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Compile Data Set for Download or QSAR

Found 763 hits of ic50 for Inosine-5'-monophosphate dehydrogenase (IMPDH)
having polymerids = 1989 and
complexids = 50007982   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM248094
PNG
(VX-497 (2))
Show SMILES COc1cc(NC(=O)Nc2cccc(CNC(=O)OC3CCOC3)c2)ccc1-c1cnco1
Show InChI InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)
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n/an/a 3.5n/an/an/an/a8.037



Nycomed



Assay Description
The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...


J Enzyme Inhib Med Chem 29: 408-19 (2014)


Article DOI: 10.3109/14756366.2013.793184
BindingDB Entry DOI: 10.7270/Q28P5ZDV
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (Human))
BDBM50123335
PNG
(2-(3,4-Dimethyl-phenyl)-7-methoxy-6-oxazol-5-yl-1H...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C21H18N2O3/c1-12-4-5-14(6-13(12)2)17-8-19(24)15-7-16(21-10-22-11-26-21)20(25-3)9-18(15)23-17/h4-11H,1-3H3,(H,23,24)
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n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibition of human inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 543-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00944-7
BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (Human))
BDBM50123332
PNG
(7-Methoxy-2-(4-methoxy-phenyl)-6-oxazol-5-yl-1H-qu...)
Show SMILES COc1ccc(cc1)-c1cc(O)c2cc(-c3cnco3)c(OC)cc2n1
Show InChI InChI=1S/C20H16N2O4/c1-24-13-5-3-12(4-6-13)16-8-18(23)14-7-15(20-10-21-11-26-20)19(25-2)9-17(14)22-16/h3-11H,1-2H3,(H,22,23)
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n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibition of human inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 543-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00944-7
BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (Human))
BDBM50123317
PNG
(7-Methoxy-6-oxazol-5-yl-2-p-tolyl-1H-quinolin-4-on...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(C)cc1
Show InChI InChI=1S/C20H16N2O3/c1-12-3-5-13(6-4-12)16-8-18(23)14-7-15(20-10-21-11-25-20)19(24-2)9-17(14)22-16/h3-11H,1-2H3,(H,22,23)
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n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibition of human inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 543-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00944-7
BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (Human))
BDBM50222633
PNG
(CHEMBL356881)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(C)c(OCC2CCCO2)c1
Show InChI InChI=1S/C25H24N2O5/c1-15-5-6-16(8-23(15)31-13-17-4-3-7-30-17)20-10-22(28)18-9-19(25-12-26-14-32-25)24(29-2)11-21(18)27-20/h5-6,8-12,14,17H,3-4,7,13H2,1-2H3,(H,27,28)
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n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 547-51 (2003)


Article DOI: 10.1016/s0960-894x(02)00945-9
BindingDB Entry DOI: 10.7270/Q2NS0T7H
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (Human))
BDBM50222630
PNG
(CHEMBL153481)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(C)c(OCCN2CCOCC2)c1
Show InChI InChI=1S/C26H27N3O5/c1-17-3-4-18(11-24(17)33-10-7-29-5-8-32-9-6-29)21-13-23(30)19-12-20(26-15-27-16-34-26)25(31-2)14-22(19)28-21/h3-4,11-16H,5-10H2,1-2H3,(H,28,30)
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n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 547-51 (2003)


Article DOI: 10.1016/s0960-894x(02)00945-9
BindingDB Entry DOI: 10.7270/Q2NS0T7H
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50123358
PNG
(7-Methoxy-2-(4-methyl-3-morpholin-4-yl-phenyl)-6-o...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(C)c(c1)N1CCOCC1
Show InChI InChI=1S/C24H23N3O4/c1-15-3-4-16(9-21(15)27-5-7-30-8-6-27)19-11-22(28)17-10-18(24-13-25-14-31-24)23(29-2)12-20(17)26-19/h3-4,9-14H,5-8H2,1-2H3,(H,26,28)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 547-51 (2003)


Article DOI: 10.1016/s0960-894x(02)00945-9
BindingDB Entry DOI: 10.7270/Q2NS0T7H
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50123355
PNG
(2-(3-Dimethylamino-indan-5-yl)-7-methoxy-6-oxazol-...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc2CCC(N(C)C)c2c1
Show InChI InChI=1S/C24H23N3O3/c1-27(2)21-7-6-14-4-5-15(8-16(14)21)19-10-22(28)17-9-18(24-12-25-13-30-24)23(29-3)11-20(17)26-19/h4-5,8-13,21H,6-7H2,1-3H3,(H,26,28)
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n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 547-51 (2003)


Article DOI: 10.1016/s0960-894x(02)00945-9
BindingDB Entry DOI: 10.7270/Q2NS0T7H
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50126275
PNG
(CHEMBL280793 | Isoquinolin-6-yl-(5-phenyl-oxazol-2...)
Show SMILES N(c1ncc(o1)-c1ccccc1)c1ccc2cnccc2c1
Show InChI InChI=1S/C18H13N3O/c1-2-4-13(5-3-1)17-12-20-18(22-17)21-16-7-6-15-11-19-9-8-14(15)10-16/h1-12H,(H,20,21)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)


Bioorg Med Chem Lett 13: 1345-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00107-0
BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50123321
PNG
(7-Methoxy-6-oxazol-5-yl-2-m-tolyl-1H-quinolin-4-on...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1cccc(C)c1
Show InChI InChI=1S/C20H16N2O3/c1-12-4-3-5-13(6-12)16-8-18(23)14-7-15(20-10-21-11-25-20)19(24-2)9-17(14)22-16/h3-11H,1-2H3,(H,22,23)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibition of human inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 543-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00944-7
BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50123333
PNG
(2-(4-Bromo-phenyl)-7-methoxy-6-oxazol-5-yl-1H-quin...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(Br)cc1
Show InChI InChI=1S/C19H13BrN2O3/c1-24-18-8-16-13(6-14(18)19-9-21-10-25-19)17(23)7-15(22-16)11-2-4-12(20)5-3-11/h2-10H,1H3,(H,22,23)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibition of human inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 543-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00944-7
BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (Human))
BDBM50123355
PNG
(2-(3-Dimethylamino-indan-5-yl)-7-methoxy-6-oxazol-...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc2CCC(N(C)C)c2c1
Show InChI InChI=1S/C24H23N3O3/c1-27(2)21-7-6-14-4-5-15(8-16(14)21)19-10-22(28)17-9-18(24-12-25-13-30-24)23(29-3)11-20(17)26-19/h4-5,8-13,21H,6-7H2,1-3H3,(H,26,28)
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n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 547-51 (2003)


Article DOI: 10.1016/s0960-894x(02)00945-9
BindingDB Entry DOI: 10.7270/Q2NS0T7H
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (Human))
BDBM50123355
PNG
(2-(3-Dimethylamino-indan-5-yl)-7-methoxy-6-oxazol-...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc2CCC(N(C)C)c2c1
Show InChI InChI=1S/C24H23N3O3/c1-27(2)21-7-6-14-4-5-15(8-16(14)21)19-10-22(28)17-9-18(24-12-25-13-30-24)23(29-3)11-20(17)26-19/h4-5,8-13,21H,6-7H2,1-3H3,(H,26,28)
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 547-51 (2003)


Article DOI: 10.1016/s0960-894x(02)00945-9
BindingDB Entry DOI: 10.7270/Q2NS0T7H
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50123353
PNG
(2-(3-Azetidin-1-yl-indan-5-yl)-7-methoxy-6-oxazol-...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc2CCC(N3CCC3)c2c1
Show InChI InChI=1S/C25H23N3O3/c1-30-24-12-21-18(10-19(24)25-13-26-14-31-25)23(29)11-20(27-21)16-4-3-15-5-6-22(17(15)9-16)28-7-2-8-28/h3-4,9-14,22H,2,5-8H2,1H3,(H,27,29)
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 547-51 (2003)


Article DOI: 10.1016/s0960-894x(02)00945-9
BindingDB Entry DOI: 10.7270/Q2NS0T7H
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50133731
PNG
(CHEMBL118988 | {3-[3-(4-Cyano-3-methoxy-phenyl)-ur...)
Show SMILES CC[C@H](CC#N)OC(=O)NCc1cccc(NC(=O)Nc2ccc(C#N)c(OC)c2)c1
Show InChI InChI=1S/C22H23N5O4/c1-3-19(9-10-23)31-22(29)25-14-15-5-4-6-17(11-15)26-21(28)27-18-8-7-16(13-24)20(12-18)30-2/h4-8,11-12,19H,3,9,14H2,1-2H3,(H,25,29)(H2,26,27,28)/t19-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50120529
PNG
(Acetic acid (methyl-{2-[2-(3-oxazol-5-yl-1H-indol-...)
Show SMILES CN(C(=O)COC(C)=O)c1ccccc1-c1cnc(Nc2ccc3c(c[nH]c3c2)-c2cnco2)o1
Show InChI InChI=1S/C25H21N5O5/c1-15(31)33-13-24(32)30(2)21-6-4-3-5-18(21)23-12-28-25(35-23)29-16-7-8-17-19(10-27-20(17)9-16)22-11-26-14-34-22/h3-12,14,27H,13H2,1-2H3,(H,28,29)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50120529
PNG
(Acetic acid (methyl-{2-[2-(3-oxazol-5-yl-1H-indol-...)
Show SMILES CN(C(=O)COC(C)=O)c1ccccc1-c1cnc(Nc2ccc3c(c[nH]c3c2)-c2cnco2)o1
Show InChI InChI=1S/C25H21N5O5/c1-15(31)33-13-24(32)30(2)21-6-4-3-5-18(21)23-12-28-25(35-23)29-16-7-8-17-19(10-27-20(17)9-16)22-11-26-14-34-22/h3-12,14,27H,13H2,1-2H3,(H,28,29)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined


Bioorg Med Chem Lett 12: 3305-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00748-5
BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM19284
PNG
(Acridone-Based Inhibitor, 4h | N-{2-[3-(dimethylsu...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
Show InChI InChI=1S/C25H24FN3O4S/c1-25(2,15-8-7-9-16(12-15)34(32,33)29(3)4)28-24(31)18-14-22-19(13-20(18)26)23(30)17-10-5-6-11-21(17)27-22/h5-14H,1-4H3,(H,27,30)(H,28,31)
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n/an/a 7.90n/a 380n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (Human))
BDBM50123324
PNG
(7-Methoxy-6-oxazol-5-yl-2-phenyl-1H-quinolin-4-one...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccccc1
Show InChI InChI=1S/C19H14N2O3/c1-23-18-9-16-13(7-14(18)19-10-20-11-24-19)17(22)8-15(21-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibition of human inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 543-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00944-7
BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50123324
PNG
(7-Methoxy-6-oxazol-5-yl-2-phenyl-1H-quinolin-4-one...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccccc1
Show InChI InChI=1S/C19H14N2O3/c1-23-18-9-16-13(7-14(18)19-10-20-11-24-19)17(22)8-15(21-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of inosine-5'-monophosphate dehydrogenase 2.


Bioorg Med Chem Lett 13: 2059-63 (2003)


Article DOI: 10.1016/s0960-894x(03)00258-0
BindingDB Entry DOI: 10.7270/Q22Z14X1
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50123324
PNG
(7-Methoxy-6-oxazol-5-yl-2-phenyl-1H-quinolin-4-one...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccccc1
Show InChI InChI=1S/C19H14N2O3/c1-23-18-9-16-13(7-14(18)19-10-20-11-24-19)17(22)8-15(21-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibition of 5'-inosine monophosphate dehydrogenase type II (IMPDH II)


Bioorg Med Chem Lett 13: 1273-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00109-4
BindingDB Entry DOI: 10.7270/Q2T1530J
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054042
PNG
((E)-6-(4-Hydroxy-7-methyl-3-oxo-6-vinyl-1,3-dihydr...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(O)c2C(=O)OCc2c(C)c1C=C
Show InChI InChI=1S/C18H20O5/c1-4-12-11(3)14-9-23-18(22)16(14)17(21)13(12)7-5-10(2)6-8-15(19)20/h4-5,21H,1,6-9H2,2-3H3,(H,19,20)/b10-5+
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n/an/a 8.51n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50123320
PNG
(7-Methoxy-6-oxazol-5-yl-2-thiophen-3-yl-1H-quinoli...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccsc1
Show InChI InChI=1S/C17H12N2O3S/c1-21-16-6-14-11(4-12(16)17-7-18-9-22-17)15(20)5-13(19-14)10-2-3-23-8-10/h2-9H,1H3,(H,19,20)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibition of human inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 543-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00944-7
BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50102249
PNG
((S)-tetrahydrofuran-3-yl 3-(3-(3-methoxy-4-(oxazol...)
Show SMILES COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1
Show InChI InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human inosine-5'-monophosphate dehydrogenase 2


J Med Chem 45: 2127-30 (2002)


Article DOI: 10.1021/jm0105777
BindingDB Entry DOI: 10.7270/Q21R6R71
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(Homo sapiens (Human))
BDBM50222632
PNG
(CHEMBL356236)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc2CCCC(=O)c2c1
Show InChI InChI=1S/C23H18N2O4/c1-28-22-10-19-16(8-17(22)23-11-24-12-29-23)21(27)9-18(25-19)14-6-5-13-3-2-4-20(26)15(13)7-14/h5-12H,2-4H2,1H3,(H,25,27)
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n/an/a<10n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 547-51 (2003)


Article DOI: 10.1016/s0960-894x(02)00945-9
BindingDB Entry DOI: 10.7270/Q2NS0T7H
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00132-4
BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50102249
PNG
((S)-tetrahydrofuran-3-yl 3-(3-(3-methoxy-4-(oxazol...)
Show SMILES COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1
Show InChI InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 547-51 (2003)


Article DOI: 10.1016/s0960-894x(02)00945-9
BindingDB Entry DOI: 10.7270/Q2NS0T7H
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM19283
PNG
(Acridone-Based Inhibitor, 4g | N-{2-[4-(dimethylsu...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
Show InChI InChI=1S/C25H24FN3O4S/c1-25(2,15-9-11-16(12-10-15)34(32,33)29(3)4)28-24(31)18-14-22-19(13-20(18)26)23(30)17-7-5-6-8-21(17)27-22/h5-14H,1-4H3,(H,27,30)(H,28,31)
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n/an/a 10n/a 660n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of inosine-5'-monophosphate dehydrogenase 2.


Bioorg Med Chem Lett 13: 2059-63 (2003)


Article DOI: 10.1016/s0960-894x(03)00258-0
BindingDB Entry DOI: 10.7270/Q22Z14X1
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50113219
PNG
(CHEMBL68075 | N-{2-[2-(3-Methoxy-4-oxazol-5-yl-phe...)
Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)Cn2cccn2)ccc1-c1cnco1
Show InChI InChI=1S/C25H22N6O4/c1-30(24(32)15-31-11-5-10-28-31)20-7-4-3-6-18(20)23-14-27-25(35-23)29-17-8-9-19(21(12-17)33-2)22-13-26-16-34-22/h3-14,16H,15H2,1-2H3,(H,27,29)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human inosine-5'-monophosphate dehydrogenase 2


J Med Chem 45: 2127-30 (2002)


Article DOI: 10.1021/jm0105777
BindingDB Entry DOI: 10.7270/Q21R6R71
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50120535
PNG
(1-(3-Oxazol-5-yl-1H-indol-6-yl)-3-p-tolyl-urea | C...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc3c(c[nH]c3c2)-c2cnco2)cc1
Show InChI InChI=1S/C19H16N4O2/c1-12-2-4-13(5-3-12)22-19(24)23-14-6-7-15-16(9-21-17(15)8-14)18-10-20-11-25-18/h2-11,21H,1H3,(H2,22,23,24)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50102249
PNG
((S)-tetrahydrofuran-3-yl 3-(3-(3-methoxy-4-(oxazol...)
Show SMILES COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1
Show InChI InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM19264
PNG
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
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n/an/a 11n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM19292
PNG
(2-fluoro-N-{2-[5-methyl-6-(morpholin-4-yl)pyridin-...)
Show SMILES Cc1cc(cnc1N1CCOCC1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
Show InChI InChI=1S/C27H27FN4O3/c1-16-12-17(15-29-25(16)32-8-10-35-11-9-32)27(2,3)31-26(34)19-14-23-20(13-21(19)28)24(33)18-6-4-5-7-22(18)30-23/h4-7,12-15H,8-11H2,1-3H3,(H,30,33)(H,31,34)
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n/an/a 11n/a 870n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50123350
PNG
(CHEMBL423952 | Dimethyl-carbamic acid 6-(7-methoxy...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc2CCC(OC(=O)N(C)C)c2c1
Show InChI InChI=1S/C25H23N3O5/c1-28(2)25(30)33-22-7-6-14-4-5-15(8-16(14)22)19-10-21(29)17-9-18(24-12-26-13-32-24)23(31-3)11-20(17)27-19/h4-5,8-13,22H,6-7H2,1-3H3,(H,27,29)
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Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 547-51 (2003)


Article DOI: 10.1016/s0960-894x(02)00945-9
BindingDB Entry DOI: 10.7270/Q2NS0T7H
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM19277
PNG
(2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-9,10-dihydr...)
Show SMILES CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccccc1
Show InChI InChI=1S/C23H19FN2O2/c1-23(2,14-8-4-3-5-9-14)26-22(28)16-13-20-17(12-18(16)24)21(27)15-10-6-7-11-19(15)25-20/h3-13H,1-2H3,(H,25,27)(H,26,28)
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n/an/a 11n/a 830n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM19279
PNG
(2-fluoro-9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,1...)
Show SMILES CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cccnc1
Show InChI InChI=1S/C22H18FN3O2/c1-22(2,13-6-5-9-24-12-13)26-21(28)15-11-19-16(10-17(15)23)20(27)14-7-3-4-8-18(14)25-19/h3-12H,1-2H3,(H,25,27)(H,26,28)
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n/an/a 11n/a 420n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50120535
PNG
(1-(3-Oxazol-5-yl-1H-indol-6-yl)-3-p-tolyl-urea | C...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc3c(c[nH]c3c2)-c2cnco2)cc1
Show InChI InChI=1S/C19H16N4O2/c1-12-2-4-13(5-3-12)22-19(24)23-14-6-7-15-16(9-21-17(15)8-14)18-10-20-11-25-18/h2-11,21H,1H3,(H2,22,23,24)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined


Bioorg Med Chem Lett 12: 3305-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00748-5
BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM19264
PNG
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
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n/an/a 12n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 expressed in Escherichia coli strain BL21(DE3) after 60 mins


Bioorg Med Chem 18: 8106-11 (2010)


Article DOI: 10.1016/j.bmc.2010.09.004
BindingDB Entry DOI: 10.7270/Q2Q52PWJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50113230
PNG
(BMS-337197 | CHEMBL64830 | N-{2-[2-(3-Methoxy-4-ox...)
Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)CN2CCOCC2)ccc1-c1cnco1
Show InChI InChI=1S/C26H27N5O5/c1-30(25(32)16-31-9-11-34-12-10-31)21-6-4-3-5-19(21)24-15-28-26(36-24)29-18-7-8-20(22(13-18)33-2)23-14-27-17-35-23/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,28,29)
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PubMed
n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human inosine-5'-monophosphate dehydrogenase 2


J Med Chem 45: 2127-30 (2002)


Article DOI: 10.1021/jm0105777
BindingDB Entry DOI: 10.7270/Q21R6R71
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50123376
PNG
(7-Methoxy-2-(3-methylamino-indan-5-yl)-6-oxazol-5-...)
Show SMILES CNC1CCc2ccc(cc12)-c1cc(O)c2cc(-c3cnco3)c(OC)cc2n1
Show InChI InChI=1S/C23H21N3O3/c1-24-18-6-5-13-3-4-14(7-15(13)18)19-9-21(27)16-8-17(23-11-25-12-29-23)22(28-2)10-20(16)26-19/h3-4,7-12,18,24H,5-6H2,1-2H3,(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 547-51 (2003)


Article DOI: 10.1016/s0960-894x(02)00945-9
BindingDB Entry DOI: 10.7270/Q2NS0T7H
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50123348
PNG
(2-Methoxy-N-[6-(7-methoxy-6-oxazol-5-yl-4-oxo-1,4-...)
Show SMILES COCC(=O)N(C)C1CCc2ccc(cc12)-c1cc(O)c2cc(-c3cnco3)c(OC)cc2n1
Show InChI InChI=1S/C26H25N3O5/c1-29(26(31)13-32-2)22-7-6-15-4-5-16(8-17(15)22)20-10-23(30)18-9-19(25-12-27-14-34-25)24(33-3)11-21(18)28-20/h4-5,8-12,14,22H,6-7,13H2,1-3H3,(H,28,30)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 547-51 (2003)


Article DOI: 10.1016/s0960-894x(02)00945-9
BindingDB Entry DOI: 10.7270/Q2NS0T7H
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM19281
PNG
(2-fluoro-N-[2-(4-methanesulfonylphenyl)propan-2-yl...)
Show SMILES CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H21FN2O4S/c1-24(2,14-8-10-15(11-9-14)32(3,30)31)27-23(29)17-13-21-18(12-19(17)25)22(28)16-6-4-5-7-20(16)26-21/h4-13H,1-3H3,(H,26,28)(H,27,29)
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PubMed
n/an/a 12n/a 480n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM19282
PNG
(2-fluoro-N-[2-(3-methanesulfonylphenyl)propan-2-yl...)
Show SMILES CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C24H21FN2O4S/c1-24(2,14-7-6-8-15(11-14)32(3,30)31)27-23(29)17-13-21-18(12-19(17)25)22(28)16-9-4-5-10-20(16)26-21/h4-13H,1-3H3,(H,26,28)(H,27,29)
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PubMed
n/an/a 12n/a 580n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054021
PNG
((E)-6-(6-Ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydr...)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C18H22O5/c1-4-12-11(3)14-9-23-18(22)16(14)17(21)13(12)7-5-10(2)6-8-15(19)20/h5,21H,4,6-9H2,1-3H3,(H,19,20)/b10-5+
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PubMed
n/an/a 12.6n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50185589
PNG
((E)-2-(4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dih...)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CNCCP(O)(O)=O
Show InChI InChI=1S/C18H26NO6P/c1-4-13-12(3)15-10-25-18(21)16(15)17(20)14(13)6-5-11(2)9-19-7-8-26(22,23)24/h5,19-20H,4,6-10H2,1-3H3,(H2,22,23,24)
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n/an/a 13n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50113215
PNG
(CHEMBL67036 | N-{2-[2-(3-Methoxy-4-oxazol-5-yl-phe...)
Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)CCN2CCOCC2)ccc1-c1cnco1
Show InChI InChI=1S/C27H29N5O5/c1-31(26(33)9-10-32-11-13-35-14-12-32)22-6-4-3-5-20(22)25-17-29-27(37-25)30-19-7-8-21(23(15-19)34-2)24-16-28-18-36-24/h3-8,15-18H,9-14H2,1-2H3,(H,29,30)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human inosine-5'-monophosphate dehydrogenase 2


J Med Chem 45: 2127-30 (2002)


Article DOI: 10.1021/jm0105777
BindingDB Entry DOI: 10.7270/Q21R6R71
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50160371
PNG
(7-Methoxy-6-oxazol-5-yl-3-(2-pyridin-4-yl-ethyl)-2...)
Show SMILES COc1cc2[nH]c(=S)n(CCc3ccncc3)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C19H16N4O3S/c1-25-16-9-15-13(8-14(16)17-10-21-11-26-17)18(24)23(19(27)22-15)7-4-12-2-5-20-6-3-12/h2-3,5-6,8-11H,4,7H2,1H3,(H,22,27)
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n/an/a 13n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50123361
PNG
(7-Methoxy-6-oxazol-5-yl-2-(3-pyrrolidin-1-yl-indan...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc2CCC(N3CCCC3)c2c1
Show InChI InChI=1S/C26H25N3O3/c1-31-25-13-22-19(11-20(25)26-14-27-15-32-26)24(30)12-21(28-22)17-5-4-16-6-7-23(18(16)10-17)29-8-2-3-9-29/h4-5,10-15,23H,2-3,6-9H2,1H3,(H,28,30)
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 547-51 (2003)


Article DOI: 10.1016/s0960-894x(02)00945-9
BindingDB Entry DOI: 10.7270/Q2NS0T7H
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50113233
PNG
(CHEMBL66614 | N-{2-[2-(3-Methoxy-4-oxazol-5-yl-phe...)
Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)Cn2cncn2)ccc1-c1cnco1
Show InChI InChI=1S/C24H21N7O4/c1-30(23(32)12-31-14-26-13-28-31)19-6-4-3-5-17(19)22-11-27-24(35-22)29-16-7-8-18(20(9-16)33-2)21-10-25-15-34-21/h3-11,13-15H,12H2,1-2H3,(H,27,29)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human inosine-5'-monophosphate dehydrogenase 2


J Med Chem 45: 2127-30 (2002)


Article DOI: 10.1021/jm0105777
BindingDB Entry DOI: 10.7270/Q21R6R71
More data for this
Ligand-Target Pair
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