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
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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
LigandPNGBDBM50028166(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