BDBM25738 1-adamantan-1-yl-3-{5-[2-(2-ethoxyethoxy)ethoxy]pentyl}urea::CHEMBL242655::US10383835, Compound 950::Urea-based compound, 19

SMILES CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key InChIKey=NBKGUPAYHLZPHD-UHFFFAOYSA-N

Data  12 IC50

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 12 hits for monomerid = 25738   

TargetEpoxide hydrolase B(Mycobacterium tuberculosis)
University of Alberta

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: 8.20E+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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL
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: 14nMAssay Description:Inhibition of human recombinant soluble epoxide hydrolase by fluorescent based assayMore data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL
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: 14nMAssay Description:Inhibition of human soluble epoxide hydrolase using CMNPC as substrate after 5 mins by fluorescent assayMore data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Mus musculus (Mouse))
University of California Davis

Curated by ChEMBL
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:Inhibition of mouse recombinant soluble epoxide hydrolase by fluorescent assayMore data for this Ligand-Target Pair
TargetBifunctional epoxide hydrolase 2(Rattus norvegicus)
University of California Davis

Curated by ChEMBL
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: 5nMAssay Description:Inhibition of rat recombinant soluble epoxide hydrolase by fluorescent assayMore 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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL
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: 14.1nMAssay Description:Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...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(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
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 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
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL
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: 14nMAssay Description:Inhibition of human sEH by fluorescent assayMore data for this Ligand-Target Pair