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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Equilibrative nucleoside transporter 1' and Ligand = 'BDBM50036311'   
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


(Homo sapiens (Human))
BDBM50036311
PNG
(CHEMBL3353074)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCCN(CCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
Show InChI InChI=1S/C30H42N2O10/c1-35-23-17-21(18-24(36-2)27(23)39-5)29(33)41-15-8-11-31-9-7-10-32(13-12-31)14-16-42-30(34)22-19-25(37-3)28(40-6)26(20-22)38-4/h17-20H,7-16H2,1-6H3
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Similars

Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1 expressed in porcine PK15NTD cells by cell-based [3H]5-uridine uptake assay


Bioorg Med Chem Lett 24: 5801-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.026
BindingDB Entry DOI: 10.7270/Q26M38FZ
More data for this
Ligand-Target Pair