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12 similar compounds to monomer 50192467

Compile data set for download or QSAR
Wt: 645.4
BDBM19265
Wt: 721.5
BDBM19266
Wt: 673.5
BDBM19267
Wt: 661.4
BDBM50192469
Wt: 661.4
BDBM50338540
Wt: 661.4
BDBM50338541
Wt: 659.4
BDBM50338542
Wt: 687.5
BDBM50338543
Wt: 673.5
BDBM50338538
Wt: 709.4
BDBM50338539
Wt: 713.5
BDBM50370187
Wt: 713.5
BDBM50369419

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 19265,19266,19267,50192469,50338540,50338541,50338542,50338543,50338538,50338539,50370187,50369419   
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))
BDBM50338539
PNG
(CHEMBL1683640 | Mycophenolic 2-ethyladenosin-5'-yl...)
Show SMILES CCc1nc(N)c2ncn([C@H]3O[C@@H](COP(O)(=O)C(F)(F)P(O)(=O)OCCc4c(O)c5C(=O)OCc5c(C)c4OC)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1/C25H31F2N5O13P2/c1-4-14-30-21(28)16-22(31-14)32(9-29-16)23-19(35)18(34)13(45-23)8-44-47(39,40)25(26,27)46(37,38)43-6-5-11-17(33)15-12(7-42-24(15)36)10(2)20(11)41-3/h9,13,18-19,23,33-35H,4-8H2,1-3H3,(H,37,38)(H,39,40)(H2,28,30,31)/t13-,18-,19-,23-/s2
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5n/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 Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50338538
PNG
(CHEMBL1683639 | {[(2S,3R,4S,5S)-5-(6-Amino-2-ethyl...)
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=1/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-/s2
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16n/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 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=1/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-/s2
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16 -10.6n/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 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))
BDBM50338541
PNG
(((((2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dih...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)OCP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C23H29N5O14P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-44(35,36)41-9-43(33,34)40-6-13-17(30)18(31)22(42-13)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-/s2
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20n/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 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=1/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-/s2
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20n/an/an/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
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50338539
PNG
(CHEMBL1683640 | Mycophenolic 2-ethyladenosin-5'-yl...)
Show SMILES CCc1nc(N)c2ncn([C@H]3O[C@@H](COP(O)(=O)C(F)(F)P(O)(=O)OCCc4c(O)c5C(=O)OCc5c(C)c4OC)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1/C25H31F2N5O13P2/c1-4-14-30-21(28)16-22(31-14)32(9-29-16)23-19(35)18(34)13(45-23)8-44-47(39,40)25(26,27)46(37,38)43-6-5-11-17(33)15-12(7-42-24(15)36)10(2)20(11)41-3/h9,13,18-19,23,33-35H,4-8H2,1-3H3,(H,37,38)(H,39,40)(H2,28,30,31)/t13-,18-,19-,23-/s2
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24n/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
3D
3D Structure (docked)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50338541
PNG
(((((2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dih...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)OCP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C23H29N5O14P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-44(35,36)41-9-43(33,34)40-6-13-17(30)18(31)22(42-13)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-/s2
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37n/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
3D
3D Structure (docked)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50338538
PNG
(CHEMBL1683639 | {[(2S,3R,4S,5S)-5-(6-Amino-2-ethyl...)
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=1/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-/s2
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38n/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
3D
3D Structure (docked)
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=1/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-/s2
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38 -10.1n/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
3D
3D Structure (docked)
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=1/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-/s2
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40n/an/an/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
3D
3D Structure (docked)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50192469
PNG
(CHEMBL215311 | P1-(adenosin-5'-yl)methylenephospho...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)COP(O)(=O)OCC1OC([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C23H29N5O14P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-43(33,34)9-41-44(35,36)40-6-13-17(30)18(31)22(42-13)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?/m0/s1
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60n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 49: 5018-22 (2006)


Article DOI: 10.1021/jm060479r
BindingDB Entry DOI: 10.7270/Q2PZ58GZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50338540
PNG
(((2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)COP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C23H29N5O14P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-43(33,34)9-41-44(35,36)40-6-13-17(30)18(31)22(42-13)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-/s2
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60n/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
3D
3D Structure (docked)
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=1/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-/s2
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66 -9.79n/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=1/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-/s2
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70n/an/an/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
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50338543
PNG
(CHEMBL1683745 | Mycophenolic 2-ethyladenosin-5'-yl...)
Show SMILES CCc1nc(N)c2ncn([C@H]3O[C@@H](COP(O)(=O)CCP(O)(=O)OCCc4c(O)c5C(=O)OCc5c(C)c4OC)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1/C26H35N5O13P2/c1-4-16-29-23(27)18-24(30-16)31(11-28-18)25-21(34)20(33)15(44-25)10-43-46(38,39)8-7-45(36,37)42-6-5-13-19(32)17-14(9-41-26(17)35)12(2)22(13)40-3/h11,15,20-21,25,32-34H,4-10H2,1-3H3,(H,36,37)(H,38,39)(H2,27,29,30)/t15-,20-,21-,25-/s2
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73n/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 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50338542
PNG
(CHEMBL1683744 | Mycophenolic adenosin-5'-yl-ethyle...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CCP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C24H31N5O13P2/c1-11-13-7-39-24(33)15(13)17(30)12(20(11)38-2)3-4-40-43(34,35)5-6-44(36,37)41-8-14-18(31)19(32)23(42-14)29-10-28-16-21(25)26-9-27-22(16)29/h9-10,14,18-19,23,30-32H,3-8H2,1-2H3,(H,34,35)(H,36,37)(H2,25,26,27)/t14-,18-,19-,23-/s2
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84n/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
3D
3D Structure (docked)
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50192469
PNG
(CHEMBL215311 | P1-(adenosin-5'-yl)methylenephospho...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)COP(O)(=O)OCC1OC([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C23H29N5O14P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-43(33,34)9-41-44(35,36)40-6-13-17(30)18(31)22(42-13)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?/m0/s1
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87n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH1


J Med Chem 49: 5018-22 (2006)


Article DOI: 10.1021/jm060479r
BindingDB Entry DOI: 10.7270/Q2PZ58GZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50338540
PNG
(((2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)COP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C23H29N5O14P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-43(33,34)9-41-44(35,36)40-6-13-17(30)18(31)22(42-13)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-/s2
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87n/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 Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50338542
PNG
(CHEMBL1683744 | Mycophenolic adenosin-5'-yl-ethyle...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CCP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C24H31N5O13P2/c1-11-13-7-39-24(33)15(13)17(30)12(20(11)38-2)3-4-40-43(34,35)5-6-44(36,37)41-8-14-18(31)19(32)23(42-14)29-10-28-16-21(25)26-9-27-22(16)29/h9-10,14,18-19,23,30-32H,3-8H2,1-2H3,(H,34,35)(H,36,37)(H2,25,26,27)/t14-,18-,19-,23-/s2
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95n/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 Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50338543
PNG
(CHEMBL1683745 | Mycophenolic 2-ethyladenosin-5'-yl...)
Show SMILES CCc1nc(N)c2ncn([C@H]3O[C@@H](COP(O)(=O)CCP(O)(=O)OCCc4c(O)c5C(=O)OCc5c(C)c4OC)[C@H](O)[C@@H]3O)c2n1
Show InChI InChI=1/C26H35N5O13P2/c1-4-16-29-23(27)18-24(30-16)31(11-28-18)25-21(34)20(33)15(44-25)10-43-46(38,39)8-7-45(36,37)42-6-5-13-19(32)17-14(9-41-26(17)35)12(2)22(13)40-3/h11,15,20-21,25,32-34H,4-10H2,1-3H3,(H,36,37)(H,38,39)(H2,27,29,30)/t15-,20-,21-,25-/s2
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99n/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 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=1/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-/s2
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108 -9.50n/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))
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=1/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-/s2
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110n/an/an/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
3D
3D Structure (docked)
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=1/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-/s2
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250n/an/an/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
3D
3D Structure (crystal)
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=1/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-/s2
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250n/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
3D
3D Structure (crystal)
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=1/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-/s2
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250 -9.00n/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))
BDBM50370187
PNG
(CHEMBL608195)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(\C)CCCOP(O)(=O)CP(O)(=O)OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C28H37N5O13P2/c1-14(6-7-16-21(34)19-17(9-43-28(19)37)15(2)24(16)42-3)5-4-8-44-47(38,39)13-48(40,41)45-10-18-22(35)23(36)27(46-18)33-12-32-20-25(29)30-11-31-26(20)33/h6,11-12,18,22-23,27,34-36H,4-5,7-10,13H2,1-3H3,(H,38,39)(H,40,41)(H2,29,30,31)/b14-6-/t18-,22-,23-,27?/s2
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290n/an/an/an/an/an/an/an/a



Pharmasset Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II)


J Med Chem 45: 703-12 (2002)


Article DOI: 10.1021/jm0104116
BindingDB Entry DOI: 10.7270/Q29S1RS4
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50369419
PNG
(CHEMBL610421)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCCOP(O)(=O)CP(O)(=O)OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C28H37N5O13P2/c1-14(6-7-16-21(34)19-17(9-43-28(19)37)15(2)24(16)42-3)5-4-8-44-47(38,39)13-48(40,41)45-10-18-22(35)23(36)27(46-18)33-12-32-20-25(29)30-11-31-26(20)33/h6,11-12,18,22-23,27,34-36H,4-5,7-10,13H2,1-3H3,(H,38,39)(H,40,41)(H2,29,30,31)/b14-6+/t18-,22-,23-,27?/s2
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300n/an/an/an/an/an/an/an/a



Codon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II isoform)


J Med Chem 41: 618-22 (1998)


Article DOI: 10.1021/jm970705k
BindingDB Entry DOI: 10.7270/Q20C4WGZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50370187
PNG
(CHEMBL608195)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(\C)CCCOP(O)(=O)CP(O)(=O)OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1/C28H37N5O13P2/c1-14(6-7-16-21(34)19-17(9-43-28(19)37)15(2)24(16)42-3)5-4-8-44-47(38,39)13-48(40,41)45-10-18-22(35)23(36)27(46-18)33-12-32-20-25(29)30-11-31-26(20)33/h6,11-12,18,22-23,27,34-36H,4-5,7-10,13H2,1-3H3,(H,38,39)(H,40,41)(H2,29,30,31)/b14-6-/t18-,22-,23-,27?/s2
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330n/an/an/an/an/an/an/an/a



Pharmasset Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I)


J Med Chem 45: 703-12 (2002)


Article DOI: 10.1021/jm0104116
BindingDB Entry DOI: 10.7270/Q29S1RS4
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=1/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-/s2
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330n/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 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=1/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-/s2
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Article
PubMed
330n/an/an/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
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=1/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-/s2
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Article
PubMed
330 -8.84n/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