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BDBM50222757 2-propylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine::CHEMBL239248

SMILES: CCCNc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=UFIVZTJVZRBGLE-NVQRDWNXSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50222757   
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))
BDBM50222757
PNG
(2-propylamino-6-(4-nitrobenzylthio)-9-beta-D-ribof...)
Show SMILES CCCNc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C20H24N6O6S/c1-2-7-21-20-23-17-14(22-10-25(17)19-16(29)15(28)13(8-27)32-19)18(24-20)33-9-11-3-5-12(6-4-11)26(30)31/h3-6,10,13,15-16,19,27-29H,2,7-9H2,1H3,(H,21,23,24)/t13-,15-,16-,19-/m1/s1
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Similars

Article
PubMed
193n/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