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Compile Data Set for Download or QSAR

Found 170 hits Enz. Inhib. hit(s) with Target = 'Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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))
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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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US Patent
70n/an/an/an/an/an/an/an/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


Citation and Details
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


Citation and Details
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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US Patent
70n/an/an/an/an/an/an/an/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))
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


Citation and Details
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


Citation and Details
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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US Patent
100n/an/an/an/an/an/an/an/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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US Patent
100n/an/an/an/an/an/an/an/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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US Patent
100n/an/an/an/an/an/an/an/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))
BDBM50439836
PNG
(CHEMBL2420072)
Show SMILES Nc1nc2n(C[C@@H](CF)OCCP(O)(O)=O)cnc2c(=O)[nH]1
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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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US Patent
150n/an/an/an/an/an/an/an/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))
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


Citation and Details
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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US Patent
200n/an/an/an/an/an/an/an/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


Citation and Details
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


Citation and Details
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


Citation and Details
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
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...


Citation and Details
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
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 -38.1n/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...


Citation and Details
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


Citation and Details
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
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...


Citation and Details
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


Citation and Details
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)


Citation and Details
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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US Patent
500n/an/an/an/an/an/an/an/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))
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


Citation and Details
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


Citation and Details
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


Citation and Details
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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US Patent
600n/an/an/an/an/an/an/an/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


Citation and Details
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)


Citation and Details
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


Citation and Details
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


Citation and Details
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/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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


Citation and Details
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/an/an/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))
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


Citation and Details
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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US Patent
1.40E+3n/an/an/an/an/an/an/an/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
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


Citation and Details
More data for this
Ligand-Target Pair
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