BDBM50543291 CHEMBL4644751

SMILES C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1ccc(F)c(F)c1

InChI Key InChIKey=QXQPETGZKGQABI-UHFFFAOYSA-N

Data  4 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50543291   

TargetIndoleamine 2,3-dioxygenase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50543291(CHEMBL4644751)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells using L-tryptophan as substrate incubated for 48 hrs by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetIndoleamine 2,3-dioxygenase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50543291(CHEMBL4644751)
Affinity DataIC50: 36nMAssay Description:Inhibition of IDO1 in human whole blood stimulated with IFNgamma/LPS using L-tryptophan/kynurenine as substrate incubated for 15 mins prior to IFNgam...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetTryptophan 2,3-dioxygenase(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50543291(CHEMBL4644751)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of TDO in human SW48 cells using L-tryptophan as substrate incubated for 48 hrs by fluorescent microplate reader assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetCytochrome P450 4B1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50543291(CHEMBL4644751)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP450 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
LigandPNGBDBM50543291(CHEMBL4644751)
Affinity DataEC50: >3.00E+4nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed