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BDBM50090876 4-[7-(3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino]-benzonitrile::CHEMBL99923

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

InChI Key: InChIKey=RBIFBTIDJIGIJH-POFSUORWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50090876   
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)
BDBM50090876
PNG
(4-[7-(3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl...)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Nc3ccc(cc3)C#N)ncnc12
Show InChI InChI=1S/C18H16IN5O3/c1-9-14(25)15(26)18(27-9)24-7-12(19)13-16(21-8-22-17(13)24)23-11-4-2-10(6-20)3-5-11/h2-5,7-9,14-15,18,25-26H,1H3,(H,21,22,23)/t9-,14-,15-,18-/m1/s1
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MMDB

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PC sid
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Similars

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: 2894-905 (2000)


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