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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 = 'BDBM50222740'   
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))
BDBM50222740
PNG
(2-cyclohexylamino-6-(4-nitrobenzylthio)-9-beta-D-r...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)nc(NC3CCCCC3)nc12
Show InChI InChI=1S/C23H28N6O6S/c30-10-16-18(31)19(32)22(35-16)28-12-24-17-20(28)26-23(25-14-4-2-1-3-5-14)27-21(17)36-11-13-6-8-15(9-7-13)29(33)34/h6-9,12,14,16,18-19,22,30-32H,1-5,10-11H2,(H,25,26,27)/t16-,18-,19-,22-/m1/s1
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Similars

Article
PubMed
400n/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