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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Equilibrative Nucleoside Transporter 1 (ENT1)' and Ligand = 'BDBM50222750'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50222750
PNG
(2-pentylamino-6-(4-nitrobenzylthio)-9-beta-D-ribof...)
Show SMILES CCCCCNc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C22H28N6O6S/c1-2-3-4-9-23-22-25-19-16(24-12-27(19)21-18(31)17(30)15(10-29)34-21)20(26-22)35-11-13-5-7-14(8-6-13)28(32)33/h5-8,12,15,17-18,21,29-31H,2-4,9-11H2,1H3,(H,23,25,26)/t15-,17-,18-,21-/m1/s1
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Similars

Article
PubMed
357n/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