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Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with Target = 'Inosine-5'-monophosphate dehydrogenase'   
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


(Bacillus anthracis)
BDBM50100980
PNG
(CHEMBL2178617)
Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(N)=O
Show InChI InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+
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1.5n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50100958
PNG
(CHEMBL3329562)
Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C18H20BrN3O2/c1-12(22-24)13-5-4-6-14(11-13)18(2,3)21-17(23)20-16-9-7-15(19)8-10-16/h4-11,24H,1-3H3,(H2,20,21,23)/b22-12+
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2.30n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50100980
PNG
(CHEMBL2178617)
Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(N)=O
Show InChI InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+
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8n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50426014
PNG
(CHEMBL2315283)
Show SMILES Cn1nc(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c2ccccc2c1=O
Show InChI InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)
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12n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50432791
PNG
(CHEMBL2348823)
Show SMILES C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m0/s1
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17n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50432791
PNG
(CHEMBL2348823)
Show SMILES C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m0/s1
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24n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50100893
PNG
(CHEMBL549612)
Show SMILES C[C@@H](Oc1cc[n+]([O-])c2ccccc12)c1cn(nn1)-c1ccc(Cl)cc1
Show InChI InChI=1/C19H15ClN4O2/c1-13(17-12-23(22-21-17)15-8-6-14(20)7-9-15)26-19-10-11-24(25)18-5-3-2-4-16(18)19/h2-13H,1H3/t13-/s2
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38n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry


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


(Bacillus anthracis)
BDBM81428
PNG
(N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)
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44n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50100958
PNG
(CHEMBL3329562)
Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C18H20BrN3O2/c1-12(22-24)13-5-4-6-14(11-13)18(2,3)21-17(23)20-16-9-7-15(19)8-10-16/h4-11,24H,1-3H3,(H2,20,21,23)/b22-12+
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48n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50100893
PNG
(CHEMBL549612)
Show SMILES C[C@@H](Oc1cc[n+]([O-])c2ccccc12)c1cn(nn1)-c1ccc(Cl)cc1
Show InChI InChI=1/C19H15ClN4O2/c1-13(17-12-23(22-21-17)15-8-6-14(20)7-9-15)26-19-10-11-24(25)18-5-3-2-4-16(18)19/h2-13H,1H3/t13-/s2
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58n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50367389
PNG
(CHEMBL605602)
Show SMILES NC(=O)c1csc(n1)C1O[C@H](COP(O)(=O)CP(O)(=O)OC[C@@H]2OC([C@@H](O)[C@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C20H27N7O13P2S/c21-16-10-18(24-4-23-16)27(5-25-10)20-14(31)12(29)9(40-20)2-38-42(35,36)6-41(33,34)37-1-8-11(28)13(30)15(39-8)19-26-7(3-43-19)17(22)32/h3-5,8-9,11-15,20,28-31H,1-2,6H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)/t8-,9+,11-,12+,13-,14+,15?,20?/m1/s1
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230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive


J Med Chem 29: 1726-31 (1986)

More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50421763
PNG
(CHEMBL2364562)
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)ncnc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H25N7O14P2S/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+/m0/s1
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240n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive


J Med Chem 29: 1726-31 (1986)

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


(Bacillus anthracis)
BDBM50426014
PNG
(CHEMBL2315283)
Show SMILES Cn1nc(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c2ccccc2c1=O
Show InChI InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)
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500n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM81428
PNG
(N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...)
Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)
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820n/an/an/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50019476
PNG
(CHEMBL48277 | alpha-methylene-Thiazole-4-carboxami...)
Show SMILES NC(=O)c1csc(n1)C1OC(CCP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)n2cnc3c(N)ncnc23)C(O)C1O
Show InChI InChI=1S/C20H27N7O13P2S/c21-16-10-18(24-5-23-16)27(6-25-10)20-14(31)12(29)9(39-20)3-37-42(35,36)40-41(33,34)2-1-8-11(28)13(30)15(38-8)19-26-7(4-43-19)17(22)32/h4-6,8-9,11-15,20,28-31H,1-3H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)
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1.97E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive


J Med Chem 29: 1726-31 (1986)

More data for this
Ligand-Target Pair
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


J Med Chem 24: 1155-61 (1982)

More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50019477
PNG
(CHEMBL49226 | gama-methylene-Thiazole-4-carboxamid...)
Show SMILES NC(=O)c1csc(n1)C1OC(COP(O)(=O)OP(O)(=O)CCC2OC(C(O)C2O)n2cnc3c(N)ncnc23)C(O)C1O
Show InChI InChI=1S/C20H27N7O13P2S/c21-16-10-18(24-5-23-16)27(6-25-10)20-14(31)11(28)8(39-20)1-2-41(33,34)40-42(35,36)37-3-9-12(29)13(30)15(38-9)19-26-7(4-43-19)17(22)32/h4-6,8-9,11-15,20,28-31H,1-3H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)
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1.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive


J Med Chem 29: 1726-31 (1986)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


J Med Chem 24: 1155-61 (1982)

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


(Bacillus anthracis)
BDBM50100981
PNG
(CHEMBL2178644)
Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H19ClF3N3O2/c1-11(26-28)12-5-4-6-13(9-12)18(2,3)25-17(27)24-14-7-8-16(20)15(10-14)19(21,22)23/h4-10,28H,1-3H3,(H2,24,25,27)/b26-11+
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n/an/a 2n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


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


(Bacillus anthracis)
BDBM50100958
PNG
(CHEMBL3329562)
Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C18H20BrN3O2/c1-12(22-24)13-5-4-6-14(11-13)18(2,3)21-17(23)20-16-9-7-15(19)8-10-16/h4-11,24H,1-3H3,(H2,20,21,23)/b22-12+
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n/an/a 4n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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