BDBM22032 1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoquinoline-3-carboxamide::CHEMBL15313::N-(butan-2-yl)-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide::PK 11195::PK-11195::PK11195::RP 52028::[3H]PK 11195

SMILES CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl

InChI Key InChIKey=RAVIZVQZGXBOQO-UHFFFAOYSA-N

Data  51 KI  27 IC50  5 Kd

PDB links: 3 PDB IDs match this monomer.

  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 83 hits for monomerid = 22032   

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  0.310nMAssay Description:Displacement of [11C]PK11195 from PBR receptor in rat brain membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]PK11195 from TSPO in rat C6 cell membrane after 90 mins by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/12/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  0.540nMAssay Description:Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  0.540nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2012
Entry Details Article
PubMed
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKd:  0.600nMAssay Description:Displacement of [3H]PK11195 from TSPO in rat cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  0.780nMAssay Description:Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  0.820nMAssay Description:Displacement of [11C]DAA1106 from Sprague-Dawley rat brain PBRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  0.830nMAssay Description:In vitro inhibition of [11C]2 binding to Peripheral benzodiazepine receptor (PBR) in rat brainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  1nMAssay Description:Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  1.06nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2012
Entry Details Article
PubMed
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  1.10nMAssay Description:Displacement of [3H]-flunitrazepam from TSPO receptor in Wistar rat brain without cerebellum incubated for 90 mins by liquid scintillation counter an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Human)
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of TSPO (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2018
Entry Details Article
PubMed
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  1.14nMAssay Description:Displacement of [3H]PK11195 from peripheral benzodiazepine receptor in Sprague-Dawley rat cerebral cortex membrane by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  1.24nMAssay Description:Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 1.30nMAssay Description:Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat cerebral cortex membranes after 60 mins by microbeta liquid scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 1.30nMAssay Description:Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  1.37nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2012
Entry Details Article
PubMed
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  1.41nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2012
Entry Details Article
PubMed
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 1.41nMAssay Description:Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of rat cerebral cortex membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 1.60nMAssay Description:Displacement of [3H]PK 11195 from rat heart Peripheral-type benzodiazepine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 1.60nMAssay Description:Displacement of [3H]PK 11195 from rat heart peripheral-type benzodiazepine receptor measured after 15 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  1.70nMAssay Description:Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  1.70nMAssay Description:Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  1.80nMAssay Description:Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/9/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 1.80nMAssay Description:Binding affinity against peripheral benzodiazepine receptor( PBR).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 1.80nMAssay Description:Displacement of [3H]PK11195 from TSPO receptor in rat brain cortex membrane incubated for 120 mins by liquid scintillation spectrometer methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 1.82nMAssay Description:Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of rat ovary membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  1.88nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2012
Entry Details Article
PubMed
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 2nMAssay Description:Displacement of [3H]-PK 11195 from rat peripheral (mitochondrial) benzodiazepine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 2nMAssay Description:Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKd:  2nMAssay Description:Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 2nMAssay Description:Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Human)
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKd:  2nMAssay Description:Binding affinity to human PBRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 2nMAssay Description:Displacement of [3H]-PK 11195 from peripheral (mitochondrial) benzodiazepine receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/27/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  2.04nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2012
Entry Details Article
PubMed
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 2.10nMAssay Description:Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 2.20nMAssay Description:Test in vitro, for potential ability to displace [3H]1 from PBR in rat brain cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 2.20nMAssay Description:Test in vitro, for potential ability to displace [3H]1 from PBR in rat brain cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 2.20nMAssay Description:In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  2.20nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2012
Entry Details Article
PubMed
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 2.20nMAssay Description:In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  3nMAssay Description:Inhibition of rat TSPOMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
In Depth
Date in BDB:
11/10/2011
Entry Details Article
PubMed
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
In Depth
Date in BDB:
11/10/2011
Entry Details Article
PubMed
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
In Depth
Date in BDB:
11/10/2011
Entry Details Article
PubMed
TargetTranslocator protein(Human)
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  4.5nMAssay Description:Inhibition of human TSPOMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2016
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Human)
Technion-Israel Institute of Technology

Curated by PDSP Ki Database
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
In Depth
Date in BDB:
11/10/2011
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Human)
Technion-Israel Institute of Technology

Curated by PDSP Ki Database
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
In Depth
Date in BDB:
11/10/2011
Entry Details Article
PubMed
TargetTranslocator protein(Human)
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  7.11nMAssay Description:Displacement of [3H]PK11195 from TSPO in human HEK293 mitochondrial fractionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/9/2013
Entry Details Article
PubMed
TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 7.5nMAssay Description:Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat cerebral cortex membranes after 60 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
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