BDBM50527139 CHEMBL4591580

SMILES c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)NN)N

InChI Key InChIKey=AJMJEKNHUHCOGZ-UHFFFAOYSA-N

Data  3 KI

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 = 50527139   

Target5'-nucleotidase(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50527139(CHEMBL4591580)
Affinity DataKi:  15nMAssay Description:Inhibition of native CD73 in human MDA-MB-231 cell membrane preparations [3H]AMP as substrate incubated for 25 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target5'-nucleotidase(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50527139(CHEMBL4591580)
Affinity DataKi:  16nMAssay Description:Inhibition of purified recombinant soluble human CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting met...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target5'-nucleotidase(Rat)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50527139(CHEMBL4591580)
Affinity DataKi:  116nMAssay Description:Inhibition of purified recombinant soluble rat CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting metho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)