BDBM50392216 CHEMBL2153191::US8673938, 7

SMILES CCCSc1c(ccc(n1)N2CCC[C@H](C2)CC(=O)O)C(=O)NC3CCCCC3

InChI Key InChIKey=NCDZABJPWMBMIQ-UHFFFAOYSA-N

Data  14 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50392216   

Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Astrazeneca

US Patent
LigandPNGBDBM50392216(CHEMBL2153191 | US8673938, 7)
Affinity DataIC50: 7nMAssay Description:The conversion of cortisone to the active steroid cortisol by 11βHSD1 oxo-reductase activity, can be measured using a competitive homogeneous ti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/8/2014
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Astrazeneca

US Patent
LigandPNGBDBM50392216(CHEMBL2153191 | US8673938, 7)
Affinity DataIC50: 7nMAssay Description:Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Astrazeneca

US Patent
LigandPNGBDBM50392216(CHEMBL2153191 | US8673938, 7)
Affinity DataIC50: 2nMAssay Description:Inhibition of 11betaHSD1 in human adipocytes assessed as cortisone to cortisol conversion by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target11-beta-hydroxysteroid dehydrogenase 1(Rat)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50392216(CHEMBL2153191 | US8673938, 7)
Affinity DataIC50: 4.06E+3nMAssay Description:Inhibition of N-terminal 6-His tagged full length rat 11betaHSD1 incubated for 25 mins by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Mouse)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50392216(CHEMBL2153191 | US8673938, 7)
Affinity DataIC50: 750nMAssay Description:Inhibition of N-terminal 6-His tagged full length mouse 11betaHSD1 incubated for 25 mins by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase type 2(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50392216(CHEMBL2153191 | US8673938, 7)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of recombinant 11betaHSD2 using cortisol as substrate after 40 mins by fluorescence spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
Target17-beta-hydroxysteroid dehydrogenase type 1(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50392216(CHEMBL2153191 | US8673938, 7)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of recombinant 17betaHSD1 using [3H]estrone as substrate after 20 mins by flow scintillation analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
Target17-beta-hydroxysteroid dehydrogenase type 3(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50392216(CHEMBL2153191 | US8673938, 7)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of recombinant 17betaHSD3 using [3H]androstenedione as substrate after 90 mins by flow scintillation analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM50392216(CHEMBL2153191 | US8673938, 7)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human ERG by IonWorks assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Mouse)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50392216(CHEMBL2153191 | US8673938, 7)
Affinity DataIC50: 750nMAssay Description:Inhibition of N-terminal His6-tagged full length mouse 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Rat)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50392216(CHEMBL2153191 | US8673938, 7)
Affinity DataIC50: 4.06E+3nMAssay Description:Inhibition of N-terminal His6-tagged full length rat 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetHydroxysteroid 11-beta dehydrogenase 1(Dog)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50392216(CHEMBL2153191 | US8673938, 7)
Affinity DataIC50: 3.77E+3nMAssay Description:Inhibition of N-terminal His6-tagged full length dog 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Astrazeneca

US Patent
LigandPNGBDBM50392216(CHEMBL2153191 | US8673938, 7)
Affinity DataIC50: 2nMAssay Description:Inhibition of 11betaHSD1 in human isolated adipocytes using [3H]cortisone as substrate after 6 hrs by flow scintillation analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target11-beta-hydroxysteroid dehydrogenase 1(Human)
Astrazeneca

US Patent
LigandPNGBDBM50392216(CHEMBL2153191 | US8673938, 7)
Affinity DataIC50: 7nMAssay Description:Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)