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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 = 'BDBM50105123'   
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)
BDBM50105123
PNG
(CHEMBL544581 | N2-(3-((12-((3-((4Amino,6-(dimethyl...)
Show SMILES CN(C)c1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(N)nc(n2)N(C)C)n1
Show InChI InChI=1S/C28H56N14/c1-41(2)27-37-23(29)35-25(39-27)33-21-15-19-31-17-13-11-9-7-5-6-8-10-12-14-18-32-20-16-22-34-26-36-24(30)38-28(40-26)42(3)4/h31-32H,5-22H2,1-4H3,(H3,29,33,35,37,39)(H3,30,34,36,38,40)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
240n/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