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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50090873'   
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 kinase


(Homo sapiens (Human))
BDBM50090873
PNG
(2-(5-Iodo-4-phenylamino-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C17H17IN4O3/c1-9-13(23)14(24)17(25-9)22-7-11(18)12-15(19-8-20-16(12)22)21-10-5-3-2-4-6-10/h2-9,13-14,17,23-24H,1H3,(H,19,20,21)/t9-,13-,14-,17-/m1/s1
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Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase


J Med Chem 43: 2894-905 (2000)


Article DOI: 10.1021/jm0000259
BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
More data for this
Ligand-Target Pair