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PubMed code 19527031

Compile data set for download or QSAR
Found 24 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))
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)
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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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293821
PNG
(2-(2-(6-oxo-1,6,7,8-tetrahydropurin-9-yl)ethoxy)et...)
Show SMILES OP(O)(=O)CCOCCN1CNc2c1nc[nH]c2=O
Show InChI InChI=1S/C9H15N4O5P/c14-9-7-8(10-5-11-9)13(6-12-7)1-2-18-3-4-19(15,16)17/h5,12H,1-4,6H2,(H,10,11,14)(H2,15,16,17)
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3.60E+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
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293826
PNG
((2-(4-oxo-2,3,4,5-tetrahydropyrazolo[3,4-d]pyrimid...)
Show SMILES OP(O)(=O)COCCN1NCc2c1nc[nH]c2=O
Show InChI InChI=1S/C8H13N4O5P/c13-8-6-3-11-12(7(6)9-4-10-8)1-2-17-5-18(14,15)16/h4,11H,1-3,5H2,(H,9,10,13)(H2,14,15,16)
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4.30E+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
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293819
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6,7,8-tetr...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1CNc2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C10H15N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2,4,6-7,10,13,15-16H,1,3H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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5.40E+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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293818
PNG
(((2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6,7,8-tetrahydro...)
Show SMILES Nc1nc2N(CNc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h3,5-6,9,12,16-17H,1-2H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
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5.80E+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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293830
PNG
(CHEMBL561493 | RS-(3-(2-amino-6-oxo-1,6,7,8-tetrah...)
Show SMILES Nc1nc2N(CC(CO)OCP(O)(O)=O)CNc2c(=O)[nH]1
Show InChI InChI=1S/C9H16N5O6P/c10-9-12-7-6(8(16)13-9)11-3-14(7)1-5(2-15)20-4-21(17,18)19/h5,11,15H,1-4H2,(H2,17,18,19)(H3,10,12,13,16)
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5.90E+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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293835
PNG
((R)-5-(2-Amino-6-oxo-1,6,7,8-tetrahydro-purin-9-yl...)
Show SMILES Nc1nc2N(C[C@@H]3COP(O)(=O)CO3)CNc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C9H14N5O5P/c10-9-12-7-6(8(15)13-9)11-3-14(7)1-5-2-19-20(16,17)4-18-5/h5,11H,1-4H2,(H,16,17)(H3,10,12,13,15)/t5-/m1/s1
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1.23E+4n/an/an/an/an/an/a8.5n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HGPRT at pH 8.5 by spectrophotometric assay


J Med Chem 52: 4391-9 (2009)


Article DOI: 10.1021/jm900267n
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293831
PNG
((S)-(1-(5-amino-7-oxo-1,2,6,7-tetrahydro-[1,2,3]tr...)
Show SMILES C[C@@H](CN1NNc2c1nc(N)[nH]c2=O)OCP(O)(O)=O |r|
Show InChI InChI=1S/C8H15N6O5P/c1-4(19-3-20(16,17)18)2-14-6-5(12-13-14)7(15)11-8(9)10-6/h4,12-13H,2-3H2,1H3,(H2,16,17,18)(H3,9,10,11,15)/t4-/m0/s1
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1.50E+4n/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
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293835
PNG
((R)-5-(2-Amino-6-oxo-1,6,7,8-tetrahydro-purin-9-yl...)
Show SMILES Nc1nc2N(C[C@@H]3COP(O)(=O)CO3)CNc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C9H14N5O5P/c10-9-12-7-6(8(15)13-9)11-3-14(7)1-5-2-19-20(16,17)4-18-5/h5,11H,1-4H2,(H,16,17)(H3,10,12,13,15)/t5-/m1/s1
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1.90E+4n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293836
PNG
(CHEMBL541006 | RS-(1-(2-amino-6-oxo-7,8-dihydro-1H...)
Show SMILES Nc1nc2N(CC(CF)OCP(O)(O)=O)CNc2c(=O)[nH]1
Show InChI InChI=1S/C9H15FN5O5P/c10-1-5(20-4-21(17,18)19)2-15-3-12-6-7(15)13-9(11)14-8(6)16/h5,12H,1-4H2,(H2,17,18,19)(H3,11,13,14,16)
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2.27E+4n/an/an/an/an/an/a8.5n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HGPRT at pH 8.5 by spectrophotometric assay


J Med Chem 52: 4391-9 (2009)


Article DOI: 10.1021/jm900267n
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50225188
PNG
((2-(2-amino-6-oxo-1,6,7,8-tetrahydropurin-9-yl)eth...)
Show SMILES Nc1nc2N(CCOCP(O)(O)=O)CNc2c(=O)[nH]1
Show InChI InChI=1S/C8H14N5O5P/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-18-4-19(15,16)17/h10H,1-4H2,(H2,15,16,17)(H3,9,11,12,14)
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2.90E+4n/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
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293833
PNG
(((R)-1-(2-amino-8-bromo-6-oxo-1,6,7,8-tetrahydropu...)
Show SMILES C[C@H](CN1C(Br)Nc2c1nc(N)[nH]c2=O)OCP(O)(O)=O |r|
Show InChI InChI=1S/C9H15BrN5O5P/c1-4(20-3-21(17,18)19)2-15-6-5(12-8(15)10)7(16)14-9(11)13-6/h4,8,12H,2-3H2,1H3,(H2,17,18,19)(H3,11,13,14,16)/t4-,8?/m1/s1
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4.10E+4n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50225188
PNG
((2-(2-amino-6-oxo-1,6,7,8-tetrahydropurin-9-yl)eth...)
Show SMILES Nc1nc2N(CCOCP(O)(O)=O)CNc2c(=O)[nH]1
Show InChI InChI=1S/C8H14N5O5P/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-18-4-19(15,16)17/h10H,1-4H2,(H2,15,16,17)(H3,9,11,12,14)
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5.59E+4n/an/an/an/an/an/a8.5n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HGPRT at pH 8.5 by spectrophotometric assay


J Med Chem 52: 4391-9 (2009)


Article DOI: 10.1021/jm900267n
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293824
PNG
((2-(2-amino-8-hydroxy-6-oxo-1,6,7,8-tetrahydropuri...)
Show SMILES Nc1nc2N(CCOCP(O)(O)=O)C(O)Nc2c(=O)[nH]1
Show InChI InChI=1S/C8H14N5O6P/c9-7-11-5-4(6(14)12-7)10-8(15)13(5)1-2-19-3-20(16,17)18/h8,10,15H,1-3H2,(H2,16,17,18)(H3,9,11,12,14)
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6.80E+4n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293834
PNG
((S)-5-(2-Amino-6-oxo-1,6,7,8-tetrahydro-purin-9-yl...)
Show SMILES Nc1nc2N(C[C@H]3COP(O)(=O)CO3)CNc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C9H14N5O5P/c10-9-12-7-6(8(15)13-9)11-3-14(7)1-5-2-19-20(16,17)4-18-5/h5,11H,1-4H2,(H,16,17)(H3,10,12,13,15)/t5-/m0/s1
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9.00E+4n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293834
PNG
((S)-5-(2-Amino-6-oxo-1,6,7,8-tetrahydro-purin-9-yl...)
Show SMILES Nc1nc2N(C[C@H]3COP(O)(=O)CO3)CNc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C9H14N5O5P/c10-9-12-7-6(8(15)13-9)11-3-14(7)1-5-2-19-20(16,17)4-18-5/h5,11H,1-4H2,(H,16,17)(H3,10,12,13,15)/t5-/m0/s1
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1.15E+5n/an/an/an/an/an/a8.5n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HGPRT at pH 8.5 by spectrophotometric assay


J Med Chem 52: 4391-9 (2009)


Article DOI: 10.1021/jm900267n
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293828
PNG
(CHEMBL560759 | isopropyl(2-(2-amino-6-oxo-1,6,7,8-...)
Show SMILES CC(C)OP(O)(=O)COCCN1CNc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C11H20N5O5P/c1-7(2)21-22(18,19)6-20-4-3-16-5-13-8-9(16)14-11(12)15-10(8)17/h7,13H,3-6H2,1-2H3,(H,18,19)(H3,12,14,15,17)
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1.40E+5n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293823
PNG
((2-(5-amino-7-oxo-1,2,6,7-tetrahydro-[1,2,3]triazo...)
Show SMILES Nc1nc2N(CCOCP(O)(O)=O)NNc2c(=O)[nH]1
Show InChI InChI=1S/C7H13N6O5P/c8-7-9-5-4(6(14)10-7)11-12-13(5)1-2-18-3-19(15,16)17/h11-12H,1-3H2,(H2,15,16,17)(H3,8,9,10,14)
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1.75E+5n/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
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293837
PNG
((S)-9-[3-hydroxy-2-(phosphonomethoxy)propyl]guanin...)
Show SMILES Nc1nc2N(C[C@@H](CO)OCP(O)(O)=O)CNc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C9H16N5O6P/c10-9-12-7-6(8(16)13-9)11-3-14(7)1-5(2-15)20-4-21(17,18)19/h5,11,15H,1-4H2,(H2,17,18,19)(H3,10,12,13,16)/t5-/m0/s1
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1.77E+5n/an/an/an/an/an/a8.5n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HGPRT at pH 8.5 by spectrophotometric assay


J Med Chem 52: 4391-9 (2009)


Article DOI: 10.1021/jm900267n
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293838
PNG
((2-(6-oxo-1,6,7,8-tetrahydropurin-9-yl)ethoxy)meth...)
Show SMILES OP(O)(=O)COCCN1CNc2c1nc[nH]c2=O
Show InChI InChI=1S/C8H13N4O5P/c13-8-6-7(9-3-10-8)12(4-11-6)1-2-17-5-18(14,15)16/h3,11H,1-2,4-5H2,(H,9,10,13)(H2,14,15,16)
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1.82E+5n/an/an/an/an/an/a8.5n/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HGPRT at pH 8.5 by spectrophotometric assay


J Med Chem 52: 4391-9 (2009)


Article DOI: 10.1021/jm900267n
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293832
PNG
(((S)-1-(2-amino-8-bromo-6-oxo-1,6,7,8-tetrahydropu...)
Show SMILES C[C@@H](CN1C(Br)Nc2c1nc(N)[nH]c2=O)OCP(O)(O)=O |r|
Show InChI InChI=1S/C9H15BrN5O5P/c1-4(20-3-21(17,18)19)2-15-6-5(12-8(15)10)7(16)14-9(11)13-6/h4,8,12H,2-3H2,1H3,(H2,17,18,19)(H3,11,13,14,16)/t4-,8?/m0/s1
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>3.00E+5n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293825
PNG
((2-(2-amino-8-bromo-6-oxo-1,6,7,8-tetrahydropurin-...)
Show SMILES Nc1nc2N(CCOCP(O)(O)=O)C(Br)Nc2c(=O)[nH]1
Show InChI InChI=1S/C8H13BrN5O5P/c9-7-11-4-5(12-8(10)13-6(4)15)14(7)1-2-19-3-20(16,17)18/h7,11H,1-3H2,(H2,16,17,18)(H3,10,12,13,15)
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>4.00E+5n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293827
PNG
((2-(2-amino-6-thioxo-1,6,7,8-tetrahydropurin-9-yl)...)
Show SMILES Nc1nc2N(CCOCP(O)(O)=O)CNc2c(=S)[nH]1
Show InChI InChI=1S/C8H14N5O4PS/c9-8-11-6-5(7(19)12-8)10-3-13(6)1-2-17-4-18(14,15)16/h10H,1-4H2,(H2,14,15,16)(H3,9,11,12,19)
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>1.00E+6n/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
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50293829
PNG
(6-methylheptyl(2-(2-amino-6-oxo-1,6,7,8-tetrahydro...)
Show SMILES CC(C)CCCCCOP(O)(=O)COCCN1CNc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C16H30N5O5P/c1-12(2)6-4-3-5-8-26-27(23,24)11-25-9-7-21-10-18-13-14(21)19-16(17)20-15(13)22/h12,18H,3-11H2,1-2H3,(H,23,24)(H3,17,19,20,22)
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>1.00E+6n/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
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
* indicates data uncertainty>20%