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22 similar compounds to monomer 19263

Compile data set for download or QSAR
Wt: 788.6
BDBM19260
Wt: 693.4
BDBM19261
Wt: 695.4
BDBM19262
Wt: 669.4
BDBM19253
Wt: 795.3
BDBM19255
Wt: 745.5
BDBM19256
Wt: 684.4
BDBM19257
Wt: 760.5
BDBM19258
Wt: 774.5
BDBM19259
Wt: 667.4
BDBM50019477
Wt: 667.4
BDBM50019476
Wt: 671.4
BDBM50454610
Wt: 665.6
BDBM50263242
Wt: 557.6
BDBM50295363
Wt: 630.5
BDBM50338549
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 19260,19261,19262,19253,19255,19256,19257,19258,19259,50019477,50019476,50454610,50263242,50295363,50338549   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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 -11.1n/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))
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 -10.9n/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))
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 -10.5n/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))
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 -10.5n/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 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 -10.3n/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 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 -10.0n/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))
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 -10.0n/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 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 -9.97n/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 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 -9.73n/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 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 -9.65n/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 -9.58n/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 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 -9.57n/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 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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100n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 2


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
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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100n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 1


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
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 -9.49n/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 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 -9.49n/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 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 -9.33n/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 -9.29n/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 -9.23n/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))
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 -8.99n/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-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50019476
PNG
(CHEMBL3144396 | CHEMBL48277 | alpha-methylene-Thia...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](CCP(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/C20H27N7O13P2S/c21-16-10-18(24-5-23-16)27(6-25-10)20-14(31)12(29)9(39-20)3-37-42(35,36)40-41(33,34)2-1-8-11(28)13(30)15(38-8)19-26-7(4-43-19)17(22)32/h4-6,8-9,11-15,20,28-31H,1-3H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)
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1.97E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive


J Med Chem 29: 1726-31 (1986)


Article DOI: 10.1021/jm00159a027
BindingDB Entry DOI: 10.7270/Q2348MK1
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50338549
PNG
(CHEMBL1683751 | Tiazofurin-5'-yl-(adenosine-5'-N-a...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)CC(=O)NC[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H27N8O11PS/c22-17-11-19(26-5-25-17)29(6-27-11)21-15(34)12(31)8(40-21)1-24-10(30)3-41(36,37)38-2-9-13(32)14(33)16(39-9)20-28-7(4-42-20)18(23)35/h4-6,8-9,12-16,21,31-34H,1-3H2,(H2,23,35)(H,24,30)(H,36,37)(H2,22,25,26)/t8-,9+,12-,13+,14+,15-,16+,21-/m0/s1
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6.60E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 by Spectrophotometer


Bioorg Med Chem 19: 1594-605 (2011)


Article DOI: 10.1016/j.bmc.2011.01.042
BindingDB Entry DOI: 10.7270/Q21G0MKT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50338549
PNG
(CHEMBL1683751 | Tiazofurin-5'-yl-(adenosine-5'-N-a...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)CC(=O)NC[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C21H27N8O11PS/c22-17-11-19(26-5-25-17)29(6-27-11)21-15(34)12(31)8(40-21)1-24-10(30)3-41(36,37)38-2-9-13(32)14(33)16(39-9)20-28-7(4-42-20)18(23)35/h4-6,8-9,12-16,21,31-34H,1-3H2,(H2,23,35)(H,24,30)(H,36,37)(H2,22,25,26)/t8-,9+,12-,13+,14+,15-,16+,21-/m0/s1
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1.42E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH1 by Spectrophotometry


Bioorg Med Chem 19: 1594-605 (2011)


Article DOI: 10.1016/j.bmc.2011.01.042
BindingDB Entry DOI: 10.7270/Q21G0MKT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50019477
PNG
(CHEMBL3144394 | CHEMBL49226 | gama-methylene-Thiaz...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)CC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H27N7O13P2S/c21-16-10-18(24-5-23-16)27(6-25-10)20-14(31)11(28)8(39-20)1-2-41(33,34)40-42(35,36)37-3-9-12(29)13(30)15(38-9)19-26-7(4-43-19)17(22)32/h4-6,8-9,11-15,20,28-31H,1-3H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)
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1.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive


J Med Chem 29: 1726-31 (1986)


Article DOI: 10.1021/jm00159a027
BindingDB Entry DOI: 10.7270/Q2348MK1
More data for this
Ligand-Target Pair
NAD kinase


(Homo sapiens (Human))
BDBM50295363
PNG
((tiazofurin-5'-yl)(adenosin-5'-yl)disulfide | CHEM...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](CSSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N7O7S3/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(33-19)3-36-35-2-7-10(27)12(29)14(32-7)18-25-6(1-34-18)16(21)31/h1,4-5,7-8,10-14,19,27-30H,2-3H2,(H2,21,31)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human NAD kinase by modified HPLC based assay


Bioorg Med Chem 17: 5656-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.013
BindingDB Entry DOI: 10.7270/Q2T153N2
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50454610
PNG
(CHEMBL2092769)
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](F)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H24FN7O13P2S/c20-9-11(28)7(39-19(9)27-5-25-10-15(21)23-4-24-17(10)27)1-36-41(32,33)40-42(34,35)37-2-8-12(29)13(30)14(38-8)18-26-6(3-43-18)16(22)31/h3-5,7-9,11-14,19,28-30H,1-2H2,(H2,22,31)(H,32,33)(H,34,35)(H2,21,23,24)/t7-,8+,9-,11-,12+,13+,14+,19-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Codon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The compound was assayed to determine the inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2


J Med Chem 40: 2533-8 (1997)


Article DOI: 10.1021/jm970247f
BindingDB Entry DOI: 10.7270/Q2H41S4B
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50263242
PNG
(2-{(2R,3R,4S,5R)-5-[({[(2R,3S,4R,5R)-5-(6-Amino-pu...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](CNS(=O)(=O)CS(=O)(=O)NC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H27N9O11S3/c21-16-10-18(24-4-23-16)29(5-25-10)20-14(33)12(31)9(40-20)2-27-43(37,38)6-42(35,36)26-1-8-11(30)13(32)15(39-8)19-28-7(3-41-19)17(22)34/h3-5,8-9,11-15,20,26-27,30-33H,1-2,6H2,(H2,22,34)(H2,21,23,24)/t8-,9-,11-,12-,13-,14-,15-,20-/m1/s1
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n/an/a 1.88E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMP dehydrogenase 2


Bioorg Med Chem 16: 7462-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.003
BindingDB Entry DOI: 10.7270/Q25D8RPD
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50263242
PNG
(2-{(2R,3R,4S,5R)-5-[({[(2R,3S,4R,5R)-5-(6-Amino-pu...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](CNS(=O)(=O)CS(=O)(=O)NC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H27N9O11S3/c21-16-10-18(24-4-23-16)29(5-25-10)20-14(33)12(31)9(40-20)2-27-43(37,38)6-42(35,36)26-1-8-11(30)13(32)15(39-8)19-28-7(3-41-19)17(22)34/h3-5,8-9,11-15,20,26-27,30-33H,1-2,6H2,(H2,22,34)(H2,21,23,24)/t8-,9-,11-,12-,13-,14-,15-,20-/m1/s1
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.36E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMP dehydrogenase 1


Bioorg Med Chem 16: 7462-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.003
BindingDB Entry DOI: 10.7270/Q25D8RPD
More data for this
Ligand-Target Pair
Inorganic polyphosphate/ATP-NAD kinase


(Mycobacterium tuberculosis)
BDBM50295363
PNG
((tiazofurin-5'-yl)(adenosin-5'-yl)disulfide | CHEM...)
Show SMILES NC(=O)c1csc(n1)[C@@H]1O[C@H](CSSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C19H23N7O7S3/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(33-19)3-36-35-2-7-10(27)12(29)14(32-7)18-25-6(1-34-18)16(21)31/h1,4-5,7-8,10-14,19,27-30H,2-3H2,(H2,21,31)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assay


Bioorg Med Chem 17: 5656-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.013
BindingDB Entry DOI: 10.7270/Q2T153N2
More data for this
Ligand-Target Pair