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Compile Data Set for Download or QSAR

Found 18 hits of ph data with Target = 'Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)'   
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
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM19263
PNG
(Tiazofurin Adenine Dinucleotide (TAD) Analogue, 33...)
Show SMILES CCc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)c4nc(cs4)C(N)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C21H29N7O14P2S/c1-2-10-26-17(22)11-19(27-10)28(6-24-11)21-15(32)13(30)9(41-21)4-39-44(36,37)42-43(34,35)38-3-8-12(29)14(31)16(40-8)20-25-7(5-45-20)18(23)33/h5-6,8-9,12-16,21,29-32H,2-4H2,1H3,(H2,23,33)(H,34,35)(H,36,37)(H2,22,26,27)/t8-,9-,12-,13-,14-,15-,16-,21-/m1/s1
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1 -51.4n/an/an/an/an/a8.025



University of Minnesota at Twin Citiies



Assay Description
Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...


J Med Chem 50: 5743-5751 (2007)


Article DOI: 10.1021/jm070568j
BindingDB Entry DOI: 10.7270/Q2RX99CT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM19257
PNG
(Tiazofurin Adenine Dinucleotide (TAD) Analogue, 27...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(N)nc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H26N8O14P2S/c20-14-8-16(26-19(22)25-14)27(4-23-8)18-12(31)10(29)7(40-18)2-38-43(35,36)41-42(33,34)37-1-6-9(28)11(30)13(39-6)17-24-5(3-44-17)15(21)32/h3-4,6-7,9-13,18,28-31H,1-2H2,(H2,21,32)(H,33,34)(H,35,36)(H4,20,22,25,26)/t6-,7-,9-,10-,11-,12-,13-,18-/m1/s1
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7 -46.5n/an/an/an/an/a8.025



University of Minnesota at Twin Citiies



Assay Description
Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...


J Med Chem 50: 5743-5751 (2007)


Article DOI: 10.1021/jm070568j
BindingDB Entry DOI: 10.7270/Q2RX99CT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM19261
PNG
(Tiazofurin Adenine Dinucleotide (TAD) Analogue, 31...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(nc23)C#C)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H25N7O14P2S/c1-2-10-26-17(22)11-19(27-10)28(6-24-11)21-15(32)13(30)9(41-21)4-39-44(36,37)42-43(34,35)38-3-8-12(29)14(31)16(40-8)20-25-7(5-45-20)18(23)33/h1,5-6,8-9,12-16,21,29-32H,3-4H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,26,27)/t8-,9-,12-,13-,14-,15-,16-,21-/m1/s1
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10 -45.7n/an/an/an/an/a8.025



University of Minnesota at Twin Citiies



Assay Description
Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...


J Med Chem 50: 5743-5751 (2007)


Article DOI: 10.1021/jm070568j
BindingDB Entry DOI: 10.7270/Q2RX99CT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM19267
PNG
(CHEMBL392204 | Mycophenolic Adenine Dinucleotide (...)
Show SMILES CCc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)CP(O)(=O)OCCc4c(O)c5C(=O)OCc5c(C)c4OC)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C25H33N5O13P2/c1-4-15-28-22(26)17-23(29-15)30(9-27-17)24-20(33)19(32)14(43-24)8-42-45(37,38)10-44(35,36)41-6-5-12-18(31)16-13(7-40-25(16)34)11(2)21(12)39-3/h9,14,19-20,24,31-33H,4-8,10H2,1-3H3,(H,35,36)(H,37,38)(H2,26,28,29)/t14-,19-,20-,24-/m1/s1
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16 -44.5n/an/an/an/an/a8.025



University of Minnesota at Twin Citiies



Assay Description
Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...


J Med Chem 50: 5743-5751 (2007)


Article DOI: 10.1021/jm070568j
BindingDB Entry DOI: 10.7270/Q2RX99CT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM19255
PNG
(Tiazofurin Adenine Dinucleotide (TAD) Analogue, 25...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(I)nc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H24IN7O14P2S/c20-19-25-14(21)8-16(26-19)27(4-23-8)18-12(31)10(29)7(40-18)2-38-43(35,36)41-42(33,34)37-1-6-9(28)11(30)13(39-6)17-24-5(3-44-17)15(22)32/h3-4,6-7,9-13,18,28-31H,1-2H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,25,26)/t6-,7-,9-,10-,11-,12-,13-,18-/m1/s1
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19 -44.1n/an/an/an/an/a8.025



University of Minnesota at Twin Citiies



Assay Description
Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...


J Med Chem 50: 5743-5751 (2007)


Article DOI: 10.1021/jm070568j
BindingDB Entry DOI: 10.7270/Q2RX99CT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM19256
PNG
(Tiazofurin Adenine Dinucleotide (TAD) Analogue, 26...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(nc23)-c2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C25H29N7O14P2S/c26-20-14-23(31-22(30-20)10-4-2-1-3-5-10)32(9-28-14)25-18(36)16(34)13(45-25)7-43-48(40,41)46-47(38,39)42-6-12-15(33)17(35)19(44-12)24-29-11(8-49-24)21(27)37/h1-5,8-9,12-13,15-19,25,33-36H,6-7H2,(H2,27,37)(H,38,39)(H,40,41)(H2,26,30,31)/t12-,13-,15-,16-,17-,18-,19-,25-/m1/s1
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20 -43.9n/an/an/an/an/a8.025



University of Minnesota at Twin Citiies



Assay Description
Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...


J Med Chem 50: 5743-5751 (2007)


Article DOI: 10.1021/jm070568j
BindingDB Entry DOI: 10.7270/Q2RX99CT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM19264
PNG
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
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33 -42.7n/an/an/an/an/a8.025



University of Minnesota at Twin Citiies



Assay Description
Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...


J Med Chem 50: 5743-5751 (2007)


Article DOI: 10.1021/jm070568j
BindingDB Entry DOI: 10.7270/Q2RX99CT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM19258
PNG
(Tiazofurin Adenine Dinucleotide (TAD) Analogue, 28...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(Nc4ccccc4)nc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C25H30N8O14P2S/c26-20-14-22(32-25(31-20)29-10-4-2-1-3-5-10)33(9-28-14)24-18(37)16(35)13(46-24)7-44-49(41,42)47-48(39,40)43-6-12-15(34)17(36)19(45-12)23-30-11(8-50-23)21(27)38/h1-5,8-9,12-13,15-19,24,34-37H,6-7H2,(H2,27,38)(H,39,40)(H,41,42)(H3,26,29,31,32)/t12-,13-,15-,16-,17-,18-,19-,24-/m1/s1
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45 -41.9n/an/an/an/an/a8.025



University of Minnesota at Twin Citiies



Assay Description
Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...


J Med Chem 50: 5743-5751 (2007)


Article DOI: 10.1021/jm070568j
BindingDB Entry DOI: 10.7270/Q2RX99CT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM19259
PNG
(Tiazofurin Adenine Dinucleotide (TAD) Analogue, 29...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(NCc4ccccc4)nc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C26H32N8O14P2S/c27-21-15-23(33-26(32-21)29-6-11-4-2-1-3-5-11)34(10-30-15)25-19(38)17(36)14(47-25)8-45-50(42,43)48-49(40,41)44-7-13-16(35)18(37)20(46-13)24-31-12(9-51-24)22(28)39/h1-5,9-10,13-14,16-20,25,35-38H,6-8H2,(H2,28,39)(H,40,41)(H,42,43)(H3,27,29,32,33)/t13-,14-,16-,17-,18-,19-,20-,25-/m1/s1
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45 -41.9n/an/an/an/an/a8.025



University of Minnesota at Twin Citiies



Assay Description
Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...


J Med Chem 50: 5743-5751 (2007)


Article DOI: 10.1021/jm070568j
BindingDB Entry DOI: 10.7270/Q2RX99CT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM19266
PNG
(CHEMBL410745 | Mycophenolic Adenine Dinucleotide (...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1ccccc1
Show InChI InChI=1S/C29H33N5O13P2/c1-14-17-10-44-29(38)19(17)21(35)16(24(14)43-2)8-9-45-48(39,40)13-49(41,42)46-11-18-22(36)23(37)28(47-18)34-12-31-20-25(30)32-26(33-27(20)34)15-6-4-3-5-7-15/h3-7,12,18,22-23,28,35-37H,8-11,13H2,1-2H3,(H,39,40)(H,41,42)(H2,30,32,33)/t18-,22-,23-,28-/m1/s1
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66 -41.0n/an/an/an/an/a8.025



University of Minnesota at Twin Citiies



Assay Description
Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...


J Med Chem 50: 5743-5751 (2007)


Article DOI: 10.1021/jm070568j
BindingDB Entry DOI: 10.7270/Q2RX99CT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM19260
PNG
(Tiazofurin Adenine Dinucleotide (TAD) Analogue, 30...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(NCCc4ccccc4)nc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C27H34N8O14P2S/c28-22-16-24(34-27(33-22)30-7-6-12-4-2-1-3-5-12)35(11-31-16)26-20(39)18(37)15(48-26)9-46-51(43,44)49-50(41,42)45-8-14-17(36)19(38)21(47-14)25-32-13(10-52-25)23(29)40/h1-5,10-11,14-15,17-21,26,36-39H,6-9H2,(H2,29,40)(H,41,42)(H,43,44)(H3,28,30,33,34)/t14-,15-,17-,18-,19-,20-,21-,26-/m1/s1
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73 -40.7n/an/an/an/an/a8.025



University of Minnesota at Twin Citiies



Assay Description
Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...


J Med Chem 50: 5743-5751 (2007)


Article DOI: 10.1021/jm070568j
BindingDB Entry DOI: 10.7270/Q2RX99CT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM19262
PNG
(Tiazofurin Adenine Dinucleotide (TAD) Analogue, 32...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(C=C)nc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H27N7O14P2S/c1-2-10-26-17(22)11-19(27-10)28(6-24-11)21-15(32)13(30)9(41-21)4-39-44(36,37)42-43(34,35)38-3-8-12(29)14(31)16(40-8)20-25-7(5-45-20)18(23)33/h2,5-6,8-9,12-16,21,29-32H,1,3-4H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,26,27)/t8-,9-,12-,13-,14-,15-,16-,21-/m1/s1
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96 -40.1n/an/an/an/an/a8.025



University of Minnesota at Twin Citiies



Assay Description
Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...


J Med Chem 50: 5743-5751 (2007)


Article DOI: 10.1021/jm070568j
BindingDB Entry DOI: 10.7270/Q2RX99CT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM19253
PNG
(CHEMBL394276 | NSC 358285 | Tiazofurin Adenine Din...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1
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110 -39.7n/an/an/an/an/a8.025



University of Minnesota at Twin Citiies



Assay Description
Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...


J Med Chem 50: 5743-5751 (2007)


Article DOI: 10.1021/jm070568j
BindingDB Entry DOI: 10.7270/Q2RX99CT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM19265
PNG
(C2-Mycophenolic Adenine Dinucleotide (C2-MDA) | CH...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C23H29N5O13P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-42(33,34)9-43(35,36)40-6-13-17(30)18(31)22(41-13)28-8-27-15-20(24)25-7-26-21(15)28/h7-8,13,17-18,22,29-31H,3-6,9H2,1-2H3,(H,33,34)(H,35,36)(H2,24,25,26)/t13-,17-,18-,22-/m1/s1
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330 -37.0n/an/an/an/an/a8.025



University of Minnesota at Twin Citiies



Assay Description
Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...


J Med Chem 50: 5743-5751 (2007)


Article DOI: 10.1021/jm070568j
BindingDB Entry DOI: 10.7270/Q2RX99CT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM81329
PNG
(N-[(Z)-N-(pyridin-3-yl)carboximidoyl]-2,3-dihydro-...)
Show SMILES O=C(N\C=N/c1cccnc1)C1COc2ccccc2O1
Show InChI InChI=1S/C15H13N3O3/c19-15(18-10-17-11-4-3-7-16-8-11)14-9-20-12-5-1-2-6-13(12)21-14/h1-8,10,14H,9H2,(H,17,18,19)
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n/an/a>5.00E+5n/an/an/an/a8.025



Brandeis University



Assay Description
Enzyme inhibition assay using recombinant human IMPDH1 and IMPDH2 and C.parvum were expressed in guaB strains of escherichia coli.


Chem Biol 15: 70-7 (2008)


Article DOI: 10.1016/j.chembiol.2007.12.010
BindingDB Entry DOI: 10.7270/Q2T1524X
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM50294184
PNG
(CHEMBL561640 | N-(4-chlorophenyl)-2-phenoxypropana...)
Show SMILES CC(Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClNO2/c1-11(19-14-5-3-2-4-6-14)15(18)17-13-9-7-12(16)8-10-13/h2-11H,1H3,(H,17,18)
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n/an/a>5.00E+4n/an/an/an/a8.025



Brandeis University



Assay Description
Enzyme inhibition assay using recombinant human IMPDH1 and IMPDH2 and C.parvum were expressed in guaB strains of escherichia coli.


Chem Biol 15: 70-7 (2008)


Article DOI: 10.1016/j.chembiol.2007.12.010
BindingDB Entry DOI: 10.7270/Q2T1524X
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM81327
PNG
(Tetrahydroquinoxalin analog, J)
Show SMILES O=c1[nH]c2ccc(Oc3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2[nH]c1=O
Show InChI InChI=1S/C16H6N4O5/c21-13-15(23)19-11-5-7(1-3-9(11)17-13)25-8-2-4-10-12(6-8)20-16(24)14(22)18-10/h1-6H
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n/an/a>5.00E+4n/an/an/an/a8.025



Brandeis University



Assay Description
Enzyme inhibition assay using recombinant human IMPDH1 and IMPDH2 and C.parvum were expressed in guaB strains of escherichia coli.


Chem Biol 15: 70-7 (2008)


Article DOI: 10.1016/j.chembiol.2007.12.010
BindingDB Entry DOI: 10.7270/Q2T1524X
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (human))
BDBM81328
PNG
(methyl 3-methyl-2-oxo-1,2-dihydroquinoline-4-carbo...)
Show SMILES COC(=O)c1c(C)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C12H11NO3/c1-7-10(12(15)16-2)8-5-3-4-6-9(8)13-11(7)14/h3-6H,1-2H3,(H,13,14)
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n/an/a>2.50E+4n/an/an/an/a8.025



Brandeis University



Assay Description
Enzyme inhibition assay using recombinant human IMPDH1 and IMPDH2 and C.parvum were expressed in guaB strains of escherichia coli.


Chem Biol 15: 70-7 (2008)


Article DOI: 10.1016/j.chembiol.2007.12.010
BindingDB Entry DOI: 10.7270/Q2T1524X
More data for this
Ligand-Target Pair