BindingDB logo
myBDB logout

BDBM50222758 2-phenethylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine::CHEMBL428031

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)nc(NCCc3ccccc3)nc12

InChI Key: InChIKey=OPPLEYAZRUDHPF-UMCMBGNQSA-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 = 50222758   
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))
BDBM50222758
PNG
(2-phenethylamino-6-(4-nitrobenzylthio)-9-beta-D-ri...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)nc(NCCc3ccccc3)nc12
Show InChI InChI=1S/C25H26N6O6S/c32-12-18-20(33)21(34)24(37-18)30-14-27-19-22(30)28-25(26-11-10-15-4-2-1-3-5-15)29-23(19)38-13-16-6-8-17(9-7-16)31(35)36/h1-9,14,18,20-21,24,32-34H,10-13H2,(H,26,28,29)/t18-,20-,21-,24-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
394n/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