BDBM310195 (-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,5-dione::US10945994, Compound 2::US9603836, Compound 2::US9949951, 2

SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1

InChI Key

Data  14 IC50  4 Kd

PDB links: 2 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 18 hits for monomerid = 310195   

TargetIndoleamine 2,3-dioxygenase 1(Human)
Iteos Therapeutics

US Patent
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataIC50:  120nMAssay Description:To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorb...More data for this Ligand-Target Pair
In DepthDetails US Patent
PDB3D3D Structure (crystal)

TargetIndoleamine 2,3-dioxygenase 1(Human)
Iteos Therapeutics

US Patent
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataIC50:  120nMAssay Description:To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorb...More data for this Ligand-Target Pair
In DepthDetails US Patent
PDB3D3D Structure (crystal)

TargetIndoleamine 2,3-dioxygenase 1(Human)
Iteos Therapeutics

US Patent
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataKd:  6.00E+3nMAssay Description:Binding affinity to ferrous form of human recombinant IDO-1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetIndoleamine 2,3-dioxygenase 1(Human)
Iteos Therapeutics

US Patent
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataIC50:  2.50E+3nMAssay Description:Inhibition of IDO-1 in IFN-gamma/LPS-stimulated human whole blood assessed as decrease in kynurenine production after 24 hrs by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetIndoleamine 2,3-dioxygenase 1(Human)
Iteos Therapeutics

US Patent
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of IDO-1 in IFN-gamma/LPS-stimulated human THP1 cells assessed as decrease in kynurenine production after 16 to 24 hrs by PDMAB methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetIndoleamine 2,3-dioxygenase 1(Human)
Iteos Therapeutics

US Patent
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataKd:  150nMAssay Description:Binding affinity to ferric form of human recombinant IDO-1 in absence of oxygen and presence of tryptophanMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetIndoleamine 2,3-dioxygenase 1(Human)
Iteos Therapeutics

US Patent
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataKd:  160nMAssay Description:Binding affinity to ferric form of human recombinant IDO-1 in absence of oxygenMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetIndoleamine 2,3-dioxygenase 1(Human)
Iteos Therapeutics

US Patent
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataKd:  7.00E+3nMAssay Description:Binding affinity to ferric form of human recombinant IDO-1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetIndoleamine 2,3-dioxygenase 1(Human)
Iteos Therapeutics

US Patent
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataIC50:  120nMAssay Description:Inhibition of human recombinant IDO-1 using L-Trp as substrate after 15 mins by PDMAB-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetIndoleamine 2,3-dioxygenase 1(Human)
Iteos Therapeutics

US Patent
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of IDO-1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine production after 16 to 24 hrs by PDMAB methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetIndoleamine 2,3-dioxygenase 1(Mouse)
Iteos Therapeutics

Curated by ChEMBL
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataIC50:  7.30E+3nMAssay Description:Inhibition of mouse IDO-1 using tryptophan as substrate after 22 mins by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetIndoleamine 2,3-dioxygenase 1(Human)
Iteos Therapeutics

US Patent
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataIC50:  200nMAssay Description:Inhibition of human recombinant IDO-1 using tryptophan as substrate after 22 mins by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetIndoleamine 2,3-dioxygenase 1(Human)
Iteos Therapeutics

US Patent
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataIC50:  200nMAssay Description:To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorb...More data for this Ligand-Target Pair
In DepthDetails US Patent
PDB3D3D Structure (crystal)

TargetIndoleamine 2,3-dioxygenase 1(Mouse)
Iteos Therapeutics

Curated by ChEMBL
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataIC50:  730nMAssay Description:To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorb...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetIndoleamine 2,3-dioxygenase 1(Dog)
Pfizer

US Patent
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataIC50:  200nMAssay Description:To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorb...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetTryptophan 2,3-dioxygenase(Human)
Pfizer

US Patent
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataIC50: >5.00E+4nMAssay Description:To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorb...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetTryptophan 2,3-dioxygenase(Mouse)
Pfizer

US Patent
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataIC50: >5.00E+4nMAssay Description:To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorb...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetIndoleamine 2,3-dioxygenase 1(Human)
Iteos Therapeutics

US Patent
LigandPNGBDBM310195((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Affinity DataIC50:  120nMAssay Description:The compounds of the present invention inhibit the enzymatic activity of human IDO1.To measure enzymatic activity of human IDO1, the reaction mixture...More data for this Ligand-Target Pair
In DepthDetails US Patent
PDB3D3D Structure (crystal)