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Compile Data Set for Download or QSAR

Found 254 hits with Last Name = 'janeba' and Initial = 'z'   
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


(Homo sapiens (Human))
BDBM50603703
PNG
(CHEMBL5184028)
Show SMILES O[C@H](COC1CN(C[C@H]1n1cnc2c1nc[nH]c2=O)C(=O)CCP([O-])([O-])=O)P([O-])([O-])=O |r|
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1.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01881
BindingDB Entry DOI: 10.7270/Q25X2F0M
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50603704
PNG
(CHEMBL5207635)
Show SMILES Nc1nc2n(C[C@@H](COCCOP([O-])([O-])=O)COCP([O-])([O-])=O)cnc2c(=O)[nH]1 |r|
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6n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01881
BindingDB Entry DOI: 10.7270/Q25X2F0M
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50258940
PNG
(CHEMBL4086362)
Show SMILES [Na+].[Na+].[Na+].[Na+].Nc1nc2n(CC(COCCP([O-])([O-])=O)COCP([O-])([O-])=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C12H21N5O9P2.4Na/c13-12-15-10-9(11(18)16-12)14-6-17(10)3-8(5-26-7-28(22,23)24)4-25-1-2-27(19,20)21;;;;/h6,8H,1-5,7H2,(H2,19,20,21)(H2,22,23,24)(H3,13,15,16,18);;;;/q;4*+1/p-4
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6n/an/an/an/an/an/an/an/a



The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using PRib-PP as the substrate by spectrophotometric method


J Med Chem 60: 7539-7554 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00926
BindingDB Entry DOI: 10.7270/Q2J968T1
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2JH3NXV
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50603702
PNG
(CHEMBL5178774)
Show SMILES [O-]P([O-])(=O)CCOC1CN(C[C@H]1n1cnc2c1nc[nH]c2=O)C(=O)CCP([O-])([O-])=O |r|
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20n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01881
BindingDB Entry DOI: 10.7270/Q25X2F0M
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2MW2JGT
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2JH3NXV
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50603705
PNG
(CHEMBL5198761)
Show SMILES Nc1nc2n(CC(COCP([O-])([O-])=O)COCP([O-])([O-])=O)cnc2c(=O)[nH]1
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30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01881
BindingDB Entry DOI: 10.7270/Q25X2F0M
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2HM5B3V
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2JH3NXV
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2HM5B3V
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2JH3NXV
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2VX0HND
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2HM5B3V
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50603701
PNG
(CHEMBL5185227)
Show SMILES Nc1nc2n(C[C@@H](COCP([O-])([O-])=O)OC[C@@H](O)P([O-])([O-])=O)cnc2c(=O)[nH]1 |r|
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70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01881
BindingDB Entry DOI: 10.7270/Q25X2F0M
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2VX0HND
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2HM5B3V
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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


TBA

Assay Description
Inhibition of human HGPRT using PRib-PP as substrate by Hanes-plot based method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113416
BindingDB Entry DOI: 10.7270/Q2T43XWD
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50603700
PNG
(CHEMBL5171024)
Show SMILES Nc1nc2n(C[C@@H](COCP([O-])([O-])=O)OC[C@H](O)P([O-])([O-])=O)cnc2c(=O)[nH]1 |r|
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100n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01881
BindingDB Entry DOI: 10.7270/Q25X2F0M
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50603699
PNG
(CHEMBL5208021)
Show SMILES Nc1nc2n(C[C@@H](COCP([O-])([O-])=O)OCC(O)P([O-])([O-])=O)cnc2c(=O)[nH]1 |r|
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100n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01881
BindingDB Entry DOI: 10.7270/Q25X2F0M
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50258937
PNG
(CHEMBL4067618)
Show SMILES [Na+].[Na+].[Na+].[Na+].Nc1nc2n(CC(COCCP([O-])([O-])=O)COCP([O-])([O-])=O)ccc2c(=O)[nH]1
Show InChI InChI=1S/C13H22N4O9P2.4Na/c14-13-15-11-10(12(18)16-13)1-2-17(11)5-9(7-26-8-28(22,23)24)6-25-3-4-27(19,20)21;;;;/h1-2,9H,3-8H2,(H2,19,20,21)(H2,22,23,24)(H3,14,15,16,18);;;;/q;4*+1/p-4
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100n/an/an/an/an/an/an/an/a



The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using PRib-PP as the substrate by spectrophotometric method


J Med Chem 60: 7539-7554 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00926
BindingDB Entry DOI: 10.7270/Q2J968T1
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50258941
PNG
(CHEMBL4078513)
Show SMILES [Na+].[Na+].[Na+].[Na+].Nc1nc2n(CC(COCCP([O-])([O-])=O)COCP([O-])([O-])=O)c(Br)nc2c(=O)[nH]1
Show InChI InChI=1S/C12H20BrN5O9P2.4Na/c13-11-15-8-9(16-12(14)17-10(8)19)18(11)3-7(5-27-6-29(23,24)25)4-26-1-2-28(20,21)22;;;;/h7H,1-6H2,(H2,20,21,22)(H2,23,24,25)(H3,14,16,17,19);;;;/q;4*+1/p-4
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100n/an/an/an/an/an/an/an/a



The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using PRib-PP as the substrate by spectrophotometric method


J Med Chem 60: 7539-7554 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00926
BindingDB Entry DOI: 10.7270/Q2J968T1
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2VX0HND
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2VX0HND
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2VX0HND
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50268142
PNG
(CHEMBL4098313)
Show SMILES [Na+].[Na+].[Na+].[Na+].Nc1nc2n(CC(COCCP([O-])([O-])=O)COCCP([O-])([O-])=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C13H23N5O9P2/c14-13-16-11-10(12(19)17-13)15-8-18(11)5-9(6-26-1-3-28(20,21)22)7-27-2-4-29(23,24)25/h8-9H,1-7H2,(H2,20,21,22)(H2,23,24,25)(H3,14,16,17,19)/p-4
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100n/an/an/an/an/an/an/an/a



The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nám. 2, CZ-16610 Prague 6, Czech Republic.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-histidine-tagged human HGPRT using PRib-PP as substrate in presence of guanine by Hanes plot analysis


Bioorg Med Chem 25: 4008-4030 (2017)


Article DOI: 10.1016/j.bmc.2017.05.048
BindingDB Entry DOI: 10.7270/Q2NS0XCJ
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q20Z74Q0
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2VX0HND
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50569742
PNG
(CHEMBL4846343)
Show SMILES Nc1nc2n(CC3CN(CCP([O-])([O-])=O)CCN3CCP([O-])([O-])=O)cnc2c(=O)[nH]1
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150n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HGPRT using PRib-PP as substrate by Hanes-plot based method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113416
BindingDB Entry DOI: 10.7270/Q2T43XWD
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2HM5B3V
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50603687
PNG
(CHEMBL5186759)
Show SMILES Nc1nc2n(CCOCC(O)P([O-])([O-])=O)cnc2c(=O)[nH]1
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200n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01881
BindingDB Entry DOI: 10.7270/Q25X2F0M
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50504220
PNG
(CHEMBL4454497)
Show SMILES Nc1nc2n(CC[S+]([O-])CCP([O-])([O-])=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H14N5O5PS.2Na/c10-9-12-7-6(8(15)13-9)11-5-14(7)1-3-21(19)4-2-20(16,17)18;;/h5H,1-4H2,(H2,16,17,18)(H3,10,12,13,15);;/q;2*+1/p-2
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200n/an/an/an/an/an/an/an/a



The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using Prib-PP as substrate by Hanes-plot based method


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111667
BindingDB Entry DOI: 10.7270/Q2JS9TPT
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2VX0HND
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50268140
PNG
(CHEMBL4061954)
Show SMILES [Na+].[Na+].[Na+].[Na+].Nc1nc2n(CC(COCCP([O-])([O-])=O)COCCP([O-])([O-])=O)c(Br)nc2c(=O)[nH]1
Show InChI InChI=1S/C13H22BrN5O9P2/c14-12-16-9-10(17-13(15)18-11(9)20)19(12)5-8(6-27-1-3-29(21,22)23)7-28-2-4-30(24,25)26/h8H,1-7H2,(H2,21,22,23)(H2,24,25,26)(H3,15,17,18,20)/p-4
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250n/an/an/an/an/an/an/an/a



The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nám. 2, CZ-16610 Prague 6, Czech Republic.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-histidine-tagged human HGPRT using PRib-PP as substrate in presence of guanine by Hanes plot analysis


Bioorg Med Chem 25: 4008-4030 (2017)


Article DOI: 10.1016/j.bmc.2017.05.048
BindingDB Entry DOI: 10.7270/Q2NS0XCJ
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2HM5B3V
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50268154
PNG
(CHEMBL4090466)
Show SMILES [Na+].[Na+].[Na+].[Na+].Nc1nc2n(cnc2c(=O)[nH]1)C(COCCP([O-])([O-])=O)COCCP([O-])([O-])=O
Show InChI InChI=1S/C12H21N5O9P2/c13-12-15-10-9(11(18)16-12)14-7-17(10)8(5-25-1-3-27(19,20)21)6-26-2-4-28(22,23)24/h7-8H,1-6H2,(H2,19,20,21)(H2,22,23,24)(H3,13,15,16,18)/p-4
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300n/an/an/an/an/an/an/an/a



The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nám. 2, CZ-16610 Prague 6, Czech Republic.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-histidine-tagged human HGPRT using PRib-PP as substrate in presence of guanine by Hanes plot analysis


Bioorg Med Chem 25: 4008-4030 (2017)


Article DOI: 10.1016/j.bmc.2017.05.048
BindingDB Entry DOI: 10.7270/Q2NS0XCJ
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50603692
PNG
(CHEMBL5194527)
Show SMILES [O-]P([O-])(=O)CCCO[C@@H](COCP([O-])([O-])=O)Cn1cnc2c1nc[nH]c2=O |r|
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300n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01881
BindingDB Entry DOI: 10.7270/Q25X2F0M
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50603694
PNG
(CHEMBL5180101)
Show SMILES Nc1nc2n(C[C@H](COCP([O-])([O-])=O)OCCCP([O-])([O-])=O)cnc2c(=O)[nH]1 |r|
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400n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01881
BindingDB Entry DOI: 10.7270/Q25X2F0M
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50258942
PNG
(CHEMBL4064903)
Show SMILES [Na+].[Na+].[Na+].[Na+].Nc1nc2n(CC(COCCP([O-])([O-])=O)OCCP([O-])([O-])=O)c(Br)nc2c(=O)[nH]1
Show InChI InChI=1S/C12H20BrN5O9P2.4Na/c13-11-15-8-9(16-12(14)17-10(8)19)18(11)5-7(27-2-4-29(23,24)25)6-26-1-3-28(20,21)22;;;;/h7H,1-6H2,(H2,20,21,22)(H2,23,24,25)(H3,14,16,17,19);;;;/q;4*+1/p-4
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400n/an/an/an/an/an/an/an/a



The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using PRib-PP as the substrate by spectrophotometric method


J Med Chem 60: 7539-7554 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00926
BindingDB Entry DOI: 10.7270/Q2J968T1
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50603698
PNG
(CHEMBL5187896)
Show SMILES Nc1nc2n(C[C@H](COCP([O-])([O-])=O)OCC(O)P([O-])([O-])=O)cnc2c(=O)[nH]1 |r|
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400n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01881
BindingDB Entry DOI: 10.7270/Q25X2F0M
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50504218
PNG
(CHEMBL4437088)
Show SMILES Nc1nc2n(CCSCCP([O-])([O-])=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H14N5O4PS/c10-9-12-7-6(8(15)13-9)11-5-14(7)1-3-20-4-2-19(16,17)18/h5H,1-4H2,(H2,16,17,18)(H3,10,12,13,15)/p-2
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400n/an/an/an/an/an/an/an/a



The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using Prib-PP as substrate by Hanes-plot based method


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111667
BindingDB Entry DOI: 10.7270/Q2JS9TPT
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50569743
PNG
(CHEMBL4857499)
Show SMILES [O-]P([O-])(=O)CCN1CCN(CCP([O-])([O-])=O)C(Cn2cnc3c2nc[nH]c3=O)C1
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430n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HGPRT using PRib-PP as substrate by Hanes-plot based method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113416
BindingDB Entry DOI: 10.7270/Q2T43XWD
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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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PubMed
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
BindingDB Entry DOI: 10.7270/Q2JH3NXV
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50603695
PNG
(CHEMBL5180136)
Show SMILES Nc1nc2n(C[C@@H](COCP([O-])([O-])=O)OCCCP([O-])([O-])=O)cnc2c(=O)[nH]1 |r|
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PubMed
500n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01881
BindingDB Entry DOI: 10.7270/Q25X2F0M
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2VX0HND
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2MW2JGT
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2VX0HND
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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 Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using PRib-PP as the substrate by spectrophotometric method


J Med Chem 60: 7539-7554 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00926
BindingDB Entry DOI: 10.7270/Q2J968T1
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50111505
PNG
(CHEMBL3604955)
Show SMILES Nc1nc2n(CCN(CCP(O)(O)=O)CC(O)CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/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)


Article DOI: 10.1016/j.bmc.2015.07.038
BindingDB Entry DOI: 10.7270/Q2N58P4B
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50089443
PNG
(CHEMBL3578109)
Show SMILES OP(O)(=O)CCOCC(Cn1cnc2c1nc[nH]c2=O)OCCP(O)(O)=O
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700n/an/an/an/an/an/an/an/a



The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT using PRib-PP as the substrate by spectrophotometric method


J Med Chem 60: 7539-7554 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00926
BindingDB Entry DOI: 10.7270/Q2J968T1
More data for this
Ligand-Target Pair
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