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BDBM50090885 2-[4-(4-Fluoro-phenylamino)-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl]-5-methyl-tetrahydro-furan-3,4-diol::CHEMBL431628

SMILES: C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Nc3ccc(F)cc3)ncnc12

InChI Key: InChIKey=ARJFWOWPNOLBMA-ADOTYWSXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50090885   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine kinase


(Homo sapiens)
BDBM50090885
PNG
(2-[4-(4-Fluoro-phenylamino)-5-iodo-pyrrolo[2,3-d]p...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Nc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C17H16FIN4O3/c1-8-13(24)14(25)17(26-8)23-6-11(19)12-15(20-7-21-16(12)23)22-10-4-2-9(18)3-5-10/h2-8,13-14,17,24-25H,1H3,(H,20,21,22)/t8-,13-,14-,17-/m1/s1
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PC sid
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Similars

Article
PubMed
n/an/a 550n/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