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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 50268437   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50268437
PNG
((+/-)-N-((trans)-2-phenylcyclopropyl)spiro[chroman...)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ccccc1O2 |r|
Show InChI InChI=1S/C23H26N2O2/c26-22(24-20-16-19(20)17-6-2-1-3-7-17)25-14-12-23(13-15-25)11-10-18-8-4-5-9-21(18)27-23/h1-9,19-20H,10-16H2,(H,24,26)/t19-,20+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


Bioorg Med Chem Lett 19: 3398-404 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.036
BindingDB Entry DOI: 10.7270/Q20C4VP7
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50268437
PNG
((+/-)-N-((trans)-2-phenylcyclopropyl)spiro[chroman...)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ccccc1O2 |r|
Show InChI InChI=1S/C23H26N2O2/c26-22(24-20-16-19(20)17-6-2-1-3-7-17)25-14-12-23(13-15-25)11-10-18-8-4-5-9-21(18)27-23/h1-9,19-20H,10-16H2,(H,24,26)/t19-,20+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase


Bioorg Med Chem Lett 19: 3398-404 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.036
BindingDB Entry DOI: 10.7270/Q20C4VP7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50268437
PNG
((+/-)-N-((trans)-2-phenylcyclopropyl)spiro[chroman...)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ccccc1O2 |r|
Show InChI InChI=1S/C23H26N2O2/c26-22(24-20-16-19(20)17-6-2-1-3-7-17)25-14-12-23(13-15-25)11-10-18-8-4-5-9-21(18)27-23/h1-9,19-20H,10-16H2,(H,24,26)/t19-,20+/m1/s1
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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 Voltage-gated sodium channel subunit alpha Nav1.5


Bioorg Med Chem Lett 19: 3398-404 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.036
BindingDB Entry DOI: 10.7270/Q20C4VP7
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50268437
PNG
((+/-)-N-((trans)-2-phenylcyclopropyl)spiro[chroman...)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ccccc1O2 |r|
Show InChI InChI=1S/C23H26N2O2/c26-22(24-20-16-19(20)17-6-2-1-3-7-17)25-14-12-23(13-15-25)11-10-18-8-4-5-9-21(18)27-23/h1-9,19-20H,10-16H2,(H,24,26)/t19-,20+/m1/s1
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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


Bioorg Med Chem Lett 19: 3398-404 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.036
BindingDB Entry DOI: 10.7270/Q20C4VP7
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50268437
PNG
((+/-)-N-((trans)-2-phenylcyclopropyl)spiro[chroman...)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ccccc1O2 |r|
Show InChI InChI=1S/C23H26N2O2/c26-22(24-20-16-19(20)17-6-2-1-3-7-17)25-14-12-23(13-15-25)11-10-18-8-4-5-9-21(18)27-23/h1-9,19-20H,10-16H2,(H,24,26)/t19-,20+/m1/s1
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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


Bioorg Med Chem Lett 19: 3398-404 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.036
BindingDB Entry DOI: 10.7270/Q20C4VP7
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50268437
PNG
((+/-)-N-((trans)-2-phenylcyclopropyl)spiro[chroman...)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ccccc1O2 |r|
Show InChI InChI=1S/C23H26N2O2/c26-22(24-20-16-19(20)17-6-2-1-3-7-17)25-14-12-23(13-15-25)11-10-18-8-4-5-9-21(18)27-23/h1-9,19-20H,10-16H2,(H,24,26)/t19-,20+/m1/s1
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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 CYP3A4


Bioorg Med Chem Lett 19: 3398-404 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.036
BindingDB Entry DOI: 10.7270/Q20C4VP7
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM50268437
PNG
((+/-)-N-((trans)-2-phenylcyclopropyl)spiro[chroman...)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ccccc1O2 |r|
Show InChI InChI=1S/C23H26N2O2/c26-22(24-20-16-19(20)17-6-2-1-3-7-17)25-14-12-23(13-15-25)11-10-18-8-4-5-9-21(18)27-23/h1-9,19-20H,10-16H2,(H,24,26)/t19-,20+/m1/s1
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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 microsomal epoxide hydrolase


Bioorg Med Chem Lett 19: 3398-404 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.036
BindingDB Entry DOI: 10.7270/Q20C4VP7
More data for this
Ligand-Target Pair