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Compile Data Set for Download or QSAR

Found 308 hits with Last Name = 'hollenbaugh' and Initial = 'dl'   
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))
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))
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))
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))
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)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
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))
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))
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)


BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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)


BindingDB Entry DOI: 10.7270/Q2J67G94
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 5'-inosine monophosphate dehydrogenase type II (IMPDH II)


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


BindingDB Entry DOI: 10.7270/Q2T1530J
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 Pharmaceutical Research Institute

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q22Z14X1
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))
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)


BindingDB Entry DOI: 10.7270/Q21R6R71
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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)


BindingDB Entry DOI: 10.7270/Q22Z14X1
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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)


BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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)


BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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)


BindingDB Entry DOI: 10.7270/Q21R6R71
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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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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)


BindingDB Entry DOI: 10.7270/Q21R6R71
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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)


BindingDB Entry DOI: 10.7270/Q21R6R71
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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)


BindingDB Entry DOI: 10.7270/Q21R6R71
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))
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



TBA

Curated by ChEMBL


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


J Med Chem 45: 2127-30 (2002)


BindingDB Entry DOI: 10.7270/Q21R6R71
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50113227
PNG
(2-Dimethylamino-N-{2-[2-(3-methoxy-4-oxazol-5-yl-p...)
Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)CN(C)C)ccc1-c1cnco1
Show InChI InChI=1S/C24H25N5O4/c1-28(2)14-23(30)29(3)19-8-6-5-7-17(19)22-13-26-24(33-22)27-16-9-10-18(20(11-16)31-4)21-12-25-15-32-21/h5-13,15H,14H2,1-4H3,(H,26,27)
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n/an/a 15n/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)


BindingDB Entry DOI: 10.7270/Q21R6R71
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 15n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.


Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 15n/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: 2137-40 (2002)


BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 15n/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)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 15n/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)


BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50113224
PNG
((3-Methoxy-4-oxazol-5-yl-phenyl)-(5-phenyl-oxazol-...)
Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C19H15N3O3/c1-23-16-9-14(7-8-15(16)18-10-20-12-24-18)22-19-21-11-17(25-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,22)
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n/an/a 16n/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)


BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50119113
PNG
(1-{3-[N'-(3-Methoxy-4-oxazol-5-yl-phenyl)-N''-cyan...)
Show SMILES COc1cc(NC(Nc2cccc(CN=C(NC#N)Oc3ccccc3)c2)=NC#N)ccc1-c1cnco1 |w:27.29,14.13|
Show InChI InChI=1S/C27H22N8O3/c1-36-24-13-21(10-11-23(24)25-15-30-18-37-25)35-26(32-16-28)34-20-7-5-6-19(12-20)14-31-27(33-17-29)38-22-8-3-2-4-9-22/h2-13,15,18H,14H2,1H3,(H,31,33)(H2,32,34,35)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.


Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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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n/an/a 16n/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)


BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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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n/an/a 16n/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)


BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(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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n/an/a 16n/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)


BindingDB Entry DOI: 10.7270/Q22Z14X1
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50113216
PNG
(CHEMBL302967 | N-{2-[2-(3-Methoxy-4-oxazol-5-yl-ph...)
Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)CN2CCN(C)CC2)ccc1-c1cnco1
Show InChI InChI=1S/C27H30N6O4/c1-31-10-12-33(13-11-31)17-26(34)32(2)22-7-5-4-6-20(22)25-16-29-27(37-25)30-19-8-9-21(23(14-19)35-3)24-15-28-18-36-24/h4-9,14-16,18H,10-13,17H2,1-3H3,(H,29,30)
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n/an/a 17n/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)


BindingDB Entry DOI: 10.7270/Q21R6R71
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50116130
PNG
(4-(3-Methoxy-4-oxazol-5-yl-phenylamino)-6-phenyl-[...)
Show SMILES COc1cc(Nc2nc(nc(=O)[nH]2)-c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C19H15N5O3/c1-26-15-9-13(7-8-14(15)16-10-20-11-27-16)21-18-22-17(23-19(25)24-18)12-5-3-2-4-6-12/h2-11H,1H3,(H2,21,22,23,24,25)
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n/an/a 18n/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: 2137-40 (2002)


BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50126276
PNG
(1-Isoquinolin-6-yl-3-m-tolyl-urea | CHEMBL27948)
Show SMILES Cc1cccc(NC(=O)Nc2ccc3cnccc3c2)c1
Show InChI InChI=1S/C17H15N3O/c1-12-3-2-4-15(9-12)19-17(21)20-16-6-5-14-11-18-8-7-13(14)10-16/h2-11H,1H3,(H2,19,20,21)
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n/an/a 18n/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)


BindingDB Entry DOI: 10.7270/Q2CV4H3Q
More data for this
Ligand-Target Pair
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))
BDBM50113213
PNG
(CHEMBL306453 | N-{2-[2-(3-Methoxy-4-oxazol-5-yl-ph...)
Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(C)=O)ccc1-c1cnco1
Show InChI InChI=1S/C22H20N4O4/c1-14(27)26(2)18-7-5-4-6-16(18)21-12-24-22(30-21)25-15-8-9-17(19(10-15)28-3)20-11-23-13-29-20/h4-13H,1-3H3,(H,24,25)
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n/an/a 18n/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)


BindingDB Entry DOI: 10.7270/Q21R6R71
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 Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.


Bioorg Med Chem Lett 12: 2931-4 (2002)


BindingDB Entry DOI: 10.7270/Q2SB454K
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 Pharmaceutical Research Institute

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q22Z14X1
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))
BDBM50113224
PNG
((3-Methoxy-4-oxazol-5-yl-phenyl)-(5-phenyl-oxazol-...)
Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C19H15N3O3/c1-23-16-9-14(7-8-15(16)18-10-20-12-24-18)22-19-21-11-17(25-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,22)
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n/an/a 20n/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)


BindingDB Entry DOI: 10.7270/Q22Z14X1
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50113224
PNG
((3-Methoxy-4-oxazol-5-yl-phenyl)-(5-phenyl-oxazol-...)
Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C19H15N3O3/c1-23-16-9-14(7-8-15(16)18-10-20-12-24-18)22-19-21-11-17(25-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,22)
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n/an/a 20n/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)


BindingDB Entry DOI: 10.7270/Q21R6R71
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50113229
PNG
(2-tert-Butylamino-N-{2-[2-(3-methoxy-4-oxazol-5-yl...)
Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)CNC(C)(C)C)ccc1-c1cnco1
Show InChI InChI=1S/C26H29N5O4/c1-26(2,3)29-15-24(32)31(4)20-9-7-6-8-18(20)23-14-28-25(35-23)30-17-10-11-19(21(12-17)33-5)22-13-27-16-34-22/h6-14,16,29H,15H2,1-5H3,(H,28,30)
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n/an/a 20n/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)


BindingDB Entry DOI: 10.7270/Q21R6R71
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50129116
PNG
(2-Hydroxy-N-{2-[2-(3-methoxy-4-oxazol-5-yl-phenyla...)
Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)CO)ccc1-c1cnco1
Show InChI InChI=1S/C22H20N4O5/c1-26(21(28)12-27)17-6-4-3-5-15(17)20-11-24-22(31-20)25-14-7-8-16(18(9-14)29-2)19-10-23-13-30-19/h3-11,13,27H,12H2,1-2H3,(H,24,25)
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n/an/a 21n/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)


BindingDB Entry DOI: 10.7270/Q22Z14X1
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50129109
PNG
(CHEMBL62748 | N-{2-[2-(3-Bromo-4-oxazol-5-yl-pheny...)
Show SMILES CN(C(=O)CO)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(Br)c2)o1
Show InChI InChI=1S/C21H17BrN4O4/c1-26(20(28)11-27)17-5-3-2-4-15(17)19-10-24-21(30-19)25-13-6-7-14(16(22)8-13)18-9-23-12-29-18/h2-10,12,27H,11H2,1H3,(H,24,25)
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n/an/a 21n/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)


BindingDB Entry DOI: 10.7270/Q22Z14X1
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50113225
PNG
(CHEMBL305977 | N-{2-[2-(3-Methoxy-4-oxazol-5-yl-ph...)
Show SMILES CNCC(=O)N(C)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(OC)c2)o1
Show InChI InChI=1S/C23H23N5O4/c1-24-13-22(29)28(2)18-7-5-4-6-16(18)21-12-26-23(32-21)27-15-8-9-17(19(10-15)30-3)20-11-25-14-31-20/h4-12,14,24H,13H2,1-3H3,(H,26,27)
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n/an/a 22n/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)


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