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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 = 'BDBM50222751'   
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))
BDBM50222751
PNG
(2-diethanolamino-6-(4-nitrobenzylthio)-9-beta-D-ri...)
Show SMILES OCCN(CCO)c1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C21H26N6O8S/c28-7-5-25(6-8-29)21-23-18-15(22-11-26(18)20-17(32)16(31)14(9-30)35-20)19(24-21)36-10-12-1-3-13(4-2-12)27(33)34/h1-4,11,14,16-17,20,28-32H,5-10H2/t14-,16-,17-,20-/m1/s1
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Similars

Article
PubMed
243n/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