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Compile Data Set for Download or QSAR

Found 170 hits of ki for UniProtKB: P00492   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50089450
PNG
(CHEMBL3578115)
Show SMILES OP(O)(=O)CCN(CCN(CCP(O)(O)=O)CCP(O)(O)=O)CCn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C15H29N6O10P3/c22-15-13-14(16-11-17-15)21(12-18-13)4-3-19(5-8-32(23,24)25)1-2-20(6-9-33(26,27)28)7-10-34(29,30)31/h11-12H,1-10H2,(H,16,17,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)
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10n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 4822-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00611
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50089444
PNG
(CHEMBL3578110)
Show SMILES Nc1nc2n(CCN(CCN(CCO)CCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C15H29N7O8P2/c16-15-18-13-12(14(24)19-15)17-11-22(13)4-3-20(6-9-31(25,26)27)1-2-21(5-8-23)7-10-32(28,29)30/h11,23H,1-10H2,(H2,25,26,27)(H2,28,29,30)(H3,16,18,19,24)
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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 HGPRT


J Med Chem 58: 4822-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00611
More data for this
Ligand-Target Pair
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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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))
BDBM50089449
PNG
(CHEMBL3578114)
Show SMILES Nc1nc2n(CCN(CCN(CCP(O)(O)=O)CCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C15H30N7O10P3/c16-15-18-13-12(14(23)19-15)17-11-22(13)4-3-20(5-8-33(24,25)26)1-2-21(6-9-34(27,28)29)7-10-35(30,31)32/h11H,1-10H2,(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H3,16,18,19,23)
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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 HGPRT


J Med Chem 58: 4822-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00611
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50059910
PNG
(CHEMBL3394315)
Show SMILES Nc1nc2n(CCN(CCP(O)(O)=O)COCCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C12H22N6O8P2/c13-12-15-10-9(11(19)16-12)14-7-18(10)2-1-17(3-5-27(20,21)22)8-26-4-6-28(23,24)25/h7H,1-6,8H2,(H2,20,21,22)(H2,23,24,25)(H3,13,15,16,19)
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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 HGPRT


J Med Chem 58: 827-46 (2015)


Article DOI: 10.1021/jm501416t
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50089446
PNG
(CHEMBL3578112)
Show SMILES Nc1nc2n(CCN(CCN(CCCO)CCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C16H31N7O8P2/c17-16-19-14-13(15(25)20-16)18-12-23(14)6-5-22(8-11-33(29,30)31)4-3-21(2-1-9-24)7-10-32(26,27)28/h12,24H,1-11H2,(H2,26,27,28)(H2,29,30,31)(H3,17,19,20,25)
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40n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 4822-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00611
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50059908
PNG
(CHEMBL3394327)
Show SMILES Nc1nc2n(CCN(CCOCCP(O)(O)=O)CCP(O)(O)=O)c(Br)nc2c(=O)[nH]1
Show InChI InChI=1S/C13H23BrN6O8P2/c14-12-16-9-10(17-13(15)18-11(9)21)20(12)2-1-19(4-7-29(22,23)24)3-5-28-6-8-30(25,26)27/h1-8H2,(H2,22,23,24)(H2,25,26,27)(H3,15,17,18,21)
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40n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 827-46 (2015)


Article DOI: 10.1021/jm501416t
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM194496
PNG
(US9200020, Table 3 compound 5)
Show SMILES Nc1nc2n(CCN(CCC#N)CCP(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C8H18BN2O3P/c9-3-7-11(5-1-4-10)6-2-8-15(12,13)14/h1-3,5-9H2,(H2,12,13,14)
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70n/an/an/an/an/an/a7.4n/a



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The Ki values were determined using a spectrophotometric assay at 25 C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...


US Patent US9200020 (2015)

More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50392263
PNG
(CHEMBL2153497)
Show SMILES Nc1nc2n(CCN(CCO)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C11H19N6O5P/c12-11-14-9-8(10(19)15-11)13-7-17(9)2-1-16(3-5-18)4-6-23(20,21)22/h7,18H,1-6H2,(H2,20,21,22)(H3,12,14,15,19)
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70n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay in presence of guanine


J Med Chem 55: 6209-23 (2012)


Article DOI: 10.1021/jm300662d
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50392261
PNG
(CHEMBL2153480)
Show SMILES Nc1nc2n(CCN(CCC#N)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C12H18N7O4P/c13-2-1-3-18(6-7-24(21,22)23)4-5-19-8-15-9-10(19)16-12(14)17-11(9)20/h8H,1,3-7H2,(H2,21,22,23)(H3,14,16,17,20)
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70n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay in presence of guanine


J Med Chem 55: 6209-23 (2012)


Article DOI: 10.1021/jm300662d
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50392261
PNG
(CHEMBL2153480)
Show SMILES Nc1nc2n(CCN(CCC#N)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C12H18N7O4P/c13-2-1-3-18(6-7-24(21,22)23)4-5-19-8-15-9-10(19)16-12(14)17-11(9)20/h8H,1,3-7H2,(H2,21,22,23)(H3,14,16,17,20)
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70n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 827-46 (2015)


Article DOI: 10.1021/jm501416t
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM194501
PNG
(US9200020, Table 3 compound 10)
Show SMILES Nc1nc2n(CCN(CCO)CCP(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C7H19BNO4P/c8-2-4-9(5-6-10)3-1-7-14(11,12)13/h10H,1-8H2,(H2,11,12,13)
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70n/an/an/an/an/an/a7.4n/a



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The Ki values were determined using a spectrophotometric assay at 25 C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...


US Patent US9200020 (2015)

More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50059909
PNG
(CHEMBL3394316)
Show SMILES Nc1nc2n(CCN(CCOCCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C13H24N6O8P2/c14-13-16-11-10(12(20)17-13)15-9-19(11)2-1-18(4-7-28(21,22)23)3-5-27-6-8-29(24,25)26/h9H,1-8H2,(H2,21,22,23)(H2,24,25,26)(H3,14,16,17,20)
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80n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 827-46 (2015)


Article DOI: 10.1021/jm501416t
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM194500
PNG
(US9200020, Table 3 compound 9)
Show SMILES Nc1nc2n(CCN(CCCC(O)=O)CCP(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C9H21BNO5P/c10-4-7-11(5-1-3-9(12)13)6-2-8-17(14,15)16/h1-8,10H2,(H,12,13)(H2,14,15,16)
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100n/an/an/an/an/an/a7.4n/a



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The Ki values were determined using a spectrophotometric assay at 25 C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...


US Patent US9200020 (2015)

More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM194494
PNG
(US9200020, Table 3 compound 3)
Show SMILES COC(=O)CCCN(CCn1c[nH]c2c1nc(N)[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C10H23BNO5P/c1-17-10(13)4-2-6-12(8-5-11)7-3-9-18(14,15)16/h2-9,11H2,1H3,(H2,14,15,16)
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100n/an/an/an/an/an/a7.4n/a



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The Ki values were determined using a spectrophotometric assay at 25 C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...


US Patent US9200020 (2015)

More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM194492
PNG
(US9200020, Table 3 compound 1)
Show SMILES CCOC(=O)CN(CCn1c[nH]c2c1nc(N)[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C9H21BNO5P/c1-2-16-9(12)8-11(6-4-10)5-3-7-17(13,14)15/h2-8,10H2,1H3,(H2,13,14,15)
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100n/an/an/an/an/an/a7.4n/a



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The Ki values were determined using a spectrophotometric assay at 25 C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...


US Patent US9200020 (2015)

More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50392266
PNG
(CHEMBL2153484)
Show SMILES Nc1nc2n(CCN(CCCC(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C13H21N6O6P/c14-13-16-11-10(12(22)17-13)15-8-19(11)5-4-18(3-1-2-9(20)21)6-7-26(23,24)25/h8H,1-7H2,(H,20,21)(H2,23,24,25)(H3,14,16,17,22)
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100n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay in presence of guanine


J Med Chem 55: 6209-23 (2012)


Article DOI: 10.1021/jm300662d
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50439836
PNG
(CHEMBL2420072)
Show SMILES Nc1nc2n(C[C@@H](CF)OCCP(O)(O)=O)cnc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C10H15FN5O5P/c11-3-6(21-1-2-22(18,19)20)4-16-5-13-7-8(16)14-10(12)15-9(7)17/h5-6H,1-4H2,(H2,18,19,20)(H3,12,14,15,17)/t6-/m1/s1
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100n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HGPRT expressed in Escherichia coli Sphi606 cells by spectrophotometric analysis


Eur J Med Chem 67: 81-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.032
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50392260
PNG
(CHEMBL2153478)
Show SMILES COC(=O)CCCN(CCn1cnc2c1nc(N)[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C14H23N6O6P/c1-26-10(21)3-2-4-19(7-8-27(23,24)25)5-6-20-9-16-11-12(20)17-14(15)18-13(11)22/h9H,2-8H2,1H3,(H2,23,24,25)(H3,15,17,18,22)
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100n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay in presence of guanine


J Med Chem 55: 6209-23 (2012)


Article DOI: 10.1021/jm300662d
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50392258
PNG
(CHEMBL2153476)
Show SMILES CCOC(=O)CN(CCn1cnc2c1nc(N)[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C13H21N6O6P/c1-2-25-9(20)7-18(5-6-26(22,23)24)3-4-19-8-15-10-11(19)16-13(14)17-12(10)21/h8H,2-7H2,1H3,(H2,22,23,24)(H3,14,16,17,21)
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100n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay in presence of guanine


J Med Chem 55: 6209-23 (2012)


Article DOI: 10.1021/jm300662d
More data for this
Ligand-Target Pair
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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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))
BDBM194499
PNG
(US9200020, Table 3 compound 8)
Show SMILES Nc1nc2n(CCN(CCC(O)=O)CCP(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C8H19BNO5P/c9-3-6-10(5-2-8(11)12)4-1-7-16(13,14)15/h1-7,9H2,(H,11,12)(H2,13,14,15)
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150n/an/an/an/an/an/a7.4n/a



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The Ki values were determined using a spectrophotometric assay at 25 C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...


US Patent US9200020 (2015)

More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50392265
PNG
(CHEMBL2153483)
Show SMILES Nc1nc2n(CCN(CCC(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C12H19N6O6P/c13-12-15-10-9(11(21)16-12)14-7-18(10)4-3-17(2-1-8(19)20)5-6-25(22,23)24/h7H,1-6H2,(H,19,20)(H2,22,23,24)(H3,13,15,16,21)
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150n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay in presence of guanine


J Med Chem 55: 6209-23 (2012)


Article DOI: 10.1021/jm300662d
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50059913
PNG
(CHEMBL3394312)
Show SMILES OP(O)(=O)CCOCN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C12H21N5O8P2/c18-12-10-11(13-7-14-12)17(8-15-10)2-1-16(3-5-26(19,20)21)9-25-4-6-27(22,23)24/h7-8H,1-6,9H2,(H,13,14,18)(H2,19,20,21)(H2,22,23,24)
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190n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 827-46 (2015)


Article DOI: 10.1021/jm501416t
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM194502
PNG
(US9200020, Table 3 compound 11)
Show SMILES Nc1nc2n(CCN(CCP(O)(O)=O)CCP(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C7H20BNO6P2/c8-2-4-9(5-7-17(13,14)15)3-1-6-16(10,11)12/h1-8H2,(H2,10,11,12)(H2,13,14,15)
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200n/an/an/an/an/an/a7.4n/a



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The Ki values were determined using a spectrophotometric assay at 25 C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...


US Patent US9200020 (2015)

More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50392267
PNG
(CHEMBL2153485)
Show SMILES Nc1nc2n(CCN(CCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C11H20N6O7P2/c12-11-14-9-8(10(18)15-11)13-7-17(9)2-1-16(3-5-25(19,20)21)4-6-26(22,23)24/h7H,1-6H2,(H2,19,20,21)(H2,22,23,24)(H3,12,14,15,18)
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200n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay in presence of guanine


J Med Chem 55: 6209-23 (2012)


Article DOI: 10.1021/jm300662d
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50059911
PNG
(CHEMBL3394314)
Show SMILES Nc1nc2n(CCN(CCCCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C13H24N6O7P2/c14-13-16-11-10(12(20)17-13)15-9-19(11)5-4-18(6-8-28(24,25)26)3-1-2-7-27(21,22)23/h9H,1-8H2,(H2,21,22,23)(H2,24,25,26)(H3,14,16,17,20)
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300n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 827-46 (2015)


Article DOI: 10.1021/jm501416t
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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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))
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))
BDBM92358
PNG
(HGXPRT Inhibitor, 3)
Show SMILES OC[C@H](CCP([O-])([O-])=O)[NH2+]c1c[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C10H13N4O5P/c15-4-6(1-2-20(17,18)19)14-7-3-11-9-8(7)12-5-13-10(9)16/h3,5-6,14-15H,1-2,4H2,(H2,17,18,19)/p-1/t6-/m0/s1
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385 -9.10n/an/an/an/an/a7.637



Albert Einstein College of Medicine



Assay Description
PfHGXPRT activity was measured using spectrophotometric assay observing the conversion of xanthine and 5-phospho-alpha-D-ribose-1-pyrophosphate to xa...


Chem Biol 19: 721-30 (2012)


Article DOI: 10.1016/j.chembiol.2012.04.012
More data for this
Ligand-Target Pair
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))
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))
BDBM50089445
PNG
(CHEMBL3578111)
Show SMILES OCCN(CCN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O)CCP(O)(O)=O
Show InChI InChI=1S/C15H28N6O8P2/c22-8-5-20(7-10-31(27,28)29)2-1-19(6-9-30(24,25)26)3-4-21-12-18-13-14(21)16-11-17-15(13)23/h11-12,22H,1-10H2,(H,16,17,23)(H2,24,25,26)(H2,27,28,29)
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500n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 4822-38 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00611
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM194493
PNG
(US9200020, Table 3 compound 2)
Show SMILES COC(=O)CCN(CCn1c[nH]c2c1nc(N)[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C9H21BNO5P/c1-16-9(12)3-6-11(7-4-10)5-2-8-17(13,14)15/h2-8,10H2,1H3,(H2,13,14,15)
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500n/an/an/an/an/an/a7.4n/a



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The Ki values were determined using a spectrophotometric assay at 25 C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...


US Patent US9200020 (2015)

More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50128869
PNG
(2,2-Dichloro-N-chrysen-6-yl-acetamide | CHEMBL8805...)
Show SMILES ClC(Cl)C(=O)Nc1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C20H13Cl2NO/c21-19(22)20(24)23-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19H,(H,23,24)
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500n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
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))
BDBM50392259
PNG
(CHEMBL2153477)
Show SMILES COC(=O)CCN(CCn1cnc2c1nc(N)[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C13H21N6O6P/c1-25-9(20)2-3-18(6-7-26(22,23)24)4-5-19-8-15-10-11(19)16-13(14)17-12(10)21/h8H,2-7H2,1H3,(H2,22,23,24)(H3,14,16,17,21)
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500n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay in presence of guanine


J Med Chem 55: 6209-23 (2012)


Article DOI: 10.1021/jm300662d
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM194497
PNG
(US9200020, Table 3 compound 6)
Show SMILES Nc1nc2n(CCN(CCCC#N)CCP(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C9H20BN2O3P/c10-4-8-12(6-2-1-5-11)7-3-9-16(13,14)15/h1-4,6-10H2,(H2,13,14,15)
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600n/an/an/an/an/an/a7.4n/a



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The Ki values were determined using a spectrophotometric assay at 25 C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...


US Patent US9200020 (2015)

More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50392262
PNG
(CHEMBL2153481)
Show SMILES Nc1nc2n(CCN(CCCC#N)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C13H20N7O4P/c14-3-1-2-4-19(7-8-25(22,23)24)5-6-20-9-16-10-11(20)17-13(15)18-12(10)21/h9H,1-2,4-8H2,(H2,22,23,24)(H3,15,17,18,21)
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600n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay in presence of guanine


J Med Chem 55: 6209-23 (2012)


Article DOI: 10.1021/jm300662d
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))
BDBM50111505
PNG
(CHEMBL3604955)
Show SMILES Nc1nc2n(CCN(CCP(O)(O)=O)CC(O)CO)cnc2c(=O)[nH]1
Show InChI InChI=1/C12H21N6O6P/c13-12-15-10-9(11(21)16-12)14-7-18(10)2-1-17(5-8(20)6-19)3-4-25(22,23)24/h7-8,19-20H,1-6H2,(H2,22,23,24)(H3,13,15,16,21)
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600n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT by spectrophotometric assay


Bioorg Med Chem 23: 5502-10 (2015)

More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50128871
PNG
(CHEMBL313154 | Chrysen-6-ylamine)
Show SMILES Nc1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2
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600n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM194490
PNG
(US9200020, Table 1, Compound 1)
Show SMILES Nc1nc2n(CCOCCP(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C4H12BO4P/c5-1-2-9-3-4-10(6,7)8/h1-5H2,(H2,6,7,8)
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US Patent
1.00E+3n/an/an/an/an/an/a7.4n/a



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The Ki values were determined using a spectrophotometric assay at 25 C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...


US Patent US9200020 (2015)

More data for this
Ligand-Target Pair
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))
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))
BDBM50059912
PNG
(CHEMBL3394313)
Show SMILES OP(O)(=O)CCOCCN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C13H23N5O8P2/c19-13-11-12(14-9-15-13)18(10-16-11)2-1-17(4-7-27(20,21)22)3-5-26-6-8-28(23,24)25/h9-10H,1-8H2,(H,14,15,19)(H2,20,21,22)(H2,23,24,25)
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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 HGPRT


J Med Chem 58: 827-46 (2015)


Article DOI: 10.1021/jm501416t
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50392264
PNG
(CHEMBL2153482)
Show SMILES Nc1nc2n(CCN(CCP(O)(O)=O)CC(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C11H17N6O6P/c12-11-14-9-8(10(20)15-11)13-6-17(9)2-1-16(5-7(18)19)3-4-24(21,22)23/h6H,1-5H2,(H,18,19)(H2,21,22,23)(H3,12,14,15,20)
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1.40E+3n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay in presence of guanine


J Med Chem 55: 6209-23 (2012)


Article DOI: 10.1021/jm300662d
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM194498
PNG
(US9200020, Table 3 compound 7)
Show SMILES Nc1nc2n(CCN(CCP(O)(O)=O)CC(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C7H17BNO5P/c8-2-4-9(6-7(10)11)3-1-5-15(12,13)14/h1-6,8H2,(H,10,11)(H2,12,13,14)
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1.40E+3n/an/an/an/an/an/a7.4n/a



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The Ki values were determined using a spectrophotometric assay at 25 C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...


US Patent US9200020 (2015)

More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
BDBM50439833
PNG
(CHEMBL2420080)
Show SMILES OP(O)(=O)CCO[C@H](CF)Cn1cnc2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C10H14FN4O5P/c11-3-7(20-1-2-21(17,18)19)4-15-6-14-8-9(15)12-5-13-10(8)16/h5-7H,1-4H2,(H,12,13,16)(H2,17,18,19)/t7-/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HGPRT expressed in Escherichia coli Sphi606 cells by spectrophotometric analysis


Eur J Med Chem 67: 81-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.032
More data for this
Ligand-Target Pair
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