BDBM50606612 CHEMBL5220396

SMILES c1c(cc(c2c1[nH]nc2)NC[C@H]3CCCC[C@@H]3O)Br

InChI Key InChIKey=KBSUKSFOQICUON-UHFFFAOYSA-N

Data  2 IC50

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 2 hits for monomerid = 50606612   

TargetIndoleamine 2,3-dioxygenase 1(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50606612(CHEMBL5220396)
Affinity DataIC50: 2.85E+3nMAssay Description:Inhibition of human IDO1 (12 to 403 aa) expressed in Escherichia coli Transetta (DE3) by nanodrop 2000c spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTryptophan 2,3-dioxygenase(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50606612(CHEMBL5220396)
Affinity DataIC50: 90nMAssay Description:Inhibition of human TDO (19 to 388 aa) expressed in Escherichia coli Transetta (DE3) by nanodrop 2000c spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed