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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with Target = 'Inosine-5'-monophosphate dehydrogenase' AND taxid = 83333   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367012
PNG
(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)
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1.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367019
PNG
(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
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
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1.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367008
PNG
(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)
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2.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367016
PNG
(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)
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2.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50366994
PNG
(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
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
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2.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50366998
PNG
(CHEMBL603972)
Show SMILES COc1ccc(CSc2nc3c(nc[nH]c3=O)n2C2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)cc1
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
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4.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367015
PNG
(CHEMBL606058)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1c(SCc2ccccc2)nc2c1nc[nH]c2=O
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
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4.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367022
PNG
(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)
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4.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367018
PNG
(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)
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5.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50366993
PNG
(CHEMBL603334)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCc3ccc(Cl)cc3)nc12
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
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5.30E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367007
PNG
(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)
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5.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367003
PNG
(CHEMBL606484)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCc3ccc(cc3)C#N)nc12
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
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5.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367005
PNG
(CHEMBL606014)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCCCc3ccccc3)nc12
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
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6.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50366999
PNG
(CHEMBL603714)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1c(Sc2ccccc2)nc2c1nc[nH]c2=O
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
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6.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367017
PNG
(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)
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6.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50366996
PNG
(CHEMBL603715)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(Sc3ccc(Cl)cc3)nc12
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
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7.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367000
PNG
(CHEMBL604183)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCc3ccc(F)cc3)nc12
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
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7.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367021
PNG
(CHEMBL605220)
Show SMILES CCCCCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
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
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8.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367014
PNG
(CHEMBL604182)
Show SMILES COc1ccc(CSc2nc3c(N)ncnc3n2C2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)cc1
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
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8.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367013
PNG
(CHEMBL606478)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCCc3ccccc3)nc12
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
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9.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367020
PNG
(CHEMBL606267)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(=S)[nH]c12
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
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9.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50366997
PNG
(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
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
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1.05E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367011
PNG
(CHEMBL606479)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCc3ccccc3)nc12
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
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1.24E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367023
PNG
(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
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
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1.29E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367006
PNG
(CHEMBL606264)
Show SMILES CC(C)(C)c1ccc(CSc2nc3c(N)ncnc3n2C2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)cc1
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
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1.30E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367004
PNG
(CHEMBL603973)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(Sc3ccccc3)nc12
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
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1.37E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367001
PNG
(CHEMBL606220)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(Br)nc12
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
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1.61E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367002
PNG
(CHEMBL1163091)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(SCc3ccc(cc3)C(O)=O)nc12
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
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1.96E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50366995
PNG
(CHEMBL604968)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1c(NCc2ccccc2)nc2c1nc[nH]c2=O
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
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2.36E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367010
PNG
(CHEMBL606265)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1c(Br)nc2c1nc[nH]c2=O
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
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2.71E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50367009
PNG
(CHEMBL603548)
Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(NCc3ccccc3)nc12
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
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2.75E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM18137
PNG
(AMP | CHEMBL752 | [(2R,3S,4R,5R)-5-adenin-9-yl-3,4...)
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
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4.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50405119
PNG
(CHEMBL610154)
Show SMILES O[C@H]1[C@H](CO[P+](O)(O)[O-])OC([C@H]1O)c1nc2nc(SCc3ccc(cc3Cl)[N+]([O-])=O)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C17H17ClN5O10PS/c18-8-3-7(23(27)28)2-1-6(8)5-35-17-21-14-10(16(26)22-17)19-15(20-14)13-12(25)11(24)9(33-13)4-32-34(29,30)31/h1-3,9,11-13,24-25H,4-5H2,(H2,29,30,31)(H2,19,20,21,22,26)/t9-,11-,12-,13?/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50405123
PNG
(CHEMBL611310)
Show SMILES O[C@H]1[C@H](CO[P+](O)(O)[O-])OC([C@H]1O)n1cnc2c1nc(SCc1cccc(c1)[N+]([O-])=O)[nH]c2=O
Show InChI InChI=1S/C17H18N5O10PS/c23-12-10(5-31-33(28,29)30)32-16(13(12)24)21-7-18-11-14(21)19-17(20-15(11)25)34-6-8-2-1-3-9(4-8)22(26)27/h1-4,7,10,12-13,16,23-24H,5-6H2,(H,19,20,25)(H2,28,29,30)/t10-,12-,13-,16?/m0/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50405116
PNG
(CHEMBL612226)
Show SMILES O[C@H]1[C@H](CO[P+](O)(O)[O-])OC([C@H]1O)n1cnc2c1nc(SCc1ccc(cc1)[N+]([O-])=O)[nH]c2=O
Show InChI InChI=1S/C17H18N5O10PS/c23-12-10(5-31-33(28,29)30)32-16(13(12)24)21-7-18-11-14(21)19-17(20-15(11)25)34-6-8-1-3-9(4-2-8)22(26)27/h1-4,7,10,12-13,16,23-24H,5-6H2,(H,19,20,25)(H2,28,29,30)/t10-,12-,13-,16?/m0/s1
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n/an/a 5.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50369236
PNG
(CHEMBL611912)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc(C=Cc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C18H19N4O8P/c23-14-11(8-29-31(26,27)28)30-18(15(14)24)22-9-19-13-16(22)20-12(21-17(13)25)7-6-10-4-2-1-3-5-10/h1-7,9,11,14-15,18,23-24H,8H2,(H,20,21,25)(H2,26,27,28)/t11-,14-,15-,18?/m0/s1
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n/an/a 6.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50405126
PNG
(CHEMBL611006)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc(SCc1ccccc1Cl)[nH]c2=O
Show InChI InChI=1S/C17H18ClN4O8PS/c18-9-4-2-1-3-8(9)6-32-17-20-14-11(15(25)21-17)19-7-22(14)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,20,21,25)(H2,26,27,28)/t10-,12-,13-,16?/m0/s1
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n/an/a 7.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50405121
PNG
(CHEMBL608081)
Show SMILES O[C@H]1[C@H](CO[P+](O)(O)[O-])OC([C@H]1O)n1cnc2c1nc(SCc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)[nH]c2=O
Show InChI InChI=1S/C17H17N6O12PS/c24-12-10(4-34-36(31,32)33)35-16(13(12)25)21-6-18-11-14(21)19-17(20-15(11)26)37-5-7-1-8(22(27)28)3-9(2-7)23(29)30/h1-3,6,10,12-13,16,24-25H,4-5H2,(H,19,20,26)(H2,31,32,33)/t10-,12-,13-,16?/m0/s1
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n/an/a 8.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50405113
PNG
(CHEMBL611910)
Show SMILES CCCCCCCCCCc1nc2n(cnc2c(=O)[nH]1)C1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H33N4O8P/c1-2-3-4-5-6-7-8-9-10-14-22-18-15(19(27)23-14)21-12-24(18)20-17(26)16(25)13(32-20)11-31-33(28,29)30/h12-13,16-17,20,25-26H,2-11H2,1H3,(H,22,23,27)(H2,28,29,30)/t13-,16-,17-,20?/m0/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50405117
PNG
(CHEMBL608363)
Show SMILES CCCCCCCCCc1nc2n(cnc2c(=O)[nH]1)C1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H31N4O8P/c1-2-3-4-5-6-7-8-9-13-21-17-14(18(26)22-13)20-11-23(17)19-16(25)15(24)12(31-19)10-30-32(27,28)29/h11-12,15-16,19,24-25H,2-10H2,1H3,(H,21,22,26)(H2,27,28,29)/t12-,15-,16-,19?/m0/s1
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n/an/a 1.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50405122
PNG
(CHEMBL607793)
Show SMILES CCCCCCCc1nc2n(cnc2c(=O)[nH]1)C1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H27N4O8P/c1-2-3-4-5-6-7-11-19-15-12(16(24)20-11)18-9-21(15)17-14(23)13(22)10(29-17)8-28-30(25,26)27/h9-10,13-14,17,22-23H,2-8H2,1H3,(H,19,20,24)(H2,25,26,27)/t10-,13-,14-,17?/m0/s1
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n/an/a 2.70E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50405120
PNG
(CHEMBL610716)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc(Cc1cccnc1)[nH]c2=O
Show InChI InChI=1S/C16H18N5O8P/c22-12-9(6-28-30(25,26)27)29-16(13(12)23)21-7-18-11-14(21)19-10(20-15(11)24)4-8-2-1-3-17-5-8/h1-3,5,7,9,12-13,16,22-23H,4,6H2,(H,19,20,24)(H2,25,26,27)/t9-,12-,13-,16?/m0/s1
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n/an/a 4.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50405114
PNG
(CHEMBL609561)
Show SMILES CCCCCCc1nc2n(cnc2c(=O)[nH]1)C1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C16H25N4O8P/c1-2-3-4-5-6-10-18-14-11(15(23)19-10)17-8-20(14)16-13(22)12(21)9(28-16)7-27-29(24,25)26/h8-9,12-13,16,21-22H,2-7H2,1H3,(H,18,19,23)(H2,24,25,26)/t9-,12-,13-,16?/m0/s1
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n/an/a 5.80E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50405118
PNG
(CHEMBL611601)
Show SMILES CCCCCCCCc1nc2n(cnc2c(=O)[nH]1)C1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C18H29N4O8P/c1-2-3-4-5-6-7-8-12-20-16-13(17(25)21-12)19-10-22(16)18-15(24)14(23)11(30-18)9-29-31(26,27)28/h10-11,14-15,18,23-24H,2-9H2,1H3,(H,20,21,25)(H2,26,27,28)/t11-,14-,15-,18?/m0/s1
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n/an/a 6.80E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50405124
PNG
(CHEMBL609844)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc(Cc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C17H19N4O8P/c22-13-10(7-28-30(25,26)27)29-17(14(13)23)21-8-18-12-15(21)19-11(20-16(12)24)6-9-4-2-1-3-5-9/h1-5,8,10,13-14,17,22-23H,6-7H2,(H,19,20,24)(H2,25,26,27)/t10-,13-,14-,17?/m0/s1
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n/an/a 7.70E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50405127
PNG
(CHEMBL609836)
Show SMILES COc1ccc(cc1)-c1nc2n(cnc2c(=O)[nH]1)C1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H19N4O9P/c1-28-9-4-2-8(3-5-9)14-19-15-11(16(24)20-14)18-7-21(15)17-13(23)12(22)10(30-17)6-29-31(25,26)27/h2-5,7,10,12-13,17,22-23H,6H2,1H3,(H,19,20,24)(H2,25,26,27)/t10-,12-,13-,17?/m0/s1
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n/an/a 8.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50405115
PNG
(CHEMBL610999)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc([nH]c2=O)-c1ccccc1
Show InChI InChI=1S/C16H17N4O8P/c21-11-9(6-27-29(24,25)26)28-16(12(11)22)20-7-17-10-14(20)18-13(19-15(10)23)8-4-2-1-3-5-8/h1-5,7,9,11-12,16,21-22H,6H2,(H,18,19,23)(H2,24,25,26)/t9-,11-,12-,16?/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Escherichia coli (strain K12))
BDBM50405125
PNG
(CHEMBL611911)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc([nH]c2=O)-c1cccnc1
Show InChI InChI=1S/C15H16N5O8P/c21-10-8(5-27-29(24,25)26)28-15(11(10)22)20-6-17-9-13(20)18-12(19-14(9)23)7-2-1-3-16-4-7/h1-4,6,8,10-11,15,21-22H,5H2,(H,18,19,23)(H2,24,25,26)/t8-,10-,11-,15?/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair