BDBM50063995 Bedaquiline::CHEBI:72292::TMC207

SMILES COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12

InChI Key InChIKey=QUIJNHUBAXPXFS-XLJNKUFUSA-N

Data  19 IC50  1 EC50

PDB links: 6 PDB IDs match this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50063995   

TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM50063995(Bedaquiline | CHEBI:72292 | TMC207)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) after 20 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM50063995(Bedaquiline | CHEBI:72292 | TMC207)
Affinity DataIC50:  370nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM50063995(Bedaquiline | CHEBI:72292 | TMC207)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of human ERG by patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM50063995(Bedaquiline | CHEBI:72292 | TMC207)
Affinity DataIC50:  370nMAssay Description:Inhibition of human ERG assessed as prolongation of QT intervalMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM50063995(Bedaquiline | CHEBI:72292 | TMC207)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes after 20 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM50063995(Bedaquiline | CHEBI:72292 | TMC207)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of human ERG by manual patch clamp electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM50063995(Bedaquiline | CHEBI:72292 | TMC207)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM50063995(Bedaquiline | CHEBI:72292 | TMC207)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM50063995(Bedaquiline | CHEBI:72292 | TMC207)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed