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PubMed code 23810424

Compile data set for download or QSAR
Found 23 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))
BDBM50438479
PNG
(CHEMBL2414636)
Show SMILES OC[C@H](CCP(O)(O)=O)NCc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H17N4O5P/c16-5-8(1-2-21(18,19)20)12-3-7-4-13-10-9(7)14-6-15-11(10)17/h4,6,8,12-13,16H,1-3,5H2,(H,14,15,17)(H2,18,19,20)/t8-/m0/s1
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380n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438477
PNG
(CHEMBL2414638)
Show SMILES OC[C@H](CC(F)P(O)(O)=O)NCc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H16FN4O5P/c12-8(22(19,20)21)1-7(4-17)13-2-6-3-14-10-9(6)15-5-16-11(10)18/h3,5,7-8,13-14,17H,1-2,4H2,(H,15,16,18)(H2,19,20,21)/t7-,8?/m0/s1
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420n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438487
PNG
(CHEMBL2414703)
Show SMILES OP(O)(=O)CCCNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C10H15N4O4P/c15-10-9-8(13-6-14-10)7(5-12-9)4-11-2-1-3-19(16,17)18/h5-6,11-12H,1-4H2,(H,13,14,15)(H2,16,17,18)
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4.90E+3n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438489
PNG
(CHEMBL2414644)
Show SMILES OP(O)(=O)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C8H11N4O4P/c13-8-7-6(11-3-12-8)5(2-10-7)1-9-4-17(14,15)16/h2-3,9-10H,1,4H2,(H,11,12,13)(H2,14,15,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438471
PNG
(CHEMBL2414625)
Show SMILES OC[C@H](COP(O)(O)=O)NCc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C10H15N4O6P/c15-3-7(4-20-21(17,18)19)11-1-6-2-12-9-8(6)13-5-14-10(9)16/h2,5,7,11-12,15H,1,3-4H2,(H,13,14,16)(H2,17,18,19)/t7-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438481
PNG
(CHEMBL2414634)
Show SMILES OP(O)(O)CC(=O)CNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C10H15N4O5P/c15-7(4-20(17,18)19)3-11-1-6-2-12-9-8(6)13-5-14-10(9)16/h2,5,11-12,17-20H,1,3-4H2,(H,13,14,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438484
PNG
(CHEMBL2414631)
Show SMILES OP(O)(=O)CCCNCc1[nH]nc2c1nc[nH]c2=O
Show InChI InChI=1S/C9H14N5O4P/c15-9-8-7(11-5-12-9)6(13-14-8)4-10-2-1-3-19(16,17)18/h5,10H,1-4H2,(H,13,14)(H,11,12,15)(H2,16,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438469
PNG
(CHEMBL2414627)
Show SMILES Nc1nc2c(CN[C@@H](CO)COP(O)(O)=O)c[nH]c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C10H16N5O6P/c11-10-14-7-5(2-13-8(7)9(17)15-10)1-12-6(3-16)4-21-22(18,19)20/h2,6,12-13,16H,1,3-4H2,(H2,18,19,20)(H3,11,14,15,17)/t6-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438471
PNG
(CHEMBL2414625)
Show SMILES OC[C@H](COP(O)(O)=O)NCc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C10H15N4O6P/c15-3-7(4-20-21(17,18)19)11-1-6-2-12-9-8(6)13-5-14-10(9)16/h2,5,7,11-12,15H,1,3-4H2,(H,13,14,16)(H2,17,18,19)/t7-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438475
PNG
(CHEMBL2414640)
Show SMILES Nc1nc2c(CN[C@H](CO)CC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C11H16F2N5O5P/c12-11(13,24(21,22)23)1-6(4-19)15-2-5-3-16-8-7(5)17-10(14)18-9(8)20/h3,6,15-16,19H,1-2,4H2,(H2,21,22,23)(H3,14,17,18,20)/t6-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438476
PNG
(CHEMBL2414639)
Show SMILES OC[C@H](CC(F)(F)P(O)(O)=O)NCc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H15F2N4O5P/c12-11(13,23(20,21)22)1-7(4-18)14-2-6-3-15-9-8(6)16-5-17-10(9)19/h3,5,7,14-15,18H,1-2,4H2,(H,16,17,19)(H2,20,21,22)/t7-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438486
PNG
(CHEMBL2414629)
Show SMILES OP(O)(=O)CCCCNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H17N4O4P/c16-11-10-9(14-7-15-11)8(6-13-10)5-12-3-1-2-4-20(17,18)19/h6-7,12-13H,1-5H2,(H,14,15,16)(H2,17,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438474
PNG
(CHEMBL2414641)
Show SMILES OP(O)(=O)OCCNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C9H13N4O5P/c14-9-8-7(12-5-13-9)6(4-11-8)3-10-1-2-18-19(15,16)17/h4-5,10-11H,1-3H2,(H,12,13,14)(H2,15,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438468
PNG
(CHEMBL2414628)
Show SMILES OC[C@@H](NCc1c[nH]c2c1nc[nH]c2=O)[C@H](O)COP(O)(O)=O |r|
Show InChI InChI=1S/C11H17N4O7P/c16-3-7(8(17)4-22-23(19,20)21)12-1-6-2-13-10-9(6)14-5-15-11(10)18/h2,5,7-8,12-13,16-17H,1,3-4H2,(H,14,15,18)(H2,19,20,21)/t7-,8-/m1/s1
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Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438472
PNG
(CHEMBL2414624)
Show SMILES OCC(CO)(COP(O)(O)=O)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H17N4O7P/c16-3-11(4-17,5-22-23(19,20)21)15-2-7-1-12-9-8(7)13-6-14-10(9)18/h1,6,12,15-17H,2-5H2,(H,13,14,18)(H2,19,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438488
PNG
(CHEMBL2414702)
Show SMILES OP(O)(=O)CCNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C9H13N4O4P/c14-9-8-7(12-5-13-9)6(4-11-8)3-10-1-2-18(15,16)17/h4-5,10-11H,1-3H2,(H,12,13,14)(H2,15,16,17)
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Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438480
PNG
(CHEMBL2414635)
Show SMILES OCC(CNCc1c[nH]c2c1nc[nH]c2=O)CP(O)(O)=O
Show InChI InChI=1S/C11H17N4O5P/c16-4-7(5-21(18,19)20)1-12-2-8-3-13-10-9(8)14-6-15-11(10)17/h3,6-7,12-13,16H,1-2,4-5H2,(H,14,15,17)(H2,18,19,20)
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Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438483
PNG
(CHEMBL2414632)
Show SMILES OP(O)(=O)CCNCCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C10H15N4O4P/c15-10-9-8(13-6-14-10)7(5-12-9)1-2-11-3-4-19(16,17)18/h5-6,11-12H,1-4H2,(H,13,14,15)(H2,16,17,18)
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Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438485
PNG
(CHEMBL2414630)
Show SMILES OP(O)(=O)CCCCCNCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C12H19N4O4P/c17-12-11-10(15-8-16-12)9(7-14-11)6-13-4-2-1-3-5-21(18,19)20/h7-8,13-14H,1-6H2,(H,15,16,17)(H2,18,19,20)
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Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438470
PNG
(CHEMBL2414626)
Show SMILES Nc1nc2c(CN[C@H](CO)COP(O)(O)=O)c[nH]c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C10H16N5O6P/c11-10-14-7-5(2-13-8(7)9(17)15-10)1-12-6(3-16)4-21-22(18,19)20/h2,6,12-13,16H,1,3-4H2,(H2,18,19,20)(H3,11,14,15,17)/t6-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438473
PNG
(CHEMBL2414643)
Show SMILES OCC(COP(O)(O)=O)NCc1c[nH]c2c1nc(Cl)[nH]c2=O
Show InChI InChI=1S/C10H14ClN4O6P/c11-10-14-7-5(2-13-8(7)9(17)15-10)1-12-6(3-16)4-21-22(18,19)20/h2,6,12-13,16H,1,3-4H2,(H,14,15,17)(H2,18,19,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438482
PNG
(CHEMBL2414633)
Show SMILES OP(O)(=O)CCCNCCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H17N4O4P/c16-11-10-9(14-7-15-11)8(6-13-10)2-4-12-3-1-5-20(17,18)19/h6-7,12-13H,1-5H2,(H,14,15,16)(H2,17,18,19)
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1.13E+4n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50438478
PNG
(CHEMBL2414637)
Show SMILES OC[C@@H](CCP(O)(O)=O)NCc1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H17N4O5P/c16-5-8(1-2-21(18,19)20)12-3-7-4-13-10-9(7)14-6-15-11(10)17/h4,6,8,12-13,16H,1-3,5H2,(H,14,15,17)(H2,18,19,20)/t8-/m1/s1
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1.60E+4n/an/an/an/an/an/an/an/a



Industrial Research Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...


Bioorg Med Chem 21: 5629-46 (2013)


Article DOI: 10.1016/j.bmc.2013.02.016
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%