18F3N3O4S/c1-25(22,23)20-8-6-11(7-9-20)19-13(21)18-10-2-4-12(5-3-10)24-14(15,16)17/h2-5,11H,6-9H2,1H3,(H2,18,19,21)
Affinity DataIC50: 30nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Ovis aries (Sheep))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM50327848(1-(1-(Ethylsulfonyl)piperidin-4-yl)-3-(4-(trifluor...)
Show SMILES CCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H20F3N3O4S/c1-2-26(23,24)21-9-7-12(8-10-21)20-14(22)19-11-3-5-13(6-4-11)25-15(16,17)18/h3-6,12H,2,7-10H2,1H3,(H2,19,20,22)
Affinity DataIC50: 33nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Equus caballus (Horse))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM50327848(1-(1-(Ethylsulfonyl)piperidin-4-yl)-3-(4-(trifluor...)
Show SMILES CCS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H20F3N3O4S/c1-2-26(23,24)21-9-7-12(8-10-21)20-14(22)19-11-3-5-13(6-4-11)25-15(16,17)18/h3-6,12H,2,7-10H2,1H3,(H2,19,20,22)
Affinity DataIC50: 39nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Ovis aries (Sheep))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM50327809(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
Affinity DataIC50: 44nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Ovis aries (Sheep))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25730(3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea | US...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
Affinity DataIC50: 56nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Equus caballus (Horse))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25745(3-(1-methanesulfonylpiperidin-4-yl)-1-[4-(trifluor...)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H18F3N3O4S/c1-25(22,23)20-8-6-11(7-9-20)19-13(21)18-10-2-4-12(5-3-10)24-14(15,16)17/h2-5,11H,6-9H2,1H3,(H2,18,19,21)
Affinity DataIC50: 59nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Sus scrofa (Pig))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25745(3-(1-methanesulfonylpiperidin-4-yl)-1-[4-(trifluor...)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H18F3N3O4S/c1-25(22,23)20-8-6-11(7-9-20)19-13(21)18-10-2-4-12(5-3-10)24-14(15,16)17/h2-5,11H,6-9H2,1H3,(H2,18,19,21)
Affinity DataIC50: 60nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Sus scrofa (Pig))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25730(3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea | US...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
Affinity DataIC50: 61nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Ovis aries (Sheep))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM100423(US10383835, Compound 1153 | US11123311, Compound A...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
Affinity DataIC50: 67nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Equus caballus (Horse))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM50327809(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
Affinity DataIC50: 68nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase 1(Canis lupus familiaris (Dog) (Canis familiaris))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM25738(1-adamantan-1-yl-3-{5-[2-(2-ethoxyethoxy)ethoxy]pe...)
Show SMILES CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H40N2O4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-23-21(25)24-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H2,23,24,25)
Affinity DataIC50: 86nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase 1(Homo sapiens (Human))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM100361(US10383835, Compound 4d | US11123311, Compound 4d ...)
Show SMILES O=C(NCC1CCN(Cc2ccccc2)CC1)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H35N3O/c28-23(26-24-13-20-10-21(14-24)12-22(11-20)15-24)25-16-18-6-8-27(9-7-18)17-19-4-2-1-3-5-19/h1-5,18,20-22H,6-17H2,(H2,25,26,28)
Affinity DataIC50: 110nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Equus caballus (Horse))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM100423(US10383835, Compound 1153 | US11123311, Compound A...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
Affinity DataIC50: 121nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
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