BDBM23617 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophenyl)methyl]sulfanyl}-9H-purin-9-yl)oxolane-3,4-diol::4-nitrobenzylmercaptopurine ribonucleoside::CHEMBL418509::NBMPR::NBTI::Nitrobenzylthioinosine

SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12

InChI Key InChIKey=DYCJFJRCWPVDHY-LSCFUAHRSA-N

Data  9 KI  9 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 = 23617   

TargetEquilibrative nucleoside transporter 1(Homo sapiens (Human))
University Of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM23617((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Affinity DataKi:  0.700nMAssay Description:Displacement of 5-(SAENTA)-X8-fluorescein from human ENT1 transporter in human K562 cellsMore data for this Ligand-Target Pair
TargetEquilibrative nucleoside transporter 1(Homo sapiens (Human))
University Of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM23617((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Affinity DataIC50:  8.51nMAssay Description:Binding affinity to ENT1 transporterMore data for this Ligand-Target Pair