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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'wenck' and Initial = 'ma'   
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))
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
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128867
PNG
(3,5-diphenyl-4'-methyl-2-nitrobiphenyl | CHEMBL875...)
Show SMILES Cc1ccc(cc1)-c1cc(cc(-c2ccccc2)c1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C25H19NO2/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(25(24)26(27)28)20-10-6-3-7-11-20/h2-17H,1H3
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2.00E+3n/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
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128866
PNG
(2-(2,4,7-Trinitro-fluoren-9-ylidene)-malononitrile...)
Show SMILES [#8-]-[#7+](=O)-c1ccc-2c(c1)\[#6](=[#6](/C#N)C#N)-c1cc(cc(c-21)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O
Show InChI InChI=1S/C16H5N5O6/c17-6-8(7-18)15-12-3-9(19(22)23)1-2-11(12)16-13(15)4-10(20(24)25)5-14(16)21(26)27/h1-5H
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2.20E+3n/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
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128872
PNG
(6-Fluoro-chrysene | CHEMBL83242)
Show SMILES Fc1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C18H11F/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
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2.80E+3n/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
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128866
PNG
(2-(2,4,7-Trinitro-fluoren-9-ylidene)-malononitrile...)
Show SMILES [#8-]-[#7+](=O)-c1ccc-2c(c1)\[#6](=[#6](/C#N)C#N)-c1cc(cc(c-21)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O
Show InChI InChI=1S/C16H5N5O6/c17-6-8(7-18)15-12-3-9(19(22)23)1-2-11(12)16-13(15)4-10(20(24)25)5-14(16)21(26)27/h1-5H
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5.40E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


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


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128865
PNG
(6-Nitro-chrysene | CHEMBL82858)
Show SMILES [O-][N+](=O)c1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C18H11NO2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H
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6.70E+3n/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
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128870
PNG
(CHEMBL85685 | chrysene)
Show SMILES c1ccc2c(c1)ccc1c3ccccc3ccc21
Show InChI InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
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8.98E+3n/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
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128867
PNG
(3,5-diphenyl-4'-methyl-2-nitrobiphenyl | CHEMBL875...)
Show SMILES Cc1ccc(cc1)-c1cc(cc(-c2ccccc2)c1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C25H19NO2/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(25(24)26(27)28)20-10-6-3-7-11-20/h2-17H,1H3
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1.09E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


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


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128868
PNG
(5-(2,4-Dichloro-phenoxy)-3-(2-fluoro-phenyl)-[1,2,...)
Show SMILES Fc1ccccc1-c1nnc2c3ccccc3nc(Oc3ccc(Cl)cc3Cl)n12
Show InChI InChI=1S/C21H11Cl2FN4O/c22-12-9-10-18(15(23)11-12)29-21-25-17-8-4-2-6-14(17)20-27-26-19(28(20)21)13-5-1-3-7-16(13)24/h1-11H
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1.18E+4n/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
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128867
PNG
(3,5-diphenyl-4'-methyl-2-nitrobiphenyl | CHEMBL875...)
Show SMILES Cc1ccc(cc1)-c1cc(cc(-c2ccccc2)c1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C25H19NO2/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(25(24)26(27)28)20-10-6-3-7-11-20/h2-17H,1H3
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1.39E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


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


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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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1.60E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


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


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Trypanosoma brucei brucei)
BDBM50150875
PNG
(hydrogen 2-(1,2-dihydropyridin-3-yl)-1-hydroxy-1-(...)
Show SMILES OC(CC1=CCC=NC1)(P(O)([O-])=O)P(O)([O-])=O |c:6,t:3|
Show InChI InChI=1S/C7H13NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h2-3,9H,1,4-5H2,(H2,10,11,12)(H2,13,14,15)/p-2
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2.32E+4n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of hypoxanthine-guanine phosphoribosyltransferase (TcHPRT)


Bioorg Med Chem Lett 14: 4501-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.042
BindingDB Entry DOI: 10.7270/Q2DJ5GDX
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(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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>2.50E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


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


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128868
PNG
(5-(2,4-Dichloro-phenoxy)-3-(2-fluoro-phenyl)-[1,2,...)
Show SMILES Fc1ccccc1-c1nnc2c3ccccc3nc(Oc3ccc(Cl)cc3Cl)n12
Show InChI InChI=1S/C21H11Cl2FN4O/c22-12-9-10-18(15(23)11-12)29-21-25-17-8-4-2-6-14(17)20-27-26-19(28(20)21)13-5-1-3-7-16(13)24/h1-11H
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2.88E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


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


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128868
PNG
(5-(2,4-Dichloro-phenoxy)-3-(2-fluoro-phenyl)-[1,2,...)
Show SMILES Fc1ccccc1-c1nnc2c3ccccc3nc(Oc3ccc(Cl)cc3Cl)n12
Show InChI InChI=1S/C21H11Cl2FN4O/c22-12-9-10-18(15(23)11-12)29-21-25-17-8-4-2-6-14(17)20-27-26-19(28(20)21)13-5-1-3-7-16(13)24/h1-11H
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4.81E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


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


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Trypanosoma brucei brucei)
BDBM12581
PNG
((3-amino-1-hydroxy-1-phosphonopropyl)phosphonic ac...)
Show SMILES NCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)
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5.06E+4n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of hypoxanthine-guanine phosphoribosyltransferase (TcHPRT)


Bioorg Med Chem Lett 14: 4501-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.042
BindingDB Entry DOI: 10.7270/Q2DJ5GDX
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Trypanosoma brucei brucei)
BDBM50150877
PNG
(hydrogen 3-(dimethylammonio)-1-hydroxy-1-(hydroxyp...)
Show SMILES C[NH+](C)CCC(O)(P(O)([O-])=O)P(O)([O-])=O
Show InChI InChI=1S/C5H15NO7P2/c1-6(2)4-3-5(7,14(8,9)10)15(11,12)13/h7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13)/p-1
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1.26E+5n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of hypoxanthine-guanine phosphoribosyltransferase (TcHPRT)


Bioorg Med Chem Lett 14: 4501-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.042
BindingDB Entry DOI: 10.7270/Q2DJ5GDX
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Trypanosoma brucei brucei)
BDBM25313
PNG
((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Show SMILES NCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)
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1.89E+5n/an/an/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of hypoxanthine-guanine phosphoribosyltransferase (TcHPRT)


Bioorg Med Chem Lett 14: 4501-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.042
BindingDB Entry DOI: 10.7270/Q2DJ5GDX
More data for this
Ligand-Target Pair