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BDBM50222752 2-benzylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine::CHEMBL391651

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)nc(NCc3ccccc3)nc12

InChI Key: InChIKey=OZVVAXZRRDJZQV-ZDXOVATRSA-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 = 50222752   
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))
BDBM50222752
PNG
(2-benzylamino-6-(4-nitrobenzylthio)-9-beta-D-ribof...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)nc(NCc3ccccc3)nc12
Show InChI InChI=1S/C24H24N6O6S/c31-11-17-19(32)20(33)23(36-17)29-13-26-18-21(29)27-24(25-10-14-4-2-1-3-5-14)28-22(18)37-12-15-6-8-16(9-7-15)30(34)35/h1-9,13,17,19-20,23,31-33H,10-12H2,(H,25,27,28)/t17-,19-,20-,23-/m1/s1
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Similars

Article
PubMed
247n/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