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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine transporter 1' and Ligand = 'BDBM50105129'   
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
Adenosine transporter 1


(Trypanosoma brucei)
BDBM50105129
PNG
(CHEMBL542208 | N2-(3-((9-((3-((4,6-Di(methylamino)...)
Show SMILES CNc1nc(NC)nc(NCCCNCCCCCCCCCNCCCNc2nc(NC)nc(NC)n2)n1
Show InChI InChI=1S/C25H50N14/c1-26-20-34-21(27-2)37-24(36-20)32-18-12-16-30-14-10-8-6-5-7-9-11-15-31-17-13-19-33-25-38-22(28-3)35-23(29-4)39-25/h30-31H,5-19H2,1-4H3,(H3,26,27,32,34,36,37)(H3,28,29,33,35,38,39)
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40E+4n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei


J Med Chem 44: 3440-52 (2001)


Article DOI: 10.1021/jm010854+
BindingDB Entry DOI: 10.7270/Q2VD706V
More data for this
Ligand-Target Pair