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BDBM50293820 2-(2-(2-amino-6-oxo-1,6,7,8-tetrahydropurin-9-yl)ethoxy)ethylphosphonate::CHEMBL552299

SMILES: Nc1nc2N(CCOCCP(O)(O)=O)CNc2c(=O)[nH]1

InChI Key: InChIKey=FZOXQSGSMTWUDL-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50293820   
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
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293820
PNG
(2-(2-(2-amino-6-oxo-1,6,7,8-tetrahydropurin-9-yl)e...)
Show SMILES Nc1nc2N(CCOCCP(O)(O)=O)CNc2c(=O)[nH]1
Show InChI InChI=1S/C9H16N5O5P/c10-9-12-7-6(8(15)13-9)11-5-14(7)1-2-19-3-4-20(16,17)18/h11H,1-5H2,(H2,16,17,18)(H3,10,12,13,15)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/a7.4n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay


J Med Chem 52: 4391-9 (2009)


Article DOI: 10.1021/jm900267n
BindingDB Entry DOI: 10.7270/Q27M0809
More data for this
Ligand-Target Pair
3D
3D Structure (docked)