BDBM50260725 4H-thieno[3,2-b]pyrrole-5-carboxylic acid::CHEMBL507614

SMILES OC(=O)c1cc2sccc2[nH]1

InChI Key InChIKey=PMHDSACGRKBACK-UHFFFAOYSA-N

Data  1 KI  11 IC50  6 Kd

PDB links: 3 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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50260725   

TargetD-amino-acid oxidase(Human)
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataIC50: 5.40nMAssay Description:Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetD-amino-acid oxidase(Human)
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataIC50: 1.40nMAssay Description:Inhibition of human recombinant DAAO after 30 mins by plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetD-amino-acid oxidase(Human)
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataIC50: 147nMAssay Description:Inhibition of DAAO (unknown origin) by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Abbott Healthcare Products

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by whole cell voltage patch clamp techniqueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetD-aspartate oxidase(Bovine)
Abbott Healthcare Products

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of bovine recombinant DASPO expressed in Escherichia coli preincubated for 15 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetD-amino-acid oxidase(Human)
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataKd:  2.50E+3nMAssay Description:Binding affinity to human recombinant DAAO at 520 nm spectral modification by spectrophotometric analysis in presence of FADMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetD-amino-acid oxidase(Human)
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataKd:  130nMAssay Description:Binding affinity to human recombinant DAAO at 490 nm spectral modification by spectrophotometric analysis in presence of FADMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetD-amino-acid oxidase(Human)
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataKd:  7.00E+3nMAssay Description:Binding affinity to human recombinant DAAO by stopped flow spectrophotometric analysis in presence of FADMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetD-amino-acid oxidase(Human)
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataIC50: 245nMAssay Description:Inhibition of human DAOMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetD-amino-acid oxidase(Human)
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataIC50: 5.40nMAssay Description:Inhibition of DAAO (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetD-amino-acid oxidase(Human)
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataKd:  33nMAssay Description:Binding affinity to human recombinant DAAO by steady state study scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetD-amino-acid oxidase(Human)
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataKd:  6nMAssay Description:Binding affinity to human recombinant DAAO by kinetic study scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetD-amino-acid oxidase(Human)
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataKd:  19nMAssay Description:Binding affinity to human recombinant DAAO by isothermal titration calorimeter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetD-amino-acid oxidase(Human)
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataIC50: 145nMAssay Description:Inhibition of human DAAOMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetD-amino-acid oxidase(Human)
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataIC50: 11.9nMAssay Description:Inhibition of human recombinant DAAO expressed in Escherichia coli assessed as H2O2 production from D-serine degradation after 30 mins by fluorescenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Merck Sharp & Dohme

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Sharp & Dohme

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetD-amino-acid oxidase(Human)
Sunovion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50260725(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Affinity DataKi:  3.5nMAssay Description:Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)