Found 32 hits of ki for UniProtKB: P0ADG7 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367012
(CHEMBL606055)Show SMILES Nc1ncnc2n(C3OC(CO[P+](O)(O)[O-])C(O)C3O)c(SCc3ccc(cc3Cl)[N+]([O-])=O)nc12 Show InChI InChI=1S/C17H18ClN6O9PS/c18-9-3-8(24(27)28)2-1-7(9)5-35-17-22-11-14(19)20-6-21-15(11)23(17)16-13(26)12(25)10(33-16)4-32-34(29,30)31/h1-3,6,10,12-13,16,25-26H,4-5H2,(H2,19,20,21)(H2,29,30,31) | PDB
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| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367019
(CHEMBL603762)Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1c(SCc2ccc(cc2)C#N)nc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C18H18N5O8PS/c19-5-9-1-3-10(4-2-9)7-33-18-22-12-15(20-8-21-16(12)26)23(18)17-14(25)13(24)11(31-17)6-30-32(27,28)29/h1-4,8,11,13-14,17,24-25H,6-7H2,(H,20,21,26)(H2,27,28,29)/t11-,13-,14-,17?/m1/s1 | PDB
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| 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367008
(CHEMBL603761)Show SMILES Nc1ncnc2n(C3OC(CO[P+](O)(O)[O-])C(O)C3O)c(SCc3cc(cc(c3)[N+]([O-])=O)[N+]([O-])=O)nc12 Show InChI InChI=1S/C17H18N7O11PS/c18-14-11-15(20-6-19-14)22(16-13(26)12(25)10(35-16)4-34-36(31,32)33)17(21-11)37-5-7-1-8(23(27)28)3-9(2-7)24(29)30/h1-3,6,10,12-13,16,25-26H,4-5H2,(H2,18,19,20)(H2,31,32,33) | PDB
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| 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367016
(CHEMBL604181)Show SMILES OC1C(COP(O)(O)=O)OC(C1O)n1c(SCc2ccc(cc2)[N+]([O-])=O)nc2c1nc[n-]c2=[OH+] Show InChI InChI=1S/C17H18N5O10PS/c23-12-10(5-31-33(28,29)30)32-16(13(12)24)21-14-11(15(25)19-7-18-14)20-17(21)34-6-8-1-3-9(4-2-8)22(26)27/h1-4,7,10,12-13,16,23-24H,5-6H2,(H3,18,19,25,28,29,30) | PDB
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| 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50366994
(CHEMBL603550)Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1c(SCc2ccc(Cl)cc2)nc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C17H18ClN4O8PS/c18-9-3-1-8(2-4-9)6-32-17-21-11-14(19-7-20-15(11)25)22(17)16-13(24)12(23)10(30-16)5-29-31(26,27)28/h1-4,7,10,12-13,16,23-24H,5-6H2,(H,19,20,25)(H2,26,27,28)/t10-,12-,13-,16?/m1/s1 | PDB
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| 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50366998
(CHEMBL603972)Show SMILES COc1ccc(CSc2nc3c(nc[nH]c3=O)n2C2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C18H21N4O9PS/c1-29-10-4-2-9(3-5-10)7-33-18-21-12-15(19-8-20-16(12)25)22(18)17-14(24)13(23)11(31-17)6-30-32(26,27)28/h2-5,8,11,13-14,17,23-24H,6-7H2,1H3,(H,19,20,25)(H2,26,27,28)/t11-,13-,14-,17?/m1/s1 | PDB
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| 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367015
(CHEMBL606058)Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1c(SCc2ccccc2)nc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C17H19N4O8PS/c22-12-10(6-28-30(25,26)27)29-16(13(12)23)21-14-11(15(24)19-8-18-14)20-17(21)31-7-9-4-2-1-3-5-9/h1-5,8,10,12-13,16,22-23H,6-7H2,(H,18,19,24)(H2,25,26,27)/t10-,12-,13-,16?/m1/s1 | PDB
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| 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367022
(CHEMBL606224)Show SMILES Nc1ncnc2n(C3OC(CO[P+](O)(O)[O-])C(O)C3O)c(SCc3cccc(c3)[N+]([O-])=O)nc12 Show InChI InChI=1S/C17H19N6O9PS/c18-14-11-15(20-7-19-14)22(16-13(25)12(24)10(32-16)5-31-33(28,29)30)17(21-11)34-6-8-2-1-3-9(4-8)23(26)27/h1-4,7,10,12-13,16,24-25H,5-6H2,(H2,18,19,20)(H2,28,29,30) | PDB
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| 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367018
(CHEMBL605640)Show SMILES Nc1ncnc2n(C3OC(CO[P+](O)(O)[O-])C(O)C3O)c(SCc3ccc(cc3)[N+]([O-])=O)nc12 Show InChI InChI=1S/C17H19N6O9PS/c18-14-11-15(20-7-19-14)22(16-13(25)12(24)10(32-16)5-31-33(28,29)30)17(21-11)34-6-8-1-3-9(4-2-8)23(26)27/h1-4,7,10,12-13,16,24-25H,5-6H2,(H2,18,19,20)(H2,28,29,30) | PDB
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| 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50366993
(CHEMBL603334)Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C17H19ClN5O7PS/c18-9-3-1-8(2-4-9)6-32-17-22-11-14(19)20-7-21-15(11)23(17)16-13(25)12(24)10(30-16)5-29-31(26,27)28/h1-4,7,10,12-13,16,24-25H,5-6H2,(H2,19,20,21)(H2,26,27,28)/t10-,12-,13-,16?/m1/s1 | PDB
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| 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367007
(CHEMBL605641)Show SMILES OC1C(COP(O)(O)=O)OC(C1O)n1c(SCCc2ccc(cc2)[N+]([O-])=O)nc2c1nc[n-]c2=[OH+] Show InChI InChI=1S/C18H20N5O10PS/c24-13-11(7-32-34(29,30)31)33-17(14(13)25)22-15-12(16(26)20-8-19-15)21-18(22)35-6-5-9-1-3-10(4-2-9)23(27)28/h1-4,8,11,13-14,17,24-25H,5-7H2,(H3,19,20,26,29,30,31) | PDB
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| 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367003
(CHEMBL606484)Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCc3ccc(cc3)C#N)nc12 |r| Show InChI InChI=1S/C18H19N6O7PS/c19-5-9-1-3-10(4-2-9)7-33-18-23-12-15(20)21-8-22-16(12)24(18)17-14(26)13(25)11(31-17)6-30-32(27,28)29/h1-4,8,11,13-14,17,25-26H,6-7H2,(H2,20,21,22)(H2,27,28,29)/t11-,13-,14-,17?/m1/s1 | PDB
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| 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367005
(CHEMBL606014)Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCCCc3ccccc3)nc12 |r| Show InChI InChI=1S/C19H24N5O7PS/c20-16-13-17(22-10-21-16)24(18-15(26)14(25)12(31-18)9-30-32(27,28)29)19(23-13)33-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10,12,14-15,18,25-26H,4,7-9H2,(H2,20,21,22)(H2,27,28,29)/t12-,14-,15-,18?/m1/s1 | PDB
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| 6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367017
(CHEMBL605849)Show SMILES Nc1ncnc2n(C3OC(CO[P+](O)(O)[O-])C(O)C3O)c(SCCc3ccc(cc3)[N+]([O-])=O)nc12 Show InChI InChI=1S/C18H21N6O9PS/c19-15-12-16(21-8-20-15)23(17-14(26)13(25)11(33-17)7-32-34(29,30)31)18(22-12)35-6-5-9-1-3-10(4-2-9)24(27)28/h1-4,8,11,13-14,17,25-26H,5-7H2,(H2,19,20,21)(H2,29,30,31) | PDB
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| 6.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50366999
(CHEMBL603714)Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1c(Sc2ccccc2)nc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C16H17N4O8PS/c21-11-9(6-27-29(24,25)26)28-15(12(11)22)20-13-10(14(23)18-7-17-13)19-16(20)30-8-4-2-1-3-5-8/h1-5,7,9,11-12,15,21-22H,6H2,(H,17,18,23)(H2,24,25,26)/t9-,11-,12-,15?/m1/s1 | PDB
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| 6.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50366996
(CHEMBL603715)Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(Sc3ccc(Cl)cc3)nc12 |r| Show InChI InChI=1S/C16H17ClN5O7PS/c17-7-1-3-8(4-2-7)31-16-21-10-13(18)19-6-20-14(10)22(16)15-12(24)11(23)9(29-15)5-28-30(25,26)27/h1-4,6,9,11-12,15,23-24H,5H2,(H2,18,19,20)(H2,25,26,27)/t9-,11-,12-,15?/m1/s1 | PDB
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| 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367000
(CHEMBL604183)Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCc3ccc(F)cc3)nc12 |r| Show InChI InChI=1S/C17H19FN5O7PS/c18-9-3-1-8(2-4-9)6-32-17-22-11-14(19)20-7-21-15(11)23(17)16-13(25)12(24)10(30-16)5-29-31(26,27)28/h1-4,7,10,12-13,16,24-25H,5-6H2,(H2,19,20,21)(H2,26,27,28)/t10-,12-,13-,16?/m1/s1 | PDB
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| 7.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367021
(CHEMBL605220)Show SMILES CCCCCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H24N5O7PS/c1-2-3-4-5-29-15-19-9-12(16)17-7-18-13(9)20(15)14-11(22)10(21)8(27-14)6-26-28(23,24)25/h7-8,10-11,14,21-22H,2-6H2,1H3,(H2,16,17,18)(H2,23,24,25)/t8-,10-,11-,14?/m1/s1 | PDB
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| 8.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367014
(CHEMBL604182)Show SMILES COc1ccc(CSc2nc3c(N)ncnc3n2C2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C18H22N5O8PS/c1-29-10-4-2-9(3-5-10)7-33-18-22-12-15(19)20-8-21-16(12)23(18)17-14(25)13(24)11(31-17)6-30-32(26,27)28/h2-5,8,11,13-14,17,24-25H,6-7H2,1H3,(H2,19,20,21)(H2,26,27,28)/t11-,13-,14-,17?/m1/s1 | PDB
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Similars
| PubMed
| 8.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367013
(CHEMBL606478)Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCCc3ccccc3)nc12 |r| Show InChI InChI=1S/C18H22N5O7PS/c19-15-12-16(21-9-20-15)23(18(22-12)32-7-6-10-4-2-1-3-5-10)17-14(25)13(24)11(30-17)8-29-31(26,27)28/h1-5,9,11,13-14,17,24-25H,6-8H2,(H2,19,20,21)(H2,26,27,28)/t11-,13-,14-,17?/m1/s1 | PDB
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| 9.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367020
(CHEMBL606267)Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(=S)[nH]c12 |r| Show InChI InChI=1S/C10H14N5O7PS/c11-7-4-8(13-2-12-7)15(10(24)14-4)9-6(17)5(16)3(22-9)1-21-23(18,19)20/h2-3,5-6,9,16-17H,1H2,(H,14,24)(H2,11,12,13)(H2,18,19,20)/t3-,5-,6-,9?/m1/s1 | PDB
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| 9.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50366997
(CHEMBL604597)Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1c(Sc2cccc(c2)C(F)(F)F)nc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C17H16F3N4O8PS/c18-17(19,20)7-2-1-3-8(4-7)34-16-23-10-13(21-6-22-14(10)27)24(16)15-12(26)11(25)9(32-15)5-31-33(28,29)30/h1-4,6,9,11-12,15,25-26H,5H2,(H,21,22,27)(H2,28,29,30)/t9-,11-,12-,15?/m1/s1 | PDB
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| 1.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367011
(CHEMBL606479)Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCc3ccccc3)nc12 |r| Show InChI InChI=1S/C17H20N5O7PS/c18-14-11-15(20-8-19-14)22(17(21-11)31-7-9-4-2-1-3-5-9)16-13(24)12(23)10(29-16)6-28-30(25,26)27/h1-5,8,10,12-13,16,23-24H,6-7H2,(H2,18,19,20)(H2,25,26,27)/t10-,12-,13-,16?/m1/s1 | PDB
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| 1.24E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367023
(CHEMBL603341)Show SMILES CC(C)(C)c1ccc(CSc2nc3c(nc[nH]c3=O)n2C2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C21H27N4O8PS/c1-21(2,3)12-6-4-11(5-7-12)9-35-20-24-14-17(22-10-23-18(14)28)25(20)19-16(27)15(26)13(33-19)8-32-34(29,30)31/h4-7,10,13,15-16,19,26-27H,8-9H2,1-3H3,(H,22,23,28)(H2,29,30,31)/t13-,15-,16-,19?/m1/s1 | PDB
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| 1.29E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367006
(CHEMBL606264)Show SMILES CC(C)(C)c1ccc(CSc2nc3c(N)ncnc3n2C2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C21H28N5O7PS/c1-21(2,3)12-6-4-11(5-7-12)9-35-20-25-14-17(22)23-10-24-18(14)26(20)19-16(28)15(27)13(33-19)8-32-34(29,30)31/h4-7,10,13,15-16,19,27-28H,8-9H2,1-3H3,(H2,22,23,24)(H2,29,30,31)/t13-,15-,16-,19?/m1/s1 | PDB
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| 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367004
(CHEMBL603973)Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(Sc3ccccc3)nc12 |r| Show InChI InChI=1S/C16H18N5O7PS/c17-13-10-14(19-7-18-13)21(16(20-10)30-8-4-2-1-3-5-8)15-12(23)11(22)9(28-15)6-27-29(24,25)26/h1-5,7,9,11-12,15,22-23H,6H2,(H2,17,18,19)(H2,24,25,26)/t9-,11-,12-,15?/m1/s1 | PDB
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| 1.37E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50222467
(8-Bromo-Adenosine Mono Phosphate | CHEMBL1230617)Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(Br)nc12 |r| Show InChI InChI=1S/C10H13BrN5O7P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1 | PDB
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| 1.61E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367002
(CHEMBL1163091)Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCc3ccc(cc3)C(O)=O)nc12 |r| Show InChI InChI=1S/C18H20N5O9PS/c19-14-11-15(21-7-20-14)23(16-13(25)12(24)10(32-16)5-31-33(28,29)30)18(22-11)34-6-8-1-3-9(4-2-8)17(26)27/h1-4,7,10,12-13,16,24-25H,5-6H2,(H,26,27)(H2,19,20,21)(H2,28,29,30)/t10-,12-,13-,16?/m1/s1 | PDB
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| 1.96E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50366995
(CHEMBL604968)Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1c(NCc2ccccc2)nc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C17H20N5O8P/c23-12-10(7-29-31(26,27)28)30-16(13(12)24)22-14-11(15(25)20-8-19-14)21-17(22)18-6-9-4-2-1-3-5-9/h1-5,8,10,12-13,16,23-24H,6-7H2,(H,18,21)(H,19,20,25)(H2,26,27,28)/t10-,12-,13-,16?/m1/s1 | PDB
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| 2.36E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367010
(CHEMBL606265)Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1c(Br)nc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C10H12BrN4O8P/c11-10-14-4-7(12-2-13-8(4)18)15(10)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,12,13,18)(H2,19,20,21)/t3-,5-,6-,9?/m1/s1 | PDB
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| 2.71E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM50367009
(CHEMBL603548)Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(NCc3ccccc3)nc12 |r| Show InChI InChI=1S/C17H21N6O7P/c18-14-11-15(21-8-20-14)23(17(22-11)19-6-9-4-2-1-3-5-9)16-13(25)12(24)10(30-16)7-29-31(26,27)28/h1-5,8,10,12-13,16,24-25H,6-7H2,(H,19,22)(H2,18,20,21)(H2,26,27,28)/t10-,12-,13-,16?/m1/s1 | PDB
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| 2.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
Inosine-5'-monophosphate dehydrogenase
(Escherichia coli (strain K12)) | BDBM18137
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB
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| 4.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli |
J Med Chem 24: 1155-61 (1982)
BindingDB Entry DOI: 10.7270/Q22F7PMQ |
More data for this
Ligand-Target Pair | |
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