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BDBM50090886 2-[5-Iodo-4-(4-methoxy-phenylamino)-pyrrolo[2,3-d]pyrimidin-7-yl]-5-methyl-tetrahydro-furan-3,4-diol::CHEMBL98887

SMILES: COc1ccc(Nc2ncnc3n(cc(I)c23)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1

InChI Key: InChIKey=BIGRANHUKHSGPF-POFSUORWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50090886   
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)
BDBM50090886
PNG
(2-[5-Iodo-4-(4-methoxy-phenylamino)-pyrrolo[2,3-d]...)
Show SMILES COc1ccc(Nc2ncnc3n(cc(I)c23)[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C18H19IN4O4/c1-9-14(24)15(25)18(27-9)23-7-12(19)13-16(20-8-21-17(13)23)22-10-3-5-11(26-2)6-4-10/h3-9,14-15,18,24-25H,1-2H3,(H,20,21,22)/t9-,14-,15-,18-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 775n/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