BDBM50028166 CHEMBL934::METYRAPONE::US9138393, Metyrapone::US9144538, Metyrapone::US9394290, MTP (metyrapone)

SMILES CC(C)(c1cccnc1)C(=O)c2cccnc2

InChI Key InChIKey=FJLBFSROUSIWMA-UHFFFAOYSA-N

Data  1 KI  32 IC50

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50028166   

TargetCytochrome P450 11B2, mitochondrial(Human)
Saarland University and Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 5nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B1, mitochondrial(Human)
Saarland University & Helmholtz Institute For Pharmaceutical Research Saarland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 14.6nMAssay Description:Inhibition of human steroid-11beta-hydroxylase expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B1, mitochondrial(Human)
Saarland University & Helmholtz Institute For Pharmaceutical Research Saarland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 15nMAssay Description:Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B1, mitochondrial(Human)
Saarland University & Helmholtz Institute For Pharmaceutical Research Saarland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 15nMAssay Description:Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/17/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B1, mitochondrial(Human)
Saarland University & Helmholtz Institute For Pharmaceutical Research Saarland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 15nMAssay Description:Inhibition of human CYP11B1 expressed in hamster fibroblast using 100 nM [3H]-11-deoxycorticosterone as substrate after 25 mins by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B1, mitochondrial(Human)
Saarland University & Helmholtz Institute For Pharmaceutical Research Saarland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 15nMAssay Description:Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B1, mitochondrial(Human)
Saarland University & Helmholtz Institute For Pharmaceutical Research Saarland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 15nMAssay Description:Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B1, mitochondrial(Human)
Saarland University & Helmholtz Institute For Pharmaceutical Research Saarland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 15nMAssay Description:Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPTLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAromatase(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 15nMAssay Description:Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/17/2016
Entry Details Article
PubMed
TargetCytochrome P450 11B1, mitochondrial(Human)
Saarland University & Helmholtz Institute For Pharmaceutical Research Saarland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 15nMAssay Description:Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B1, mitochondrial(Human)
Saarland University & Helmholtz Institute For Pharmaceutical Research Saarland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 15nMT: 2°CAssay Description:V79MZ cells expressing human CYP11B1 and human CYP11B2 genes, respectively, were grown on 24-well cell culture plates (8×10^5 cells per well) w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/17/2017
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetCytochrome P450 11B1, mitochondrial(Human)
Saarland University & Helmholtz Institute For Pharmaceutical Research Saarland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 15nMAssay Description:Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detectorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B2, mitochondrial(Human)
Saarland University and Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 42nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B1, mitochondrial(Human)
Saarland University & Helmholtz Institute For Pharmaceutical Research Saarland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 46nMAssay Description:Inhibition of human CYP11B1 expressed in V79 MZ cells pretreated with compound for 1 hr followed by addition of 500 nM 11-deoxycorticosterone for 3 h...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B2, mitochondrial(Human)
Saarland University and Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 72nMT: 2°CAssay Description:V79MZ cells expressing human CYP11B1 and human CYP11B2 genes, respectively, were grown on 24-well cell culture plates (8×10^5 cells per well) w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/17/2017
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetCytochrome P450 11B2, mitochondrial(Human)
Saarland University and Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 72nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B2, mitochondrial(Human)
Saarland University and Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 72nMAssay Description:Inhibition of human aldosterone synthase expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B2, mitochondrial(Human)
Saarland University and Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 72nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B2, mitochondrial(Human)
Saarland University and Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 72nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detectorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B2, mitochondrial(Human)
Saarland University and Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 72nMAssay Description:Inhibition of human CYP11B2 expressed in hamster fibroblast using 100 nM [3H]-11-deoxycorticosterone as substrate after 45 mins by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B2, mitochondrial(Human)
Saarland University and Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 72nMAssay Description:Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/17/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B2, mitochondrial(Human)
Saarland University and Helmholtz Institute For Pharmaceutical Research Saarland (Hips)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 208nMAssay Description:Inhibition of human aldosterone synthase expressed in V79 MZ cells pretreated with compound for 1 hr followed by addition of 500 nM 11-deoxycorticost...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 11B1, mitochondrial(Bovine)
TBA

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataKi:  580nMAssay Description:Inhibition of bovine adrenal gland 11beta-hydroxylase assessed as inhibition of [14C]-deoxycorticosterone hydroxylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 3.00E+3nMAssay Description:A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2016
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 3.00E+3nMAssay Description:Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2016
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetCytochrome P450 11B1, mitochondrial(Rat)
Saarland University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 4.60E+3nMAssay Description:Inhibition of rat CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2019
Entry Details Article
PubMed
TargetCytochrome P450 11B1, mitochondrial(Rat)
Saarland University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 4.61E+3nMAssay Description:Inhibition of rat CYP11B1 expressed in hamster fibroblast using 500 nM [3H]-11-deoxycorticosterone as substrate after 7 hrs by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 4.93E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAromatase(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human CYP19 expressed in hamster fibroblast using 500 nM [1beta-3H] androstenedione as substrate by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/1/2016
Entry Details Article
PubMed
TargetCytochrome P450 11B1, mitochondrial(Rat)
Saarland University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP11B1 in Sprague-Dawley rat adrenal tissue using 11-deoxycorticosterone as substrate after 4 hrs by SPAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2019
Entry Details Article
PubMed
TargetCytochrome P450 11B1, mitochondrial(Bovine)
TBA

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 7.83E+3nMAssay Description:Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Saarland University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP17 expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50028166BDBM50028166(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Affinity DataIC50: 2.29E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2019
Entry Details Article
PubMed