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 CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl

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:
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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 DataIC50: 8.30nMAssay Description:Displacement of [11C]DAA1106 from PBR in Sprague-Dawley rat brainMore data for this Ligand-Target Pair
In DepthDetails 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: 12nMAssay Description:Displacement of [3H]PK11195 from TSPO receptor in Sprague-Dawley rat cerebral cortex membrane by radiometric competitive assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor subfamily 1 group I member 3(Human)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 390nMAssay Description:Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...More data for this Ligand-Target Pair
In DepthDetails 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: 1.60nMAssay Description:Displacement of [3H]PK 11195 from rat heart Peripheral-type benzodiazepine receptorMore data for this Ligand-Target Pair
In DepthDetails 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 DepthDetails 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:Displacement of [3H]-PK 11195 from peripheral (mitochondrial) benzodiazepine receptorMore data for this Ligand-Target Pair
In DepthDetails 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 DepthDetails 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 DepthDetails 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 displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortexMore data for this Ligand-Target Pair
In DepthDetails 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 DepthDetails 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:Displacement of [3H]-PK 11195 from rat peripheral (mitochondrial) benzodiazepine receptorMore data for this Ligand-Target Pair
In DepthDetails 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 DepthDetails 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: 8.40nMAssay Description:Inhibitory activity against specific binding of [3H]-CB 34 to peripheral benzodiazepine receptor in rat cortical membranes was evaluatedMore data for this Ligand-Target Pair
In DepthDetails 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: 2.10nMAssay Description:Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membraneMore data for this Ligand-Target Pair
In DepthDetails 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: 9.20nMAssay Description:Displacement of [11C]PK-11195 from PBR in Sprague-Dawley rat brainMore data for this Ligand-Target Pair
In DepthDetails 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Human)
Emory University

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 DepthDetails 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 DepthDetails 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: 1.41nMAssay Description:Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of rat cerebral cortex membranesMore data for this Ligand-Target Pair
In DepthDetails 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: 1.82nMAssay Description:Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of rat ovary membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataIC50: 490nMAssay Description:Displacement of [3H]-PK11195 from PBR after 1 hr by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails 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: 1.60nMAssay 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Human)
Emory University

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 DepthDetails 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: 1.30nMAssay 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTranslocator protein(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKd:  11nMAssay Description:Binding affinity to recombinant human TSPO by SPR assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTranslocator protein(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKd:  11nMAssay Description:Binding affinity to C-terminal DDK-tagged human recombinant full-length TSPO expressed in HEK293 cells by SPR assayMore data for this Ligand-Target Pair
In DepthDetails 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 DepthDetails 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 DepthDetails
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: 8.40nMAssay Description:Displacement of [3H]CB34 from TSPO receptor in rat brain cortex membrane by liquid scintillation spectrometer methodMore data for this Ligand-Target Pair
In DepthDetails
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 DepthDetails 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 DepthDetails 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: 8.30nMAssay Description:In vitro binding affinity for PBR (peripheral benzodiazepine receptor) in rat brainMore data for this Ligand-Target Pair
In DepthDetails 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:  0.310nMAssay Description:Displacement of [11C]PK11195 from PBR receptor in rat brain membraneMore data for this Ligand-Target Pair
In DepthDetails 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 DepthDetails 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 DepthDetails 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:  0.540nMAssay Description:Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBRMore data for this Ligand-Target Pair
In DepthDetails 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 DepthDetails 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 DepthDetails 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 DepthDetails 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 DepthDetails 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 DepthDetails 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 DepthDetails
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:  1.14nMAssay 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 DepthDetails 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 DepthDetails 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 DepthDetails Article
PubMed
LigandPNGBDBM22032(PK 11195 | PK11195 | RP 52028 | N-(butan-2-yl)-1-(...)
Affinity DataKi:  1.41nMMore data for this Ligand-Target Pair
In DepthDetails 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:  1.70nMAssay 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 DepthDetails 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 DepthDetails 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 DepthDetails 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 DepthDetails Article
PubMed
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