BDBM25741 4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid::US10383835, Compound 1728::Urea-based compound, 22

SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1

InChI Key InChIKey=XDVFKCZZXOGEMN-UHFFFAOYSA-N

Data  10 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 25741   

TargetEpoxide hydrolase B(Mycobacterium tuberculosis)
University of Alberta

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: 1.21E+4nMpH: 7.0 T: 2°CAssay Description:Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...More data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
University of California

Curated by ChEMBL
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: 0.900nMAssay Description:Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...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(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(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 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(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(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
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
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