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BDBM50222748 2-acetamido-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine::CHEMBL240101

SMILES: CC(=O)Nc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=IVUWPLYIYUCASG-SCFUHWHPSA-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 = 50222748   
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))
BDBM50222748
PNG
(2-acetamido-6-(4-nitrobenzylthio)-9-beta-D-ribofur...)
Show SMILES CC(=O)Nc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C19H20N6O7S/c1-9(27)21-19-22-16-13(20-8-24(16)18-15(29)14(28)12(6-26)32-18)17(23-19)33-7-10-2-4-11(5-3-10)25(30)31/h2-5,8,12,14-15,18,26,28-29H,6-7H2,1H3,(H,21,22,23,27)/t12-,14-,15-,18-/m1/s1
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Similars

Article
PubMed
34n/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