BDBM50578642 CHEMBL4853036

SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(cc1)C#N)Oc1ncnc2cc(F)ccc12

InChI Key InChIKey=MZRNNRUIVXYBRQ-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 50578642   

TargetIndoleamine 2,3-dioxygenase 1(Human)
University of Texas

Curated by ChEMBL
LigandPNGBDBM50578642(CHEMBL4853036)
Affinity DataIC50: 6.90nMAssay Description:Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Texas

Curated by ChEMBL
LigandPNGBDBM50578642(CHEMBL4853036)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 mins in presence of NADPH by LCMS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
TargetIndoleamine 2,3-dioxygenase 1(Mouse)
University of Texas

Curated by ChEMBL
LigandPNGBDBM50578642(CHEMBL4853036)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of IDO1 in IFNgamma-stimulated mouse Panc02 cells incubated for 48 hrs by RFMS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed