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BDBM50222746 2-butylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine::CHEMBL393120

SMILES: CCCCNc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=APGUBFBFIZVHIG-WVSUBDOOSA-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 = 50222746   
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))
BDBM50222746
PNG
(2-butylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofu...)
Show SMILES CCCCNc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C21H26N6O6S/c1-2-3-8-22-21-24-18-15(23-11-26(18)20-17(30)16(29)14(9-28)33-20)19(25-21)34-10-12-4-6-13(7-5-12)27(31)32/h4-7,11,14,16-17,20,28-30H,2-3,8-10H2,1H3,(H,22,24,25)/t14-,16-,17-,20-/m1/s1
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Similars

Article
PubMed
325n/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