BDBM50511719 CHEMBL4548068

SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCOC[C@H]1O

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
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 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 DepthDetails 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 DepthDetails 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)