BDBM50529370 CHEMBL4584522::US10988487, Example 32

SMILES CC(=O)NCCSc1c(non1)/C(=N/O)/N[C@H]2Cc3c2cc(cc3)F

InChI Key InChIKey=IWTLWDCOKRYTFP-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50529370   

TargetIndoleamine 2,3-dioxygenase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50529370(CHEMBL4584522 | US10988487, Example 32)
Affinity DataIC50: 35nMAssay Description:Inhibition of recombinant His-tagged IDO1 (unknown origin) expressed in Escherichia coli preincubated for 30 mins followed by substrate tryptophan ad...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIndoleamine 2,3-dioxygenase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50529370(CHEMBL4584522 | US10988487, Example 32)
Affinity DataIC50: 24nMAssay Description:Inhibition of IDO1 in human HeLa cells stimulated with IFNgamma using L-tryptophan as substrate incubated for 48 hrs by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIndoleamine 2,3-dioxygenase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50529370(CHEMBL4584522 | US10988487, Example 32)
Affinity DataIC50: 409nMAssay Description:Inhibition of IDO1 in human whole blood stimulated with IFNgamma/LPS using L-tryptophan/kynurenine as substrate incubated for 15 mins followed by IFN...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIndoleamine 2,3-dioxygenase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50529370(CHEMBL4584522 | US10988487, Example 32)
Affinity DataIC50: 18nMAssay Description:Inhibition of IDO1 in human whole blood stimulated with IFNgamma/LPS assessed as unbound potency using L-tryptophan/kynurenine as substrate incubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetIndoleamine 2,3-dioxygenase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50529370(CHEMBL4584522 | US10988487, Example 32)
Affinity DataIC50: 30.9nMAssay Description:HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)