BDBM50200841 CHEMBL220360::MK-0364::MK-0634::N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methyl-2-(5-(trifluoromethyl)pyridin-2-yloxy)propanamide::N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide::TARANABANT::Taranbant

SMILES C[C@@H]([C@@H](Cc1ccc(cc1)Cl)c2cccc(c2)C#N)NC(=O)C(C)(C)Oc3ccc(cn3)C(F)(F)F

InChI Key InChIKey=QLYKJCMUNUWAGO-UHFFFAOYSA-N

Data  2 KI  22 IC50  2 EC50

PDB links: 2 PDB IDs match 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 26 hits for monomerid = 50200841   

TargetCytochrome P450 2C9(Human)
Green Cross

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.930nMAssay Description:Inhibition of CYP2C9 in human liver microsomes after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetCannabinoid receptor 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of radiolabeled CP5549 binding to human Cannabinoid receptor 1 expressed in CHO cells by competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCannabinoid receptor 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.302nMAssay Description:Antagonist activity against human recombinant cannabinoid-1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCannabinoid receptor 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 290nMAssay Description:Inhibition of [3H]CP-55940 binding to human recombinant CB2 receptor in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetCannabinoid receptor 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataEC50:  2.40nMAssay Description:Inverse agonist activity at human recombinant CB1 receptor assessed as inhibition of forskolin-induced cAMP production in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCannabinoid receptor 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCannabinoid receptor 1(Rat)
Dr. Reddy'S Laboratories

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.300nMpH: 7.4Assay Description:Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCannabinoid receptor 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.740nMAssay Description:Displacement of [3H]CP55490 from human recombinant cannabinoid CB1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 1.42E+4nMAssay Description:Inhibition of human ERG at holding potential of -80 mV to +40 mVMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Green Cross

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 20nMAssay Description:Inhibition of CYP1A2 in human liver microsomes after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Green Cross

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 20nMAssay Description:Inhibition of CYP3A4 in human liver microsomes after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetCannabinoid receptor 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.300nMAssay Description:Displacement of [3H]CP-55940 from human recombinant CB1R expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Green Cross

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.590nMAssay Description:Inhibition of CYP2D6 in human liver microsomes after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetCannabinoid receptor 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.300nMAssay Description:Binding affinity to human CB1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCannabinoid receptor 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 290nMAssay Description:Inhibition of cannabinoid CB2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetCannabinoid receptor 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of cannabinoid CB1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCannabinoid receptor 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of human CB1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCannabinoid receptor 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 285nMAssay Description:Displacement of [3H]CP-55940 from recombinant human CB2 receptor expressed in CHO cellMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetCannabinoid receptor 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.300nMAssay Description:Displacement of [3H]CP-55940 from recombinant human CB1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCannabinoid receptor 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataEC50:  2.40nMAssay Description:Inverse agonist activity at human CB1 receptor assessed as forskolin-induced cAMP level by adenylyl cyclase activation flash plate assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCannabinoid receptor 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.300nMAssay Description:Inverse agonist activity at cannabinoid CB1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCannabinoid receptor 1(Rat)
Dr. Reddy'S Laboratories

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.860nMAssay Description:Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum by liquid scintillation spectrometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCannabinoid receptor 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 1.17E+3nMAssay Description:Displacement of [3H]WIN-55212-2 from human CB2 receptor expressed in CHOK1 cells by liquid scintillation spectrometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCannabinoid receptor 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataIC50: 0.290nMAssay Description:Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCannabinoid receptor 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/24/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCannabinoid receptor 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50200841(CHEMBL220360 | N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-...)
Affinity DataKi:  290nMAssay Description:Displacement of [3H]rimonabant from human CB2 receptor expressed in HEK293 cells by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/24/2012
Entry Details Article
PubMed