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Compile Data Set for Download or QSAR

Found 81 hits Enz. Inhib. hit(s) with Target = 'Inosine-5'-monophosphate dehydrogenase' AND taxid = 83333   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM19254
PNG
(IMP | Inosine | Inosinic acid | [(2R,3S,4R,5R)-3,4...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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250n/an/an/an/an/an/an/an/a



Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK. stephen.d.pickett@gsk.com

Curated by ChEMBL


Assay Description
Inhibitory activity against Inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50222698
PNG
(CHEMBL607780)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1cnc2c(O)nc(\C=C\F)nc12
Show InChI InChI=1S/C12H14FN4O8P/c13-2-1-6-15-10-7(11(20)16-6)14-4-17(10)12-9(19)8(18)5(25-12)3-24-26(21,22)23/h1-2,4-5,8-9,12,18-19H,3H2,(H,15,16,20)(H2,21,22,23)/b2-1+/t5-,8-,9-,12?/m1/s1
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1.11E+3n/an/an/an/an/an/an/an/a



Department of Pharmaceutical and Biomedical Sciences, The University of Georgia, Athens, GA 30602, USA. vnair@rx.uga.edu

Curated by ChEMBL


Assay Description
Inhibition of IMPDH (Inosine 5''-monophosphate dehydrogenase)from Escherichia coli B3 cells


Bioorg Med Chem Lett 13: 645-7 (2003)


Article DOI: 10.1016/s0960-894x(02)01053-3
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50222697
PNG
(6-Cl-Purine Ribotide | CHEMBL1683023)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Cl)ncnc12
Show InChI InChI=1S/C10H12ClN4O7P/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,(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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6.20E+4n/an/an/an/an/an/an/an/a



Department of Pharmaceutical and Biomedical Sciences, The University of Georgia, Athens, GA 30602, USA. vnair@rx.uga.edu

Curated by ChEMBL


Assay Description
Inhibition of IMPDH (Inosine 5''-monophosphate dehydrogenase)from Escherichia coli B3 cells


Bioorg Med Chem Lett 13: 645-7 (2003)


Article DOI: 10.1016/s0960-894x(02)01053-3
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
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)


Article DOI: 10.1021/jm00142a007
BindingDB Entry DOI: 10.7270/Q22F7PMQ
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50112565
PNG
(CHEMBL25138 | N-tert-Butyl-N'-(3-methoxy-4-oxazol-...)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1cnco1
Show InChI InChI=1S/C16H19N3O4/c1-16(2,3)19-15(21)14(20)18-10-5-6-11(12(7-10)22-4)13-8-17-9-23-13/h5-9H,1-4H3,(H,18,20)(H,19,21)
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n/an/a 40n/an/an/an/an/an/a



Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK. stephen.d.pickett@gsk.com

Curated by ChEMBL


Assay Description
Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50112568
PNG
(CHEMBL24092 | N-tert-Butyl-N'-(3-chloro-4-oxazol-5...)
Show SMILES CC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(Cl)c1
Show InChI InChI=1S/C15H16ClN3O3/c1-15(2,3)19-14(21)13(20)18-9-4-5-10(11(16)6-9)12-7-17-8-22-12/h4-8H,1-3H3,(H,18,20)(H,19,21)
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n/an/a 180n/an/an/an/an/an/a



Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK. stephen.d.pickett@gsk.com

Curated by ChEMBL


Assay Description
Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50220617
PNG
(CHEMBL47928)
Show SMILES Cc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1cnco1
Show InChI InChI=1S/C16H19N3O3/c1-10-7-11(5-6-12(10)13-8-17-9-22-13)18-14(20)15(21)19-16(2,3)4/h5-9H,1-4H3,(H,18,20)(H,19,21)
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n/an/a 200n/an/an/an/an/an/a



Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK. stephen.d.pickett@gsk.com

Curated by ChEMBL


Assay Description
Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50220681
PNG
(CHEMBL45658)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1ocnc1C
Show InChI InChI=1S/C17H21N3O4/c1-10-14(24-9-18-10)12-7-6-11(8-13(12)23-5)19-15(21)16(22)20-17(2,3)4/h6-9H,1-5H3,(H,19,21)(H,20,22)
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n/an/a 430n/an/an/an/an/an/a



Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK. stephen.d.pickett@gsk.com

Curated by ChEMBL


Assay Description
Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50220682
PNG
(CHEMBL46358)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1cocn1
Show InChI InChI=1S/C16H19N3O4/c1-16(2,3)19-15(21)14(20)18-10-5-6-11(13(7-10)22-4)12-8-23-9-17-12/h5-9H,1-4H3,(H,18,20)(H,19,21)
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n/an/a 470n/an/an/an/an/an/a



Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK. stephen.d.pickett@gsk.com

Curated by ChEMBL


Assay Description
Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50220679
PNG
(CHEMBL45504)
Show SMILES CC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(F)c1
Show InChI InChI=1S/C15H16FN3O3/c1-15(2,3)19-14(21)13(20)18-9-4-5-10(11(16)6-9)12-7-17-8-22-12/h4-8H,1-3H3,(H,18,20)(H,19,21)
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n/an/a 730n/an/an/an/an/an/a



Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK. stephen.d.pickett@gsk.com

Curated by ChEMBL


Assay Description
Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50220673
PNG
(CHEMBL48668)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1cncs1
Show InChI InChI=1S/C16H19N3O3S/c1-16(2,3)19-15(21)14(20)18-10-5-6-11(12(7-10)22-4)13-8-17-9-23-13/h5-9H,1-4H3,(H,18,20)(H,19,21)
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n/an/a 910n/an/an/an/an/an/a



Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK. stephen.d.pickett@gsk.com

Curated by ChEMBL


Assay Description
Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50220616
PNG
(CHEMBL47830)
Show SMILES CCc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1cnco1
Show InChI InChI=1S/C17H21N3O3/c1-5-11-8-12(6-7-13(11)14-9-18-10-23-14)19-15(21)16(22)20-17(2,3)4/h6-10H,5H2,1-4H3,(H,19,21)(H,20,22)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK. stephen.d.pickett@gsk.com

Curated by ChEMBL


Assay Description
Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50220671
PNG
(CHEMBL44696)
Show SMILES CCOc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1cnco1
Show InChI InChI=1S/C17H21N3O4/c1-5-23-13-8-11(6-7-12(13)14-9-18-10-24-14)19-15(21)16(22)20-17(2,3)4/h6-10H,5H2,1-4H3,(H,19,21)(H,20,22)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK. stephen.d.pickett@gsk.com

Curated by ChEMBL


Assay Description
Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50220672
PNG
(CHEMBL416079)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1ccc[nH]1
Show InChI InChI=1S/C17H21N3O3/c1-17(2,3)20-16(22)15(21)19-11-7-8-12(14(10-11)23-4)13-6-5-9-18-13/h5-10,18H,1-4H3,(H,19,21)(H,20,22)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK. stephen.d.pickett@gsk.com

Curated by ChEMBL


Assay Description
Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50220615
PNG
(CHEMBL47067)
Show SMILES CC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(O)c1
Show InChI InChI=1S/C15H17N3O4/c1-15(2,3)18-14(21)13(20)17-9-4-5-10(11(19)6-9)12-7-16-8-22-12/h4-8,19H,1-3H3,(H,17,20)(H,18,21)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK. stephen.d.pickett@gsk.com

Curated by ChEMBL


Assay Description
Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50220618
PNG
(CHEMBL45771)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1ccco1
Show InChI InChI=1S/C17H20N2O4/c1-17(2,3)19-16(21)15(20)18-11-7-8-12(14(10-11)22-4)13-6-5-9-23-13/h5-10H,1-4H3,(H,18,20)(H,19,21)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK. stephen.d.pickett@gsk.com

Curated by ChEMBL


Assay Description
Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50112570
PNG
(CHEMBL279957 | N-tert-Butyl-N'-[4-(4-methyl-oxazol...)
Show SMILES Cc1ncoc1-c1ccc(NC(=O)C(=O)NC(C)(C)C)cc1
Show InChI InChI=1S/C16H19N3O3/c1-10-13(22-9-17-10)11-5-7-12(8-6-11)18-14(20)15(21)19-16(2,3)4/h5-9H,1-4H3,(H,18,20)(H,19,21)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK. stephen.d.pickett@gsk.com

Curated by ChEMBL


Assay Description
Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50220683
PNG
(CHEMBL432699)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)C)ccc1-c1nc[nH]n1
Show InChI InChI=1S/C15H19N5O3/c1-15(2,3)19-14(22)13(21)18-9-5-6-10(11(7-9)23-4)12-16-8-17-20-12/h5-8H,1-4H3,(H,18,21)(H,19,22)(H,16,17,20)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK. stephen.d.pickett@gsk.com

Curated by ChEMBL


Assay Description
Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (human))
BDBM50220620
PNG
(CHEMBL297980)
Show SMILES COc1ccc(NC(=O)C(=O)NC(C)(C)C)cc1-c1cnco1
Show InChI InChI=1S/C16H19N3O4/c1-16(2,3)19-15(21)14(20)18-10-5-6-12(22-4)11(7-10)13-8-17-9-23-13/h5-9H,1-4H3,(H,18,20)(H,19,21)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Roche Discovery Welwyn, Broadwater Road, Welwyn Garden City, Herts AL7 3AY, UK. stephen.d.pickett@gsk.com

Curated by ChEMBL


Assay Description
Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
More data for this
Ligand-Target Pair
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