BindingDB logo
myBDB logout

BDBM50222741 2-ethylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine::CHEMBL394012

SMILES: CCNc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=OWGLKXNQUDJOKH-SCFUHWHPSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50222741   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50222741
PNG
(2-ethylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofu...)
Show SMILES CCNc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C19H22N6O6S/c1-2-20-19-22-16-13(21-9-24(16)18-15(28)14(27)12(7-26)31-18)17(23-19)32-8-10-3-5-11(6-4-10)25(29)30/h3-6,9,12,14-15,18,26-28H,2,7-8H2,1H3,(H,20,22,23)/t12-,14-,15-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of SAENTA-fluorescein from human ENT1 in K562 cells after 45 mins by flow cytometry


Bioorg Med Chem 15: 7726-37 (2007)


Article DOI: 10.1016/j.bmc.2007.08.058
BindingDB Entry DOI: 10.7270/Q26Q1WZD
More data for this
Ligand-Target Pair