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PubMed code 23448281

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))
BDBM50427810
PNG
(CHEMBL2325752)
Show SMILES Nc1nc2n(CC(COCP(O)(O)=O)COCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C11H19N5O9P2/c12-11-14-9-8(10(17)15-11)13-4-16(9)1-7(2-24-5-26(18,19)20)3-25-6-27(21,22)23/h4,7H,1-3,5-6H2,(H2,18,19,20)(H2,21,22,23)(H3,12,14,15,17)
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Article
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30n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal hexahistidine-tagged HGPRT


J Med Chem 56: 2513-26 (2013)


Article DOI: 10.1021/jm301893b
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50427808
PNG
(CHEMBL2325754)
Show SMILES Nc1nc2n(CC(COCCP(O)(O)=O)OCCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C12H21N5O9P2/c13-12-15-10-9(11(18)16-12)14-7-17(10)5-8(26-2-4-28(22,23)24)6-25-1-3-27(19,20)21/h7-8H,1-6H2,(H2,19,20,21)(H2,22,23,24)(H3,13,15,16,18)
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600n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal hexahistidine-tagged HGPRT


J Med Chem 56: 2513-26 (2013)


Article DOI: 10.1021/jm301893b
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50427809
PNG
(CHEMBL2325753)
Show SMILES OP(O)(=O)COCC(COCP(O)(O)=O)Cn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C11H18N4O9P2/c16-11-9-10(12-4-13-11)15(5-14-9)1-8(2-23-6-25(17,18)19)3-24-7-26(20,21)22/h4-5,8H,1-3,6-7H2,(H,12,13,16)(H2,17,18,19)(H2,20,21,22)
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1.00E+3n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal hexahistidine-tagged HGPRT


J Med Chem 56: 2513-26 (2013)


Article DOI: 10.1021/jm301893b
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50427807
PNG
(CHEMBL2325755)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C(COCP(O)(O)=O)COCP(O)(O)=O
Show InChI InChI=1S/C10H17N5O9P2/c11-10-13-8-7(9(16)14-10)12-3-15(8)6(1-23-4-25(17,18)19)2-24-5-26(20,21)22/h3,6H,1-2,4-5H2,(H2,17,18,19)(H2,20,21,22)(H3,11,13,14,16)
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3.70E+4n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal hexahistidine-tagged HGPRT


J Med Chem 56: 2513-26 (2013)


Article DOI: 10.1021/jm301893b
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%