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PubMed code 19666228

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50304140
PNG
(9-[2-(1-Phosphonopropan-2-yloxy)ethyl]guanine | CH...)
Show SMILES CC(CP(O)(O)=O)OCCn1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C10H16N5O5P/c1-6(4-21(17,18)19)20-3-2-15-5-12-7-8(15)13-10(11)14-9(7)16/h5-6H,2-4H2,1H3,(H2,17,18,19)(H3,11,13,14,16)
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PC cid
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UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HGPRT expressed in Escherichia coli by spectrophotometric assay


Bioorg Med Chem 17: 6218-32 (2009)


Article DOI: 10.1016/j.bmc.2009.07.044
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50304141
PNG
(9-[2-(1-Phosphonobutan-2-yloxy)ethyl]guanine | CHE...)
Show SMILES CCC(CP(O)(O)=O)OCCn1cnc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C11H18N5O5P/c1-2-7(5-22(18,19)20)21-4-3-16-6-13-8-9(16)14-11(12)15-10(8)17/h6-7H,2-5H2,1H3,(H2,18,19,20)(H3,12,14,15,17)
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PubMed
300n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HGPRT expressed in Escherichia coli by spectrophotometric assay


Bioorg Med Chem 17: 6218-32 (2009)


Article DOI: 10.1016/j.bmc.2009.07.044
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50304138
PNG
(9-[2-(1-Phosphonopropan-2-yloxy)ethyl]hypoxanthine...)
Show SMILES CC(CP(O)(O)=O)OCCn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C10H15N4O5P/c1-7(4-20(16,17)18)19-3-2-14-6-13-8-9(14)11-5-12-10(8)15/h5-7H,2-4H2,1H3,(H,11,12,15)(H2,16,17,18)
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PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HGPRT expressed in Escherichia coli by spectrophotometric assay


Bioorg Med Chem 17: 6218-32 (2009)


Article DOI: 10.1016/j.bmc.2009.07.044
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50304139
PNG
(9-[2-(1-Phosphonobutan-2-yloxy)ethyl]hypoxanthine ...)
Show SMILES CCC(CP(O)(O)=O)OCCn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C11H17N4O5P/c1-2-8(5-21(17,18)19)20-4-3-15-7-14-9-10(15)12-6-13-11(9)16/h6-8H,2-5H2,1H3,(H,12,13,16)(H2,17,18,19)
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PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HGPRT expressed in Escherichia coli by spectrophotometric assay


Bioorg Med Chem 17: 6218-32 (2009)


Article DOI: 10.1016/j.bmc.2009.07.044
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%