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Compile Data Set for Download or QSAR

Found 93 hits of ph data with Target = 'Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)'   
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 2 (IMPDH2)


(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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Article
PubMed
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 2 (33 and 66 nM) and varying concentrations of i...


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
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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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14 -44.8n/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 2 (33 and 66 nM) and varying concentrations of i...


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 2 (IMPDH2)


(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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27 -43.2n/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 2 (33 and 66 nM) and varying concentrations of i...


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 2 (IMPDH2)


(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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38 -42.4n/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 2 (33 and 66 nM) and varying concentrations of i...


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
3D
3D Structure (docked)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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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49 -41.7n/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 2 (33 and 66 nM) and varying concentrations of i...


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 2 (IMPDH2)


(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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84 -40.4n/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 2 (33 and 66 nM) and varying concentrations of i...


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 2 (IMPDH2)


(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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94 -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 2 (33 and 66 nM) and varying concentrations of i...


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 2 (IMPDH2)


(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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108 -39.8n/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 2 (33 and 66 nM) and varying concentrations of i...


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
3D
3D Structure (docked)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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 2 (33 and 66 nM) and varying concentrations of i...


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 2 (IMPDH2)


(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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143 -39.1n/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 2 (33 and 66 nM) and varying concentrations of i...


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 2 (IMPDH2)


(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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153 -38.9n/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 2 (33 and 66 nM) and varying concentrations of i...


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 2 (IMPDH2)


(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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169 -38.7n/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 2 (33 and 66 nM) and varying concentrations of i...


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 2 (IMPDH2)


(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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250 -37.7n/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 2 (33 and 66 nM) and varying concentrations of i...


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
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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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255 -37.6n/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 2 (33 and 66 nM) and varying concentrations of i...


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 2 (IMPDH2)


(Homo sapiens (human))
BDBM19268
PNG
(Acridone-Based Inhibitor, 3 | ethyl 9-oxo-9,10-dih...)
Show SMILES CCOC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O
Show InChI InChI=1S/C16H13NO3/c1-2-20-16(19)10-7-8-12-14(9-10)17-13-6-4-3-5-11(13)15(12)18/h3-9H,2H2,1H3,(H,17,18)
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n/an/a 59n/a>1.00E+4n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19269
PNG
(Acridone-Based Inhibitor, 8a | N-tert-butyl-9-oxo-...)
Show SMILES CC(C)(C)NC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O
Show InChI InChI=1S/C18H18N2O2/c1-18(2,3)20-17(22)11-8-9-13-15(10-11)19-14-7-5-4-6-12(14)16(13)21/h4-10H,1-3H3,(H,19,21)(H,20,22)
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n/an/a 59n/a 3.30E+3n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19270
PNG
(9-oxo-N-(2-phenylpropan-2-yl)-9,10-dihydroacridine...)
Show SMILES CC(C)(NC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O)c1ccccc1
Show InChI InChI=1S/C23H20N2O2/c1-23(2,16-8-4-3-5-9-16)25-22(27)15-12-13-18-20(14-15)24-19-11-7-6-10-17(19)21(18)26/h3-14H,1-2H3,(H,24,26)(H,25,27)
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n/an/a 19n/a 2.10E+3n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19271
PNG
(Acridone-Based Inhibitor, 8c | N-benzyl-9-oxo-9,10...)
Show SMILES O=C(NCc1ccccc1)c1ccc2c(c1)[nH]c1ccccc1c2=O
Show InChI InChI=1S/C21H16N2O2/c24-20-16-8-4-5-9-18(16)23-19-12-15(10-11-17(19)20)21(25)22-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,25)(H,23,24)
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n/an/a 2.20E+3n/an/an/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19272
PNG
(9-oxo-N-[(1R)-1-phenylethyl]-9,10-dihydroacridine-...)
Show SMILES C[C@@H](NC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O)c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c1-14(15-7-3-2-4-8-15)23-22(26)16-11-12-18-20(13-16)24-19-10-6-5-9-17(19)21(18)25/h2-14H,1H3,(H,23,26)(H,24,25)/t14-/m1/s1
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n/an/a 95n/an/an/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19273
PNG
(9-oxo-N-[(1S)-1-phenylethyl]-9,10-dihydroacridine-...)
Show SMILES C[C@H](NC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O)c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c1-14(15-7-3-2-4-8-15)23-22(26)16-11-12-18-20(13-16)24-19-10-6-5-9-17(19)21(18)25/h2-14H,1H3,(H,23,26)(H,24,25)/t14-/m0/s1
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n/an/a 431n/an/an/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19274
PNG
(9-oxo-N-[2-(pyridin-2-yl)propan-2-yl]-9,10-dihydro...)
Show SMILES CC(C)(NC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O)c1ccccn1
Show InChI InChI=1S/C22H19N3O2/c1-22(2,19-9-5-6-12-23-19)25-21(27)14-10-11-16-18(13-14)24-17-8-4-3-7-15(17)20(16)26/h3-13H,1-2H3,(H,24,26)(H,25,27)
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n/an/a 53n/a 2.20E+3n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19275
PNG
(9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydro...)
Show SMILES CC(C)(NC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O)c1cccnc1
Show InChI InChI=1S/C22H19N3O2/c1-22(2,15-6-5-11-23-13-15)25-21(27)14-9-10-17-19(12-14)24-18-8-4-3-7-16(18)20(17)26/h3-13H,1-2H3,(H,24,26)(H,25,27)
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n/an/a 42n/a 2.20E+3n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19276
PNG
(9-oxo-N-[2-(pyridin-4-yl)propan-2-yl]-9,10-dihydro...)
Show SMILES CC(C)(NC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O)c1ccncc1
Show InChI InChI=1S/C22H19N3O2/c1-22(2,15-9-11-23-12-10-15)25-21(27)14-7-8-17-19(13-14)24-18-6-4-3-5-16(18)20(17)26/h3-13H,1-2H3,(H,24,26)(H,25,27)
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n/an/a 53n/a 2.30E+3n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19277
PNG
(2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-9,10-dihydr...)
Show SMILES CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccccc1
Show InChI InChI=1S/C23H19FN2O2/c1-23(2,14-8-4-3-5-9-14)26-22(28)16-13-20-17(12-18(16)24)21(27)15-10-6-7-11-19(15)25-20/h3-13H,1-2H3,(H,25,27)(H,26,28)
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n/an/a 11n/a 830n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19278
PNG
(2-fluoro-9-oxo-N-[2-(pyridin-2-yl)propan-2-yl]-9,1...)
Show SMILES CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccccn1
Show InChI InChI=1S/C22H18FN3O2/c1-22(2,19-9-5-6-10-24-19)26-21(28)14-12-18-15(11-16(14)23)20(27)13-7-3-4-8-17(13)25-18/h3-12H,1-2H3,(H,25,27)(H,26,28)
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n/an/a 29n/a 1.00E+3n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19279
PNG
(2-fluoro-9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,1...)
Show SMILES CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cccnc1
Show InChI InChI=1S/C22H18FN3O2/c1-22(2,13-6-5-9-24-12-13)26-21(28)15-11-19-16(10-17(15)23)20(27)14-7-3-4-8-18(14)25-19/h3-12H,1-2H3,(H,25,27)(H,26,28)
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n/an/a 11n/a 420n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19280
PNG
(Acridone-Based Inhibitor, 4d | N-(2-{4-[2-(dimethy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
Show InChI InChI=1S/C27H28FN3O3/c1-27(2,17-9-11-18(12-10-17)34-14-13-31(3)4)30-26(33)20-16-24-21(15-22(20)28)25(32)19-7-5-6-8-23(19)29-24/h5-12,15-16H,13-14H2,1-4H3,(H,29,32)(H,30,33)
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n/an/a 20n/a 560n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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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n/an/a 16n/a 540n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19281
PNG
(2-fluoro-N-[2-(4-methanesulfonylphenyl)propan-2-yl...)
Show SMILES CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H21FN2O4S/c1-24(2,14-8-10-15(11-9-14)32(3,30)31)27-23(29)17-13-21-18(12-19(17)25)22(28)16-6-4-5-7-20(16)26-21/h4-13H,1-3H3,(H,26,28)(H,27,29)
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n/an/a 12n/a 480n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19282
PNG
(2-fluoro-N-[2-(3-methanesulfonylphenyl)propan-2-yl...)
Show SMILES CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C24H21FN2O4S/c1-24(2,14-7-6-8-15(11-14)32(3,30)31)27-23(29)17-13-21-18(12-19(17)25)22(28)16-9-4-5-10-20(16)26-21/h4-13H,1-3H3,(H,26,28)(H,27,29)
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n/an/a 12n/a 580n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19283
PNG
(Acridone-Based Inhibitor, 4g | N-{2-[4-(dimethylsu...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
Show InChI InChI=1S/C25H24FN3O4S/c1-25(2,15-9-11-16(12-10-15)34(32,33)29(3)4)28-24(31)18-14-22-19(13-20(18)26)23(30)17-7-5-6-8-21(17)27-22/h5-14H,1-4H3,(H,27,30)(H,28,31)
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n/an/a 10n/a 660n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19284
PNG
(Acridone-Based Inhibitor, 4h | N-{2-[3-(dimethylsu...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
Show InChI InChI=1S/C25H24FN3O4S/c1-25(2,15-8-7-9-16(12-15)34(32,33)29(3)4)28-24(31)18-14-22-19(13-20(18)26)23(30)17-10-5-6-11-21(17)27-22/h5-14H,1-4H3,(H,27,30)(H,28,31)
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n/an/a 7.90n/a 380n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19285
PNG
(2-fluoro-9-oxo-N-(2-{2H,3H,4H-pyrido[3,2-b][1,4]ox...)
Show SMILES CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cnc2NCCOc2c1
Show InChI InChI=1S/C24H21FN4O3/c1-24(2,13-9-20-22(27-12-13)26-7-8-32-20)29-23(31)15-11-19-16(10-17(15)25)21(30)14-5-3-4-6-18(14)28-19/h3-6,9-12H,7-8H2,1-2H3,(H,26,27)(H,28,30)(H,29,31)
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n/an/a 17n/a 920n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19286
PNG
(2-fluoro-N-[2-(6-methylpyridin-3-yl)propan-2-yl]-9...)
Show SMILES Cc1ccc(cn1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
Show InChI InChI=1S/C23H20FN3O2/c1-13-8-9-14(12-25-13)23(2,3)27-22(29)16-11-20-17(10-18(16)24)21(28)15-6-4-5-7-19(15)26-20/h4-12H,1-3H3,(H,26,28)(H,27,29)
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n/an/a 23n/a 750n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19287
PNG
(Acridone-Based Inhibitor, 4k | N-{2-[6-(dimethylam...)
Show SMILES CN(C)c1ccc(cn1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
Show InChI InChI=1S/C24H23FN4O2/c1-24(2,14-9-10-21(26-13-14)29(3)4)28-23(31)16-12-20-17(11-18(16)25)22(30)15-7-5-6-8-19(15)27-20/h5-13H,1-4H3,(H,27,30)(H,28,31)
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n/an/a 22n/a 850n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19288
PNG
(Acridone-Based Inhibitor, 4l | N-{2-[2-(dimethylam...)
Show SMILES CN(C)c1cc(ccn1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
Show InChI InChI=1S/C24H23FN4O2/c1-24(2,14-9-10-26-21(11-14)29(3)4)28-23(31)16-13-20-17(12-18(16)25)22(30)15-7-5-6-8-19(15)27-20/h5-13H,1-4H3,(H,27,30)(H,28,31)
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n/an/a 14n/a 640n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19289
PNG
(Acridone-Based Inhibitor, 4m | BMS-566419 | N-{2-[...)
Show SMILES CCN1CCN(CC1)c1ccc(cn1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
Show InChI InChI=1S/C28H30FN5O2/c1-4-33-11-13-34(14-12-33)25-10-9-18(17-30-25)28(2,3)32-27(36)20-16-24-21(15-22(20)29)26(35)19-7-5-6-8-23(19)31-24/h5-10,15-17H,4,11-14H2,1-3H3,(H,31,35)(H,32,36)
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n/an/a 17n/a 770n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19290
PNG
(2-fluoro-N-{2-[6-(morpholin-4-yl)pyridin-3-yl]prop...)
Show SMILES CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C26H25FN4O3/c1-26(2,16-7-8-23(28-15-16)31-9-11-34-12-10-31)30-25(33)18-14-22-19(13-20(18)27)24(32)17-5-3-4-6-21(17)29-22/h3-8,13-15H,9-12H2,1-2H3,(H,29,32)(H,30,33)
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n/an/a 20n/a 660n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19291
PNG
(2-fluoro-N-{2-[5-methoxy-6-(morpholin-4-yl)pyridin...)
Show SMILES COc1cc(cnc1N1CCOCC1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
Show InChI InChI=1S/C27H27FN4O4/c1-27(2,16-12-23(35-3)25(29-15-16)32-8-10-36-11-9-32)31-26(34)18-14-22-19(13-20(18)28)24(33)17-6-4-5-7-21(17)30-22/h4-7,12-15H,8-11H2,1-3H3,(H,30,33)(H,31,34)
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n/an/a 20n/a 810n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM19292
PNG
(2-fluoro-N-{2-[5-methyl-6-(morpholin-4-yl)pyridin-...)
Show SMILES Cc1cc(cnc1N1CCOCC1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
Show InChI InChI=1S/C27H27FN4O3/c1-16-12-17(15-29-25(16)32-8-10-35-11-9-32)27(2,3)31-26(34)19-14-23-20(13-21(19)28)24(33)18-6-4-5-7-22(18)30-23/h4-7,12-15H,8-11H2,1-3H3,(H,30,33)(H,31,34)
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n/an/a 11n/a 870n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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 2 (IMPDH2)


(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 2 (IMPDH2)


(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
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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 2 (IMPDH2)


(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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n/an/a 130n/an/an/an/a8.037



Nycomed



Assay Description
The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...


J Enzyme Inhib Med Chem 29: 408-19 (2014)


Article DOI: 10.3109/14756366.2013.793184
BindingDB Entry DOI: 10.7270/Q28P5ZDV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248094
PNG
(VX-497 (2))
Show SMILES COc1cc(NC(=O)Nc2cccc(CNC(=O)OC3CCOC3)c2)ccc1-c1cnco1
Show InChI InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)
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n/an/a 3.5n/an/an/an/a8.037



Nycomed



Assay Description
The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...


J Enzyme Inhib Med Chem 29: 408-19 (2014)


Article DOI: 10.3109/14756366.2013.793184
BindingDB Entry DOI: 10.7270/Q28P5ZDV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248095
PNG
(VX-148 (3))
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(C#N)c(OC)c2)c1
Show InChI InChI=1S/C23H25N5O4/c1-4-20(10-11-24)32-23(30)26-15(2)16-6-5-7-18(12-16)27-22(29)28-19-9-8-17(14-25)21(13-19)31-3/h5-9,12-13,15,20H,4,10H2,1-3H3,(H,26,30)(H2,27,28,29)/t15-,20?/m0/s1
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n/an/a 380n/an/an/an/a8.037



Nycomed



Assay Description
The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...


J Enzyme Inhib Med Chem 29: 408-19 (2014)


Article DOI: 10.3109/14756366.2013.793184
BindingDB Entry DOI: 10.7270/Q28P5ZDV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248096
PNG
(IMPDH II inhibitor, 13)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C23H28N4O5/c1-5-19(11-12-24)32-23(29)25-15(2)16-7-6-8-17(13-16)26-22(28)27-18-9-10-20(30-3)21(14-18)31-4/h6-10,13-15,19H,5,11H2,1-4H3,(H,25,29)(H2,26,27,28)/t15-,19?/m0/s1
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n/an/a 230n/an/an/an/a8.037



Nycomed



Assay Description
The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...


J Enzyme Inhib Med Chem 29: 408-19 (2014)


Article DOI: 10.3109/14756366.2013.793184
BindingDB Entry DOI: 10.7270/Q28P5ZDV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248097
PNG
(IMPDH II inhibitor, 14)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(C)c(OC)c2)c1
Show InChI InChI=1S/C23H28N4O4/c1-5-20(11-12-24)31-23(29)25-16(3)17-7-6-8-18(13-17)26-22(28)27-19-10-9-15(2)21(14-19)30-4/h6-10,13-14,16,20H,5,11H2,1-4H3,(H,25,29)(H2,26,27,28)/t16-,20?/m0/s1
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n/an/a 1.90E+4n/an/an/an/a8.037



Nycomed



Assay Description
The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...


J Enzyme Inhib Med Chem 29: 408-19 (2014)


Article DOI: 10.3109/14756366.2013.793184
BindingDB Entry DOI: 10.7270/Q28P5ZDV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248098
PNG
(IMPDH II inhibitor, 15)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(N3CCOCC3)c(OC)c2)c1
Show InChI InChI=1S/C26H33N5O5/c1-4-22(10-11-27)36-26(33)28-18(2)19-6-5-7-20(16-19)29-25(32)30-21-8-9-23(24(17-21)34-3)31-12-14-35-15-13-31/h5-9,16-18,22H,4,10,12-15H2,1-3H3,(H,28,33)(H2,29,30,32)/t18-,22?/m0/s1
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n/an/a<3.00E+4n/an/an/an/a8.037



Nycomed



Assay Description
The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...


J Enzyme Inhib Med Chem 29: 408-19 (2014)


Article DOI: 10.3109/14756366.2013.793184
BindingDB Entry DOI: 10.7270/Q28P5ZDV
More data for this
Ligand-Target Pair
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