Found 169 hits with Last Name = 'jayaram' and Initial = 'hn' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Inosine-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM50338536
(CHEMBL1683637 | [({[(2S,3R,4S,5S)-5-(6-amino-2-eth...)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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM19263
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | -51.4 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
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 | |
Alcohol dehydrogenase E/S chain
(Equus caballus) | BDBM50368629
(CHEMBL2368671)Show SMILES NC(=O)c1cncc(c1)[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 |r| Show InChI InChI=1S/C21H27N7O14P2/c22-18-12-20(26-6-25-18)28(7-27-12)21-16(32)14(30)11(41-21)5-39-44(36,37)42-43(34,35)38-4-10-13(29)15(31)17(40-10)8-1-9(19(23)33)3-24-2-8/h1-3,6-7,10-11,13-17,21,29-32H,4-5H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,25,26)/t10-,11+,13-,14+,15-,16+,17+,21+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cornell University
Curated by ChEMBL
| Assay Description
Inhibition of horse liver alcohol dehydrogenase enzyme by Non-competitive inhibition |
J Med Chem 36: 1855-9 (1993)
BindingDB Entry DOI: 10.7270/Q2X63NM4 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM50338539
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM19264
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)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+ | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
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PC cid
PC sid
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| DrugBank
PDB
Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Inosine-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM19257
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | -46.5 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
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-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19264
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)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+ | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
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PC cid
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| DrugBank
PDB
Article
PubMed
| 7 | -46.5 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
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 Structure (crystal) |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19264
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)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+ | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
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CHEMBL
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PC cid
PC sid
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| DrugBank
PDB
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q29S1RS4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Inosine-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM19261
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | -45.7 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
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-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19264
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)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+ | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
DrugBank
MCE
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PC cid
PC sid
PDB
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| DrugBank
PDB
Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Inhibition of human IMPDH2 |
Bioorg Med Chem 16: 9340-5 (2008)
Article DOI: 10.1016/j.bmc.2008.08.062
BindingDB Entry DOI: 10.7270/Q2K937BH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19264
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
Inosine-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM50338537
(CHEMBL1683638 | Tiazofurin-5'-yl-2-ethyladenosin-5...)Show SMILES CCc1nc(N)c2ncn([C@H]3O[C@@H](COP(O)(=O)C(F)(F)P(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 |r| Show InChI InChI=1S/C22H29F2N7O13P2S/c1-2-10-29-17(25)11-19(30-10)31(6-27-11)21-15(35)13(33)9(44-21)4-42-46(39,40)22(23,24)45(37,38)41-3-8-12(32)14(34)16(43-8)20-28-7(5-47-20)18(26)36/h5-6,8-9,12-16,21,32-35H,2-4H2,1H3,(H2,26,36)(H,37,38)(H,39,40)(H2,25,29,30)/t8-,9+,12-,13+,14-,15+,16-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM19263
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | -44.8 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
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
(Homo sapiens (Human)) | BDBM50338536
(CHEMBL1683637 | [({[(2S,3R,4S,5S)-5-(6-amino-2-eth...)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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM50338538
(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 |r| 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-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM19267
(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 |r| 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 | PDB
MMDB
Reactome pathway
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UniChem
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| Article
PubMed
| 16 | -44.5 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM19255
(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 |r| 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 | PDB
MMDB
Reactome pathway
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PubMed
| 19 | -44.1 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM19256
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 20 | -43.9 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM50338541
(((((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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 1
(Homo sapiens (Human)) | BDBM50192467
(CHEMBL384114 | P1-[7-hydroxy-6-(ethyl-2-yl)-5-meth...)Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)OCP(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)3-4-39-44(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?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50369348
(CHEMBL606286)Show SMILES NC(=O)c1c[se]c(n1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2Se/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 | PDB
MMDB
Reactome pathway
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition towards IMP(Inosine 5'-monophosphate) substrate of Inosine-5'-monophosphate dehydrogenase 2 |
J Med Chem 41: 1702-7 (1998)
Article DOI: 10.1021/jm970772e
BindingDB Entry DOI: 10.7270/Q23J3DNP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50241447
((2R,3R,4S,5R)-2-(6-(furan-2-ylmethylamino)-9H-puri...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccco3)ncnc12 |r| Show InChI InChI=1S/C15H17N5O5/c21-5-9-11(22)12(23)15(25-9)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-24-8/h1-3,6-7,9,11-12,15,21-23H,4-5H2,(H,16,17,18)/t9-,11-,12-,15-/m1/s1 | PDB
Reactome pathway
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Camerino
Curated by ChEMBL
| Assay Description
Inhibition of human adenosine A3 receptor |
J Med Chem 51: 4260-9 (2008)
Article DOI: 10.1021/jm800205c
BindingDB Entry DOI: 10.7270/Q2MG7P90 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50338539
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50369348
(CHEMBL606286)Show SMILES NC(=O)c1c[se]c(n1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2Se/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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition towards NMD (Nicotinamide adenine dinucleotide) substrate of Inosine-5'-monophosphate dehydrogenase 2 |
J Med Chem 41: 1702-7 (1998)
Article DOI: 10.1021/jm970772e
BindingDB Entry DOI: 10.7270/Q23J3DNP |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19257
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
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PubMed
| 27 | -43.2 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
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
(Homo sapiens (Human)) | BDBM50338537
(CHEMBL1683638 | Tiazofurin-5'-yl-2-ethyladenosin-5...)Show SMILES CCc1nc(N)c2ncn([C@H]3O[C@@H](COP(O)(=O)C(F)(F)P(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 |r| Show InChI InChI=1S/C22H29F2N7O13P2S/c1-2-10-29-17(25)11-19(30-10)31(6-27-11)21-15(35)13(33)9(44-21)4-42-46(39,40)22(23,24)45(37,38)41-3-8-12(32)14(34)16(43-8)20-28-7(5-47-20)18(26)36/h5-6,8-9,12-16,21,32-35H,2-4H2,1H3,(H2,26,36)(H,37,38)(H,39,40)(H2,25,29,30)/t8-,9+,12-,13+,14-,15+,16-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50228085
(CHEMBL238461 | N-hydroxy-6-(4-hydroxy-6-methoxy-7-...)Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)NO Show InChI InChI=1S/C17H21NO6/c1-9(5-7-13(19)18-22)4-6-11-15(20)14-12(8-24-17(14)21)10(2)16(11)23-3/h4,20,22H,5-8H2,1-3H3,(H,18,19)/b9-4+ | PDB
MMDB
Reactome pathway
KEGG
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM50369348
(CHEMBL606286)Show SMILES NC(=O)c1c[se]c(n1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2Se/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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition towards IMP(Inosine 5'-monophosphate) substrate of Inosine-5'-monophosphate dehydrogenase 1 |
J Med Chem 41: 1702-7 (1998)
Article DOI: 10.1021/jm970772e
BindingDB Entry DOI: 10.7270/Q23J3DNP |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM19264
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)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+ | PDB
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Article
PubMed
| 33 | -42.7 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM19264
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)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+ | PDB
MMDB
Reactome pathway
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CHEMBL
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Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50338553
(6-(-4-((1-(((2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl...)Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CNCc1cn(C[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)nn1 |r| Show InChI InChI=1S/C28H33N9O7/c1-13(4-5-16-21(38)19-17(10-43-28(19)41)14(2)24(16)42-3)6-30-7-15-8-36(35-34-15)9-18-22(39)23(40)27(44-18)37-12-33-20-25(29)31-11-32-26(20)37/h4,8,11-12,18,22-23,27,30,38-40H,5-7,9-10H2,1-3H3,(H2,29,31,32)/b13-4+/t18-,22-,23-,27-/m0/s1 | PDB
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50192467
(CHEMBL384114 | P1-[7-hydroxy-6-(ethyl-2-yl)-5-meth...)Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)OCP(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)3-4-39-44(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?/m0/s1 | PDB
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50338541
(((((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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50338538
(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 |r| 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-/m0/s1 | PDB
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19267
(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 |r| 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 | PDB
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| 38 | -42.4 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
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 Structure (docked) |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50338550
(CHEMBL1683752 | Mycophenolic ethylenephosphonate-5...)Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C24H30N5O10PS/c1-11-13-7-37-24(33)15(13)17(30)12(20(11)36-2)3-4-38-40(34,35)5-6-41-8-14-18(31)19(32)23(39-14)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)(H2,25,26,27)/t14-,18-,19-,23-/m0/s1 | PDB
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM19264
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)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+ | PDB
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Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Inhibition of human IMPDH1 |
Bioorg Med Chem 16: 9340-5 (2008)
Article DOI: 10.1016/j.bmc.2008.08.062
BindingDB Entry DOI: 10.7270/Q2K937BH |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM19264
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)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+ | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM19264
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)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+ | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q29S1RS4 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50241166
((2R,3R,4S,5R)-2-(6-(benzylamino)-9H-purin-9-yl)-5-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1 | PDB
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| 41.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Camerino
Curated by ChEMBL
| Assay Description
Inhibition of human adenosine A3 receptor |
J Med Chem 51: 4260-9 (2008)
Article DOI: 10.1021/jm800205c
BindingDB Entry DOI: 10.7270/Q2MG7P90 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50338552
(6-(-4-(4-((((2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl...)Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CNCn1cc(OC[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)nn1 |r| Show InChI InChI=1S/C28H33N9O8/c1-13(4-5-15-21(38)19-16(8-44-28(19)41)14(2)24(15)42-3)6-30-11-36-7-18(34-35-36)43-9-17-22(39)23(40)27(45-17)37-12-33-20-25(29)31-10-32-26(20)37/h4,7,10,12,17,22-23,27,30,38-40H,5-6,8-9,11H2,1-3H3,(H2,29,31,32)/b13-4+/t17-,22-,23-,27-/m0/s1 | PDB
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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM19258
(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 |r| 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 | PDB
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| 45 | -41.9 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM19259
(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 |r| 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 | PDB
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| 45 | -41.9 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
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-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19261
(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 |r| 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 | PDB
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| 49 | -41.7 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
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
(Homo sapiens (Human)) | BDBM50192469
(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 | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50338540
(((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 |r| 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 | PDB
MMDB
Reactome pathway
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PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50241446
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(thiophen-2-y...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccs3)ncnc12 |r| Show InChI InChI=1S/C15H17N5O4S/c21-5-9-11(22)12(23)15(24-9)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-25-8/h1-3,6-7,9,11-12,15,21-23H,4-5H2,(H,16,17,18)/t9-,11-,12-,15-/m1/s1 | PDB
Reactome pathway
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PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Camerino
Curated by ChEMBL
| Assay Description
Inhibition of human adenosine A3 receptor |
J Med Chem 51: 4260-9 (2008)
Article DOI: 10.1021/jm800205c
BindingDB Entry DOI: 10.7270/Q2MG7P90 |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM50369348
(CHEMBL606286)Show SMILES NC(=O)c1c[se]c(n1)C1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H25N7O14P2Se/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 | PDB
MMDB
Reactome pathway
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PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition towards NMD (Nicotinamide adenine dinucleotide) substrate of Inosine-5'-monophosphate dehydrogenase 1 |
J Med Chem 41: 1702-7 (1998)
Article DOI: 10.1021/jm970772e
BindingDB Entry DOI: 10.7270/Q23J3DNP |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM19266
(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 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PubMed
| 66 | -41.0 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM50338552
(6-(-4-(4-((((2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl...)Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CNCn1cc(OC[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)nn1 |r| Show InChI InChI=1S/C28H33N9O8/c1-13(4-5-15-21(38)19-16(8-44-28(19)41)14(2)24(15)42-3)6-30-11-36-7-18(34-35-36)43-9-17-22(39)23(40)27(45-17)37-12-33-20-25(29)31-10-32-26(20)37/h4,7,10,12,17,22-23,27,30,38-40H,5-6,8-9,11H2,1-3H3,(H2,29,31,32)/b13-4+/t17-,22-,23-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
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