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BDBM50222753 2-cyclopropylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine::CHEMBL391838

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)nc(NC3CC3)nc12

InChI Key: InChIKey=XBEFFTIKLMJXIZ-NVQRDWNXSA-N

Data: 1 KI

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

Found 1 hit for monomerid = 50222753   
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))
BDBM50222753
PNG
(2-cyclopropylamino-6-(4-nitrobenzylthio)-9-beta-D-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)nc(NC3CC3)nc12
Show InChI InChI=1S/C20H22N6O6S/c27-7-13-15(28)16(29)19(32-13)25-9-21-14-17(25)23-20(22-11-3-4-11)24-18(14)33-8-10-1-5-12(6-2-10)26(30)31/h1-2,5-6,9,11,13,15-16,19,27-29H,3-4,7-8H2,(H,22,23,24)/t13-,15-,16-,19-/m1/s1
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Similars

Article
PubMed
25n/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