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(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  0.310nMAssay Description:Displacement of [11C]PK11195 from PBR receptor in rat brain membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
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 ArticlePubMedPDB3D3D Structure (crystal)

LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  0.540nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  0.540nMAssay Description:Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
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 ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  0.820nMAssay Description:Displacement of [11C]DAA1106 from Sprague-Dawley rat brain PBRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
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 ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  1nMAssay Description:Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  1.06nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
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(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
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 ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
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 ArticlePubMedPDB3D3D Structure (crystal)

LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  1.37nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  1.41nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
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 ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
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 ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  1.80nMAssay Description:Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  1.88nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  2.04nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  2.20nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
In DepthDetails ArticlePubMed

LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
In DepthDetails ArticlePubMed

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  3nMAssay Description:Inhibition of rat TSPOMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
In DepthDetails ArticlePubMed

TargetTranslocator protein(Human)
Stanford University School of Medicine

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  4.5nMAssay Description:Inhibition of human TSPOMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGamma-aminobutyric acid receptor subunit alpha-1(Human)
Technion-Israel Institute of Technology

Curated by PDSP Ki Database
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
In DepthDetails ArticlePubMed

TargetGamma-aminobutyric acid receptor subunit alpha-1(Human)
Technion-Israel Institute of Technology

Curated by PDSP Ki Database
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
In DepthDetails ArticlePubMed

TargetTranslocator protein(Human)
Stanford University School of Medicine

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  7.11nMAssay Description:Displacement of [3H]PK11195 from TSPO in human HEK293 mitochondrial fractionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGamma-aminobutyric acid receptor subunit alpha-1(Human)
Technion-Israel Institute of Technology

Curated by PDSP Ki Database
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
In DepthDetails ArticlePubMed

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  8.90nMAssay 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 ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  9.30nMAssay Description:Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  9.30nMAssay Description:Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  9.30nMAssay Description:Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  9.30nMAssay Description:Displacement of [3H]-PK11195 from rat kidney mitochondrial membrane TSPO receptor assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  9.30nMAssay Description:Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  9.30nM ΔG°:  -10.2kcal/molepH: 7.4 T: 4°CAssay Description:Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  9.30nMAssay Description:Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  9.30nMAssay Description:Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  9.30nMAssay Description:Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial fractionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  9.30nMAssay Description:Displacement of [3H]PK11195 from TSPO in rat kidneyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  9.30nMAssay Description:Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  9.80nMAssay Description:Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  18nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTranslocator protein(Rat)
National Institute of Radiological Sciences

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  28.8nMAssay Description:Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTranslocator protein(Human)
Stanford University School of Medicine

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  29nMAssay Description:Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTranslocator protein(Human)
Stanford University School of Medicine

Curated by ChEMBL
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  36nMAssay Description:Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cells after 90 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGamma-aminobutyric acid (GABA) B receptor 1(Rat)
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed

TargetGamma-aminobutyric acid (GABA) B receptor 1(Rat)
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed

TargetGamma-aminobutyric acid (GABA) B receptor 1(Rat)
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed

LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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