BDBM50268380 (+/-)-4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-2,4'-piperidine]-1'-carboxamide::4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-2,4'-piperidine]-1'-carboxamide::4-oxo-N-((trans)-2-phenylcyclopropyl)spiro[chroman-2,4'-piperidine]-1'-carboxamide::CHEMBL496189

SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1ccccc1O2

InChI Key InChIKey=SWEAYHBSAXRXDZ-UHFFFAOYSA-N

Data  15 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50268380   

TargetSodium channel protein type 5 subunit alpha(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268380(4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Voltage-gated sodium channel subunit alpha Nav1.5More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional epoxide hydrolase 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268380(4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-...)
Affinity DataIC50: 3nMAssay Description:Inhibition of human soluble epoxide hydrolaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268380(4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268380(4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268380(4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional epoxide hydrolase 2(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268380(4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-...)
Affinity DataIC50: 9nMAssay Description:Inhibition of rat soluble epoxide hydrolaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional epoxide hydrolase 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268380(4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-...)
Affinity DataIC50: 3nMAssay Description:Inhibition of human soluble epoxide hydrolase in HEK293 cells assessed as DHET productionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEpoxide hydrolase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268380(4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-...)
Affinity DataIC50: 100nMAssay Description:Inhibition of human microsomal epoxide hydrolaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEpoxide hydrolase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268380(4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-...)
Affinity DataIC50: 100nMAssay Description:Inhibition of human microsomal epoxide hydrolaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268380(4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268380(4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium channel protein type 5 subunit alpha(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268380(4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Voltage-gated sodium channel subunit alpha Nav1.5More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBifunctional epoxide hydrolase 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268380(4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-...)
Affinity DataIC50: 3nMAssay Description:Inhibition of human soluble epoxide hydrolaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional epoxide hydrolase 2(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268380(4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-...)
Affinity DataIC50: 9nMAssay Description:Inhibition of rat soluble epoxide hydrolaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268380(4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails Article
PubMed