Found 32 hits with Last Name = 'olesiak' and Initial = 'm' 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 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 AffyNet
| Purchase
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 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 Structure (crystal) |
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 KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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 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-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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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)) | 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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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 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 KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank 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 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-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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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 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 Structure (docked) |
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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article 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 |
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 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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article 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 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-5'-monophosphate dehydrogenase 1
(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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 87 | 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)) | 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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 110 | 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 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 Structure (docked) |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50263243
(CHEMBL446927 | N-(((2R,3S,4R,5R)-5-(6-amino-9H-pur...)Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCNS(=O)(=O)CS(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C23H29N7O11S2/c1-10-12-6-40-23(34)14(12)16(31)11(19(10)39-2)3-4-28-42(35,36)9-43(37,38)29-5-13-17(32)18(33)22(41-13)30-8-27-15-20(24)25-7-26-21(15)30/h7-8,13,17-18,22,28-29,31-33H,3-6,9H2,1-2H3,(H2,24,25,26)/t13-,17-,18-,22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 170 | 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 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-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50263245
(CHEMBL389392 | N-(((2R,3S,4R,5R)-5-(6-amino-2-ethy...)Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCNS(=O)(=O)CS(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C |r| Show InChI InChI=1S/C25H29N7O11S2/c1-4-15-30-22(26)17-23(31-15)32(9-27-17)24-20(35)19(34)14(43-24)7-29-45(39,40)10-44(37,38)28-6-5-12-18(33)16-13(8-42-25(16)36)11(2)21(12)41-3/h1,9,14,19-20,24,28-29,33-35H,5-8,10H2,2-3H3,(H2,26,30,31)/t14-,19-,20-,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 180 | 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 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-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM19265
(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 |r| Show InChI InChI=1S/C23H29N5O13P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-42(33,34)9-43(35,36)40-6-13-17(30)18(31)22(41-13)28-8-27-15-20(24)25-7-26-21(15)28/h7-8,13,17-18,22,29-31H,3-6,9H2,1-2H3,(H,33,34)(H,35,36)(H2,24,25,26)/t13-,17-,18-,22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 250 | 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 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 Structure (crystal) |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50263244
(CHEMBL510826 | N-(((2R,3S,4R,5R)-5-(6-amino-2-phen...)Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCNS(=O)(=O)CS(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1ccccc1 |r| Show InChI InChI=1S/C29H33N7O11S2/c1-14-17-11-46-29(40)19(17)21(37)16(24(14)45-2)8-9-32-48(41,42)13-49(43,44)33-10-18-22(38)23(39)28(47-18)36-12-31-20-25(30)34-26(35-27(20)36)15-6-4-3-5-7-15/h3-7,12,18,22-23,28,32-33,37-39H,8-11,13H2,1-2H3,(H2,30,34,35)/t18-,22-,23-,28-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 310 | 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 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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM19265
(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 |r| Show InChI InChI=1S/C23H29N5O13P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-42(33,34)9-43(35,36)40-6-13-17(30)18(31)22(41-13)28-8-27-15-20(24)25-7-26-21(15)28/h7-8,13,17-18,22,29-31H,3-6,9H2,1-2H3,(H,33,34)(H,35,36)(H2,24,25,26)/t13-,17-,18-,22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 330 | 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 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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM50263243
(CHEMBL446927 | N-(((2R,3S,4R,5R)-5-(6-amino-9H-pur...)Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCNS(=O)(=O)CS(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C23H29N7O11S2/c1-10-12-6-40-23(34)14(12)16(31)11(19(10)39-2)3-4-28-42(35,36)9-43(37,38)29-5-13-17(32)18(33)22(41-13)30-8-27-15-20(24)25-7-26-21(15)30/h7-8,13,17-18,22,28-29,31-33H,3-6,9H2,1-2H3,(H2,24,25,26)/t13-,17-,18-,22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 350 | 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 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-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50263246
(CHEMBL444916 | N-(((2R,3S,4R,5R)-5-(6-amino-2-ethy...)Show SMILES CCc1nc(N)c2ncn([C@@H]3O[C@H](CNS(=O)(=O)CS(=O)(=O)NCCc4c(O)c5C(=O)OCc5c(C)c4OC)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C25H33N7O11S2/c1-4-15-30-22(26)17-23(31-15)32(9-27-17)24-20(35)19(34)14(43-24)7-29-45(39,40)10-44(37,38)28-6-5-12-18(33)16-13(8-42-25(16)36)11(2)21(12)41-3/h9,14,19-20,24,28-29,33-35H,4-8,10H2,1-3H3,(H2,26,30,31)/t14-,19-,20-,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 440 | 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 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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM50263245
(CHEMBL389392 | N-(((2R,3S,4R,5R)-5-(6-amino-2-ethy...)Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCNS(=O)(=O)CS(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#C |r| Show InChI InChI=1S/C25H29N7O11S2/c1-4-15-30-22(26)17-23(31-15)32(9-27-17)24-20(35)19(34)14(43-24)7-29-45(39,40)10-44(37,38)28-6-5-12-18(33)16-13(8-42-25(16)36)11(2)21(12)41-3/h1,9,14,19-20,24,28-29,33-35H,5-8,10H2,2-3H3,(H2,26,30,31)/t14-,19-,20-,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 520 | 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 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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM50263244
(CHEMBL510826 | N-(((2R,3S,4R,5R)-5-(6-amino-2-phen...)Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCNS(=O)(=O)CS(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1ccccc1 |r| Show InChI InChI=1S/C29H33N7O11S2/c1-14-17-11-46-29(40)19(17)21(37)16(24(14)45-2)8-9-32-48(41,42)13-49(43,44)33-10-18-22(38)23(39)28(47-18)36-12-31-20-25(30)34-26(35-27(20)36)15-6-4-3-5-7-15/h3-7,12,18,22-23,28,32-33,37-39H,8-11,13H2,1-2H3,(H2,30,34,35)/t18-,22-,23-,28-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 660 | 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 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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM50263246
(CHEMBL444916 | N-(((2R,3S,4R,5R)-5-(6-amino-2-ethy...)Show SMILES CCc1nc(N)c2ncn([C@@H]3O[C@H](CNS(=O)(=O)CS(=O)(=O)NCCc4c(O)c5C(=O)OCc5c(C)c4OC)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C25H33N7O11S2/c1-4-15-30-22(26)17-23(31-15)32(9-27-17)24-20(35)19(34)14(43-24)7-29-45(39,40)10-44(37,38)28-6-5-12-18(33)16-13(8-42-25(16)36)11(2)21(12)41-3/h9,14,19-20,24,28-29,33-35H,4-8,10H2,1-3H3,(H2,26,30,31)/t14-,19-,20-,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 820 | 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 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-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50263248
(7-hydroxy-6-(2-hydroxyethyl)-5-methoxy-4-methyliso...)Show InChI InChI=1S/C12H14O5/c1-6-8-5-17-12(15)9(8)10(14)7(3-4-13)11(6)16-2/h13-14H,3-5H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3.00E+3 | 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 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-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50263247
(CHEMBL476562 | Mycophenolic bis(sulfonamide))Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCNS(=O)(=O)CS(N)(=O)=O Show InChI InChI=1S/C13H18N2O8S2/c1-7-9-5-23-13(17)10(9)11(16)8(12(7)22-2)3-4-15-25(20,21)6-24(14,18)19/h15-16H,3-6H2,1-2H3,(H2,14,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 4.00E+3 | 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 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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM50263248
(7-hydroxy-6-(2-hydroxyethyl)-5-methoxy-4-methyliso...)Show InChI InChI=1S/C12H14O5/c1-6-8-5-17-12(15)9(8)10(14)7(3-4-13)11(6)16-2/h13-14H,3-5H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.54E+4 | 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 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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM50263247
(CHEMBL476562 | Mycophenolic bis(sulfonamide))Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCNS(=O)(=O)CS(N)(=O)=O Show InChI InChI=1S/C13H18N2O8S2/c1-7-9-5-23-13(17)10(9)11(16)8(12(7)22-2)3-4-15-25(20,21)6-24(14,18)19/h15-16H,3-6H2,1-2H3,(H2,14,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.82E+4 | 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 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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM50263249
(Adenosine 5'-methylenebis(sulfonamide) | CHEMBL476...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)CS(N)(=O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H17N7O7S2/c12-9-6-10(15-2-14-9)18(3-16-6)11-8(20)7(19)5(25-11)1-17-27(23,24)4-26(13,21)22/h2-3,5,7-8,11,17,19-20H,1,4H2,(H2,12,14,15)(H2,13,21,22)/t5-,7-,8-,11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| >1.00E+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 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-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| >1.00E+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 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-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50263249
(Adenosine 5'-methylenebis(sulfonamide) | CHEMBL476...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)CS(N)(=O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H17N7O7S2/c12-9-6-10(15-2-14-9)18(3-16-6)11-8(20)7(19)5(25-11)1-17-27(23,24)4-26(13,21)22/h2-3,5,7-8,11,17,19-20H,1,4H2,(H2,12,14,15)(H2,13,21,22)/t5-,7-,8-,11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 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 | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50370476
(Combivir | ZIDOVUDINE TRIPHOSPHATE)Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Polish Academy of Sciences
Curated by ChEMBL
| Assay Description Tested against HIV-1 reverse transcriptase (HIV-1 RT) with poly(rA)/(dT)12-18 as template and [methyl-3H]-dTTP as competing substrate |
J Med Chem 37: 3850-4 (1994)
BindingDB Entry DOI: 10.7270/Q2PV6M05 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50030274
(1-[4-azido-5'-O-(1,1-Dithiotriphosphate)-methyl-(2...)Show SMILES Cc1cn([C@H]2CC(N=[N+]=[N-])C(COP([S-])(=S)OP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C10H16N5O11P3S2/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(24-8)4-23-29(30,31)26-28(21,22)25-27(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,30,31)(H,12,16,17)(H2,18,19,20)/p-4/t6?,7?,8-/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Polish Academy of Sciences
Curated by ChEMBL
| Assay Description Tested against HIV-1 reverse transcriptase (HIV-1 RT) with poly(rA)/(dT)12-18 as template and [methyl-3H]-dTTP as competing substrate |
J Med Chem 37: 3850-4 (1994)
BindingDB Entry DOI: 10.7270/Q2PV6M05 |
More data for this Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50263242
(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 |r| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.88E+4 | n/a | n/a | n/a | n/a | n/a | n/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-5'-monophosphate dehydrogenase 1
(Homo sapiens (Human)) | BDBM50263242
(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 |r| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.36E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |