BDBM50063995 Bedaquiline::CHEBI:72292::TMC207

SMILES CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)Br)O

InChI Key InChIKey=QUIJNHUBAXPXFS-UHFFFAOYSA-N

Data  19 IC50  1 EC50

PDB links: 10 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50063995   

TargetCytochrome P450 3A4(Human)
Auckland Cancer Society Research Centre

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
National Institute of Pharmaceutical Education and Research-Hyderabad

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
National Institute of Pharmaceutical Education and Research-Hyderabad

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Auckland Cancer Society Research Centre

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Wuxi Apptec

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
National Institute of Pharmaceutical Education and Research-Hyderabad

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataEC50:  1.50E+4nMAssay Description:Inhibition of fluorescently labelled tracer binding to human ERG by competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
National Institute of Pharmaceutical Education and Research-Hyderabad

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
National Institute of Pharmaceutical Education and Research-Hyderabad

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 360nMAssay Description:Inhibition of human ERG channelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/8/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
National Institute of Pharmaceutical Education and Research-Hyderabad

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Auckland Cancer Society Research Centre

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
National Institute of Pharmaceutical Education and Research-Hyderabad

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of human ERG by manual patch clamp electrophysiology assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Auckland Cancer Society Research Centre

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes after 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
National Institute of Pharmaceutical Education and Research-Hyderabad

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 370nMAssay Description:Inhibition of human ERG assessed as prolongation of QT intervalMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
National Institute of Pharmaceutical Education and Research-Hyderabad

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of human ERG by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
National Institute of Pharmaceutical Education and Research-Hyderabad

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 370nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Auckland Cancer Society Research Centre

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) after 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
National Institute of Pharmaceutical Education and Research-Hyderabad

Curated by ChEMBL
LigandPNGBDBM50063995(CHEBI:72292 | Bedaquiline | TMC207)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2020
Entry Details Article
PubMed