BDBM50322698 rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane

SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1

InChI Key InChIKey=ICXJGCSEMJXNQF-UHFFFAOYSA-N

Data  7 KI  18 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 25 hits for monomerid = 50322698   

TargetCytochrome P450 2C19(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C19 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 8nMAssay Description:Binding affinity to DAT (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 9.20nMAssay Description:Binding affinity to SERT (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 8.10nMAssay Description:Binding affinity to NET (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP1A2 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C9 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C19 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP3A4 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP1A2 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C9 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP3A4 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP1A2 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C9 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C19 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP3A4 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of human CYP2D6 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of human CYP2D6 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of human CYP2D6 after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataKi:  0.631nMAssay Description:Binding affinity to human SERTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Mouse)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataKi:  1.58nMAssay Description:Displacement of [3H]nisoxetine from NET in mouse brainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Mouse)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataKi:  1.58nMAssay Description:Displacement of [3H]-citalopram from SERT in mouse cortex after 2 hrs by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetTransporter(Rat)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataKi:  2.51nMAssay Description:Displacement of [3H]nisoxetine from NET in rat hippocampus after 2 hrs by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataKi:  7.90nMAssay Description:Binding affinity to human NETMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Mouse)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataKi:  10nMAssay Description:Displacement of [3H]WIN-35428 from DAT in mouse brainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL
LigandPNGBDBM50322698(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Affinity DataKi:  10nMAssay Description:Binding affinity to human DATMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed