BDBM50310656 (S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide::CHEMBL1080787::PF-18298::PF-184298

SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl

InChI Key InChIKey=PIKCALBGLDBAKK-NSHDSACASA-N

Data  6 KI  11 IC50

  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 17 hits for monomerid = 50310656   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataKi:  6nMAssay Description:Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataKi:  6nMAssay Description:Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataKi:  21nMAssay Description:Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataKi:  21nMAssay Description:Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataKi:  544nMAssay Description:Displacement of [3H]dopamine from human DAT expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataKi:  544nMAssay Description:Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 using testosterone as a substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataIC50:  5.80E+3nMAssay Description:Binding affinity to kappa opioid receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataIC50:  2.00E+4nMAssay Description:Displacement of [3H]dofetilide from human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 using felodipine as a substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 using midazolam as a substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50310656((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed