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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50090865'   
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))
BDBM50090865
PNG
((2R,3R,4S,5R)-2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyri...)
Show SMILES COC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12
Show InChI InChI=1S/C12H15IN4O4/c1-20-3-6-8(18)9(19)12(21-6)17-2-5(13)7-10(14)15-4-16-11(7)17/h2,4,6,8-9,12,18-19H,3H2,1H3,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Metabasis Therapeutics Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human adenosine kinase


J Med Chem 43: 2883-93 (2000)


Article DOI: 10.1021/jm000024g
BindingDB Entry DOI: 10.7270/Q2XG9QCV
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50090865
PNG
((2R,3R,4S,5R)-2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyri...)
Show SMILES COC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12
Show InChI InChI=1S/C12H15IN4O4/c1-20-3-6-8(18)9(19)12(21-6)17-2-5(13)7-10(14)15-4-16-11(7)17/h2,4,6,8-9,12,18-19H,3H2,1H3,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human adenosine kinase activity


Bioorg Med Chem Lett 12: 899-902 (2002)


Article DOI: 10.1016/s0960-894x(02)00042-2
BindingDB Entry DOI: 10.7270/Q2NP23QT
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50090865
PNG
((2R,3R,4S,5R)-2-(4-Amino-5-iodo-pyrrolo[2,3-d]pyri...)
Show SMILES COC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12
Show InChI InChI=1S/C12H15IN4O4/c1-20-3-6-8(18)9(19)12(21-6)17-2-5(13)7-10(14)15-4-16-11(7)17/h2,4,6,8-9,12,18-19H,3H2,1H3,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
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n/an/a 8.32E+8n/an/an/an/an/an/a



Vigo University

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of the adenosine kinase (AK) activity.


Bioorg Med Chem Lett 14: 3077-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.040
BindingDB Entry DOI: 10.7270/Q2CZ38BM
More data for this
Ligand-Target Pair