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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 = 'BDBM50105124'   
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)
BDBM50105124
PNG
(CHEMBL553117 | N2-(3-[12-(3-[(4,6-Diamino-1,3,5-tr...)
Show SMILES Nc1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(N)nc(N)n2)n1
Show InChI InChI=1S/C24H48N14/c25-19-33-20(26)36-23(35-19)31-17-11-15-29-13-9-7-5-3-1-2-4-6-8-10-14-30-16-12-18-32-24-37-21(27)34-22(28)38-24/h29-30H,1-18H2,(H5,25,26,31,33,35,36)(H5,27,28,32,34,37,38)
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
500n/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