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PubMed code 22725979

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Homo sapiens (Human))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
BDBM50392251
PNG
(CHEMBL2153490)
Show SMILES OP(O)(=O)CCN(CCC#N)CCn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C12H17N6O4P/c13-2-1-3-17(6-7-23(20,21)22)4-5-18-9-16-10-11(18)14-8-15-12(10)19/h8-9H,1,3-7H2,(H,14,15,19)(H2,20,21,22)
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2.40E+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))
BDBM50392247
PNG
(CHEMBL2153486)
Show SMILES CCOC(=O)CN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C13H20N5O6P/c1-2-24-10(19)7-17(5-6-25(21,22)23)3-4-18-9-16-11-12(18)14-8-15-13(11)20/h8-9H,2-7H2,1H3,(H,14,15,20)(H2,21,22,23)
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2.60E+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))
BDBM50392245
PNG
(CHEMBL2153498)
Show SMILES Nc1nc2n(CCNCCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H15N6O4P/c10-9-13-7-6(8(16)14-9)12-5-15(7)3-1-11-2-4-20(17,18)19/h5,11H,1-4H2,(H2,17,18,19)(H3,10,13,14,16)
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3.00E+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))
BDBM50392257
PNG
(CHEMBL2153496)
Show SMILES OP(O)(=O)CCN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C11H19N5O7P2/c17-11-9-10(12-7-13-11)16(8-14-9)2-1-15(3-5-24(18,19)20)4-6-25(21,22)23/h7-8H,1-6H2,(H,12,13,17)(H2,18,19,20)(H2,21,22,23)
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3.00E+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))
BDBM50392256
PNG
(CHEMBL2153494)
Show SMILES OC(=O)CCCN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C13H20N5O6P/c19-10(20)2-1-3-17(6-7-25(22,23)24)4-5-18-9-16-11-12(18)14-8-15-13(11)21/h8-9H,1-7H2,(H,19,20)(H,14,15,21)(H2,22,23,24)
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5.40E+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))
BDBM50392253
PNG
(CHEMBL2153495)
Show SMILES OCCN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C11H18N5O5P/c17-5-3-15(4-6-22(19,20)21)1-2-16-8-14-9-10(16)12-7-13-11(9)18/h7-8,17H,1-6H2,(H,12,13,18)(H2,19,20,21)
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5.50E+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))
BDBM50392249
PNG
(CHEMBL2153488)
Show SMILES COC(=O)CCCN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C14H22N5O6P/c1-25-11(20)3-2-4-18(7-8-26(22,23)24)5-6-19-10-17-12-13(19)15-9-16-14(12)21/h9-10H,2-8H2,1H3,(H,15,16,21)(H2,22,23,24)
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2.20E+4n/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))
BDBM50392252
PNG
(CHEMBL2153491)
Show SMILES OP(O)(=O)CCN(CCCC#N)CCn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C13H19N6O4P/c14-3-1-2-4-18(7-8-24(21,22)23)5-6-19-10-17-11-12(19)15-9-16-13(11)20/h9-10H,1-2,4-8H2,(H,15,16,20)(H2,21,22,23)
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2.90E+4n/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))
BDBM50392254
PNG
(CHEMBL2153492)
Show SMILES OC(=O)CN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C11H16N5O6P/c17-8(18)5-15(3-4-23(20,21)22)1-2-16-7-14-9-10(16)12-6-13-11(9)19/h6-7H,1-5H2,(H,17,18)(H,12,13,19)(H2,20,21,22)
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3.20E+4n/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))
BDBM50392250
PNG
(CHEMBL2153489)
Show SMILES OP(O)(=O)CCN(CCn1cnc2c1nc[nH]c2=O)CC#N
Show InChI InChI=1S/C11H15N6O4P/c12-1-2-16(5-6-22(19,20)21)3-4-17-8-15-9-10(17)13-7-14-11(9)18/h7-8H,2-6H2,(H,13,14,18)(H2,19,20,21)
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3.50E+4n/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))
BDBM50392246
PNG
(CHEMBL2153499)
Show SMILES OP(O)(=O)CCNCCn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C9H14N5O4P/c15-9-7-8(11-5-12-9)14(6-13-7)3-1-10-2-4-19(16,17)18/h5-6,10H,1-4H2,(H,11,12,15)(H2,16,17,18)
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4.00E+4n/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))
BDBM50392248
PNG
(CHEMBL2153487)
Show SMILES COC(=O)CCN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C13H20N5O6P/c1-24-10(19)2-3-17(6-7-25(21,22)23)4-5-18-9-16-11-12(18)14-8-15-13(11)20/h8-9H,2-7H2,1H3,(H,14,15,20)(H2,21,22,23)
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>2.00E+5n/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))
BDBM50392255
PNG
(CHEMBL2153493)
Show SMILES OC(=O)CCN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C12H18N5O6P/c18-9(19)1-2-16(5-6-24(21,22)23)3-4-17-8-15-10-11(17)13-7-14-12(10)20/h7-8H,1-6H2,(H,18,19)(H,13,14,20)(H2,21,22,23)
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>2.40E+5n/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
* indicates data uncertainty>20%