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PubMed code 12565968

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
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 2


(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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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against IMPDH II with respect to IMP and NAD


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


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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 14n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123319
PNG
(2-(3-Hydroxy-phenyl)-7-methoxy-6-oxazol-5-yl-1H-qu...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1cccc(O)c1
Show InChI InChI=1S/C19H14N2O4/c1-24-18-8-16-13(6-14(18)19-9-20-10-25-19)17(23)7-15(21-16)11-3-2-4-12(22)5-11/h2-10,22H,1H3,(H,21,23)
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n/an/a 18n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123316
PNG
(2-(3-Bromo-4-methyl-phenyl)-7-methoxy-6-oxazol-5-y...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(C)c(Br)c1
Show InChI InChI=1S/C20H15BrN2O3/c1-11-3-4-12(5-15(11)21)16-7-18(24)13-6-14(20-9-22-10-26-20)19(25-2)8-17(13)23-16/h3-10H,1-2H3,(H,23,24)
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n/an/a 19n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50119045
PNG
(1-(3-Methoxy-4-oxazol-5-yl-phenyl)-3-m-tolyl-urea ...)
Show SMILES COc1cc(NC(=O)Nc2cccc(C)c2)ccc1-c1cnco1
Show InChI InChI=1S/C18H17N3O3/c1-12-4-3-5-13(8-12)20-18(22)21-14-6-7-15(16(9-14)23-2)17-10-19-11-24-17/h3-11H,1-2H3,(H2,20,21,22)
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n/an/a 19n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123329
PNG
(2-(3-Bromo-phenyl)-7-methoxy-6-oxazol-5-yl-1H-quin...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1cccc(Br)c1
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)11-3-2-4-12(20)5-11/h2-10H,1H3,(H,22,23)
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n/an/a 22n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123318
PNG
(2-(2,5-Dimethyl-phenyl)-7-methoxy-6-oxazol-5-yl-1H...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1cc(C)ccc1C
Show InChI InChI=1S/C21H18N2O3/c1-12-4-5-13(2)14(6-12)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 29n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123328
PNG
(2-Furan-3-yl-7-methoxy-6-oxazol-5-yl-1H-quinolin-4...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccoc1
Show InChI InChI=1S/C17H12N2O4/c1-21-16-6-14-11(4-12(16)17-7-18-9-23-17)15(20)5-13(19-14)10-2-3-22-8-10/h2-9H,1H3,(H,19,20)
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n/an/a 32n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123326
PNG
(7-Methoxy-6-oxazol-5-yl-2-thiazol-4-yl-1H-quinolin...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1cscn1
Show InChI InChI=1S/C16H11N3O3S/c1-21-15-4-11-9(2-10(15)16-5-17-7-22-16)14(20)3-12(19-11)13-6-23-8-18-13/h2-8H,1H3,(H,19,20)
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n/an/a 34n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123334
PNG
(2-(4-Hydroxy-phenyl)-7-methoxy-6-oxazol-5-yl-1H-qu...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H14N2O4/c1-24-18-8-16-13(6-14(18)19-9-20-10-25-19)17(23)7-15(21-16)11-2-4-12(22)5-3-11/h2-10,22H,1H3,(H,21,23)
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n/an/a 43n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123327
PNG
(7-Methoxy-6-oxazol-5-yl-2-pyridin-2-yl-1H-quinolin...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccccn1
Show InChI InChI=1S/C18H13N3O3/c1-23-17-8-14-11(6-12(17)18-9-19-10-24-18)16(22)7-15(21-14)13-4-2-3-5-20-13/h2-10H,1H3,(H,21,22)
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n/an/a 43n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1


(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 46n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I


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


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123331
PNG
(7-Methoxy-6-oxazol-5-yl-2-pyridin-4-yl-1H-quinolin...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccncc1
Show InChI InChI=1S/C18H13N3O3/c1-23-17-8-15-12(6-13(17)18-9-20-10-24-18)16(22)7-14(21-15)11-2-4-19-5-3-11/h2-10H,1H3,(H,21,22)
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n/an/a 46n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1


(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 55n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I


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


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1


(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 55n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I


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


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1


(Homo sapiens (Human))
BDBM50119045
PNG
(1-(3-Methoxy-4-oxazol-5-yl-phenyl)-3-m-tolyl-urea ...)
Show SMILES COc1cc(NC(=O)Nc2cccc(C)c2)ccc1-c1cnco1
Show InChI InChI=1S/C18H17N3O3/c1-12-4-3-5-13(8-12)20-18(22)21-14-6-7-15(16(9-14)23-2)17-10-19-11-24-17/h3-11H,1-2H3,(H2,20,21,22)
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n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I


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


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123340
PNG
(7-Methoxy-6-oxazol-5-yl-2-thiophen-2-yl-1H-quinoli...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1cccs1
Show InChI InChI=1S/C17H12N2O3S/c1-21-15-7-12-10(5-11(15)16-8-18-9-22-16)14(20)6-13(19-12)17-3-2-4-23-17/h2-9H,1H3,(H,19,20)
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n/an/a 63n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123342
PNG
(7-Methoxy-3-methyl-6-oxazol-5-yl-2-phenyl-1H-quino...)
Show SMILES COc1cc2nc(-c3ccccc3)c(C)c(O)c2cc1-c1cnco1
Show InChI InChI=1S/C20H16N2O3/c1-12-19(13-6-4-3-5-7-13)22-16-9-17(24-2)15(8-14(16)20(12)23)18-10-21-11-25-18/h3-11H,1-2H3,(H,22,23)
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n/an/a 65n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123323
PNG
(7-Methoxy-6-oxazol-5-yl-2-o-tolyl-1H-quinolin-4-on...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccccc1C
Show InChI InChI=1S/C20H16N2O3/c1-12-5-3-4-6-13(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 65n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123338
PNG
(7-Methoxy-6-oxazol-5-yl-2-pyridin-3-yl-1H-quinolin...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1cccnc1
Show InChI InChI=1S/C18H13N3O3/c1-23-17-7-15-12(5-13(17)18-9-20-10-24-18)16(22)6-14(21-15)11-3-2-4-19-8-11/h2-10H,1H3,(H,21,22)
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n/an/a 70n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1


(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 83n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I


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


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1


(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 90n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I


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


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1


(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 99n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I


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


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123336
PNG
(7-Methoxy-2-methyl-6-oxazol-5-yl-1H-quinolin-4-one...)
Show SMILES COc1cc2nc(C)cc(O)c2cc1-c1cnco1
Show InChI InChI=1S/C14H12N2O3/c1-8-3-12(17)9-4-10(14-6-15-7-19-14)13(18-2)5-11(9)16-8/h3-7H,1-2H3,(H,16,17)
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n/an/a 110n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1


(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 150n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I


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


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123322
PNG
(2-(3-Methanesulfonyl-phenyl)-7-methoxy-6-oxazol-5-...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C20H16N2O5S/c1-26-19-9-17-14(7-15(19)20-10-21-11-27-20)18(23)8-16(22-17)12-4-3-5-13(6-12)28(2,24)25/h3-11H,1-2H3,(H,22,23)
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n/an/a 160n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123339
PNG
(3-(7-Methoxy-6-oxazol-5-yl-4-oxo-1,4-dihydro-quino...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H14N2O5/c1-26-18-8-16-13(6-14(18)19-9-21-10-27-19)17(23)7-15(22-16)11-3-2-4-12(5-11)20(24)25/h2-10H,1H3,(H,22,23)(H,24,25)
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n/an/a 160n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123337
PNG
(2-Benzyl-7-methoxy-6-oxazol-5-yl-1H-quinolin-4-one...)
Show SMILES COc1cc2nc(Cc3ccccc3)cc(O)c2cc1-c1cnco1
Show InChI InChI=1S/C20H16N2O3/c1-24-19-10-17-15(9-16(19)20-11-21-12-25-20)18(23)8-14(22-17)7-13-5-3-2-4-6-13/h2-6,8-12H,7H2,1H3,(H,22,23)
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n/an/a 180n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123330
PNG
(2-Dimethylamino-7-methoxy-6-oxazol-5-yl-1H-quinoli...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)N(C)C
Show InChI InChI=1S/C15H15N3O3/c1-18(2)15-6-12(19)9-4-10(14-7-16-8-21-14)13(20-3)5-11(9)17-15/h4-8H,1-3H3,(H,17,19)
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n/an/a 200n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123343
PNG
(7-Methoxy-2-methylamino-6-oxazol-5-yl-1H-quinolin-...)
Show SMILES CNc1cc(O)c2cc(-c3cnco3)c(OC)cc2n1
Show InChI InChI=1S/C14H13N3O3/c1-15-14-5-11(18)8-3-9(13-6-16-7-20-13)12(19-2)4-10(8)17-14/h3-7H,1-2H3,(H2,15,17,18)
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n/an/a 220n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123325
PNG
(7-Methoxy-6-oxazol-5-yl-1H-quinolin-4-one | CHEMBL...)
Show SMILES COc1cc2nccc(O)c2cc1-c1cnco1
Show InChI InChI=1S/C13H10N2O3/c1-17-12-5-10-8(11(16)2-3-15-10)4-9(12)13-6-14-7-18-13/h2-7H,1H3,(H,15,16)
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n/an/a 300n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123341
PNG
(4-(7-Methoxy-6-oxazol-5-yl-4-oxo-1,4-dihydro-quino...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H14N2O5/c1-26-18-8-16-13(6-14(18)19-9-21-10-27-19)17(23)7-15(22-16)11-2-4-12(5-3-11)20(24)25/h2-10H,1H3,(H,22,23)(H,24,25)
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n/an/a>1.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50123344
PNG
(2-tert-Butyl-7-methoxy-6-oxazol-5-yl-1H-quinolin-4...)
Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)C(C)(C)C
Show InChI InChI=1S/C17H18N2O3/c1-17(2,3)16-7-13(20)10-5-11(15-8-18-9-22-15)14(21-4)6-12(10)19-16/h5-9H,1-4H3,(H,19,20)
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n/an/a>1.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%