BDBM50511719 CHEMBL4548068

SMILES c1ccc2c(c1)-c3cncn3[C@H]2[C@@H]4CCOC[C@H]4O

InChI Key InChIKey=WENBZVXOQQBSHR-UHFFFAOYSA-N

Data  1 IC50  2 EC50

PDB links: 1 PDB ID matches 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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50511719   

TargetCytochrome P450 3A4(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50511719(CHEMBL4548068)
Affinity DataIC50: 600nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetIndoleamine 2,3-dioxygenase 1(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50511719(CHEMBL4548068)
Affinity DataEC50:  1.60E+3nMAssay Description:Inhibition of IDO1 in human A172 cells after 24 hrs in presence of IFNgamma by NFK green reagent based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetTryptophan 2,3-dioxygenase(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50511719(CHEMBL4548068)
Affinity DataEC50:  72nMAssay Description:Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)