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PubMed code 22178188

Compile data set for download or QSAR
Found 19 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))
BDBM50049966
PNG
(CHEMBL177948 | [4-(2-Amino-6-oxo-1,6-dihydro-purin...)
Show SMILES Nc1nc2n(COCCCCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H16N5O5P/c11-10-13-8-7(9(16)14-10)12-5-15(8)6-20-3-1-2-4-21(17,18)19/h5H,1-4,6H2,(H2,17,18,19)(H3,11,13,14,16)
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400n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50039559
PNG
(CHEMBL267803 | [5-(2-Amino-6-oxo-1,6-dihydro-purin...)
Show SMILES Nc1nc2n(CCCCCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H16N5O4P/c11-10-13-8-7(9(16)14-10)12-6-15(8)4-2-1-3-5-20(17,18)19/h6H,1-5H2,(H2,17,18,19)(H3,11,13,14,16)
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500n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50360117
PNG
(CHEMBL1928784)
Show SMILES Nc1nc2n(CCCCCCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C11H18N5O4P/c12-11-14-9-8(10(17)15-11)13-7-16(9)5-3-1-2-4-6-21(18,19)20/h7H,1-6H2,(H2,18,19,20)(H3,12,14,15,17)
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500n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50360122
PNG
(CHEMBL1928777)
Show SMILES OP(O)(=O)Cn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C6H7N4O4P/c11-6-4-5(7-1-8-6)10(2-9-4)3-15(12,13)14/h1-2H,3H2,(H,7,8,11)(H2,12,13,14)
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1.90E+3n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50360116
PNG
(CHEMBL1928783)
Show SMILES Nc1nc2n(COCCCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H14N5O5P/c10-9-12-7-6(8(15)13-9)11-4-14(7)5-19-2-1-3-20(16,17)18/h4H,1-3,5H2,(H2,16,17,18)(H3,10,12,13,15)
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3.00E+3n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50360109
PNG
(CHEMBL1928778)
Show SMILES OP(O)(=O)CCn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C7H9N4O4P/c12-7-5-6(8-3-9-7)11(4-10-5)1-2-16(13,14)15/h3-4H,1-2H2,(H,8,9,12)(H2,13,14,15)
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3.40E+3n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50049962
PNG
(CHEMBL172844 | [7-(2-Amino-6-oxo-1,6-dihydro-purin...)
Show SMILES Nc1nc2n(CCCCCCCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C12H20N5O4P/c13-12-15-10-9(11(18)16-12)14-8-17(10)6-4-2-1-3-5-7-22(19,20)21/h8H,1-7H2,(H2,19,20,21)(H3,13,15,16,18)
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5.00E+3n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50360112
PNG
(CHEMBL19784)
Show SMILES Nc1nc2n(CCCCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H14N5O4P/c10-9-12-7-6(8(15)13-9)11-5-14(7)3-1-2-4-19(16,17)18/h5H,1-4H2,(H2,16,17,18)(H3,10,12,13,15)
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2.10E+4n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50360119
PNG
(CHEMBL1928930)
Show SMILES OP(O)(=O)CCCCOCn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C10H15N4O5P/c15-10-8-9(11-5-12-10)14(6-13-8)7-19-3-1-2-4-20(16,17)18/h5-6H,1-4,7H2,(H,11,12,15)(H2,16,17,18)
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2.80E+4n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50360114
PNG
(CHEMBL20283)
Show SMILES Nc1nc2n(COCCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H12N5O5P/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-18-1-2-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)
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3.10E+4n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50360115
PNG
(CHEMBL1928782)
Show SMILES OP(O)(=O)CCOCn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C8H11N4O5P/c13-8-6-7(9-3-10-8)12(4-11-6)5-17-1-2-18(14,15)16/h3-4H,1-2,5H2,(H,9,10,13)(H2,14,15,16)
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5.60E+4n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50360118
PNG
(CHEMBL1928785)
Show SMILES OP(O)(=O)CCCCCCn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C11H17N4O4P/c16-11-9-10(12-7-13-11)15(8-14-9)5-3-1-2-4-6-20(17,18)19/h7-8H,1-6H2,(H,12,13,16)(H2,17,18,19)
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7.70E+4n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50039555
PNG
(CHEMBL13130 | [5-(6-Oxo-1,6-dihydro-purin-9-yl)-pe...)
Show SMILES OP(O)(=O)CCCCCn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C10H15N4O4P/c15-10-8-9(11-6-12-10)14(7-13-8)4-2-1-3-5-19(16,17)18/h6-7H,1-5H2,(H,11,12,15)(H2,16,17,18)
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>1.00E+5n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50360113
PNG
(CHEMBL1928781)
Show SMILES OP(O)(=O)CCCCn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C9H13N4O4P/c14-9-7-8(10-5-11-9)13(6-12-7)3-1-2-4-18(15,16)17/h5-6H,1-4H2,(H,10,11,14)(H2,15,16,17)
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>1.00E+5n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50360108
PNG
(CHEMBL1928775)
Show SMILES Nc1nc2n(CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C7H10N5O4P/c8-7-10-5-4(6(13)11-7)9-3-12(5)1-2-17(14,15)16/h3H,1-2H2,(H2,14,15,16)(H3,8,10,11,13)
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>1.00E+5n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50360121
PNG
(CHEMBL1928776)
Show SMILES Nc1nc2n(CP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C6H8N5O4P/c7-6-9-4-3(5(12)10-6)8-1-11(4)2-16(13,14)15/h1H,2H2,(H2,13,14,15)(H3,7,9,10,12)
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>1.00E+5n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50360120
PNG
(CHEMBL1928931)
Show SMILES OP(O)(=O)CCCCCCCn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C12H19N4O4P/c17-12-10-11(13-8-14-12)16(9-15-10)6-4-2-1-3-5-7-21(18,19)20/h8-9H,1-7H2,(H,13,14,17)(H2,18,19,20)
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>1.00E+5n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50360111
PNG
(CHEMBL1928780)
Show SMILES OP(O)(=O)CCCn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C8H11N4O4P/c13-8-6-7(9-4-10-8)12(5-11-6)2-1-3-17(14,15)16/h4-5H,1-3H2,(H,9,10,13)(H2,14,15,16)
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>1.00E+5n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50360110
PNG
(CHEMBL1928779)
Show SMILES Nc1nc2n(CCCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H12N5O4P/c9-8-11-6-5(7(14)12-8)10-4-13(6)2-1-3-18(15,16)17/h4H,1-3H2,(H2,15,16,17)(H3,9,11,12,14)
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>1.00E+5n/an/an/an/an/an/an/an/a



Academy of Sciences of Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


Bioorg Med Chem 20: 1076-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.034
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%