BDBM25739 4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}oxy)benzoic acid::US10383835, Compound 1471::Urea-based compound, 20::Urea-based compound, 21

SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1

InChI Key InChIKey=KNBWKJBQDAQARU-UHFFFAOYSA-N

Data  7 IC50

PDB links: 3 PDB IDs match 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 7 hits for monomerid = 25739   

TargetEpoxide hydrolase B(Mycobacterium tuberculosis)
University of Alberta

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: 1.00E+5nMpH: 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
TargetEpoxide hydrolase B(Mycobacterium tuberculosis)
University of Alberta

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: 3.40E+3nMpH: 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
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
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
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(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
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