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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50012210   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116146
PNG
((4-Benzyloxy-6-phenyl-[1,3,5]triazin-2-yl)-(3-meth...)
Show SMILES COc1cc(Nc2nc(OCc3ccccc3)nc(n2)-c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C26H21N5O3/c1-32-22-14-20(12-13-21(22)23-15-27-17-34-23)28-25-29-24(19-10-6-3-7-11-19)30-26(31-25)33-16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H,28,29,30,31)
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n/an/a 32n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116132
PNG
((3-Methoxy-4-oxazol-5-yl-phenyl)-(4-methoxy-6-phen...)
Show SMILES COc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C20H17N5O3/c1-26-16-10-14(8-9-15(16)17-11-21-12-28-17)22-19-23-18(24-20(25-19)27-2)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,23,24,25)
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n/an/a 41n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116131
PNG
(CHEMBL66782 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-6...)
Show SMILES COc1cc(Nc2nc(N)nc(n2)-c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C19H16N6O2/c1-26-15-9-13(7-8-14(15)16-10-21-11-27-16)22-19-24-17(23-18(20)25-19)12-5-3-2-4-6-12/h2-11H,1H3,(H3,20,22,23,24,25)
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n/an/a 54n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116148
PNG
(6-Furan-2-yl-N-(3-methoxy-4-oxazol-5-yl-phenyl)-N'...)
Show SMILES CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)-c1ccco1
Show InChI InChI=1S/C18H16N6O3/c1-19-17-22-16(13-4-3-7-26-13)23-18(24-17)21-11-5-6-12(14(8-11)25-2)15-9-20-10-27-15/h3-10H,1-2H3,(H2,19,21,22,23,24)
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n/an/a 57n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116136
PNG
(CHEMBL444052 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-...)
Show SMILES COc1cc(Nc2nc(NCCc3cccnc3)nc(n2)-c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C26H23N7O2/c1-34-22-14-20(9-10-21(22)23-16-28-17-35-23)30-26-32-24(19-7-3-2-4-8-19)31-25(33-26)29-13-11-18-6-5-12-27-15-18/h2-10,12,14-17H,11,13H2,1H3,(H2,29,30,31,32,33)
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n/an/a 58n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116143
PNG
(CHEMBL67839 | {(S)-1-[4-(3-Methoxy-4-oxazol-5-yl-p...)
Show SMILES COc1cc(Nc2nc(nc(n2)-c2ccccc2)N2CCC[C@H]2CO)ccc1-c1cnco1
Show InChI InChI=1S/C24H24N6O3/c1-32-20-12-17(9-10-19(20)21-13-25-15-33-21)26-23-27-22(16-6-3-2-4-7-16)28-24(29-23)30-11-5-8-18(30)14-31/h2-4,6-7,9-10,12-13,15,18,31H,5,8,11,14H2,1H3,(H,26,27,28,29)/t18-/m0/s1
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n/an/a 72n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116124
PNG
(CHEMBL433062 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-...)
Show SMILES CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C20H18N6O2/c1-21-19-24-18(13-6-4-3-5-7-13)25-20(26-19)23-14-8-9-15(16(10-14)27-2)17-11-22-12-28-17/h3-12H,1-2H3,(H2,21,23,24,25,26)
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n/an/a 76n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116145
PNG
(4-[4-(3-Methoxy-4-oxazol-5-yl-phenylamino)-6-pheny...)
Show SMILES COc1cc(Nc2nc(NCCCC(O)=O)nc(n2)-c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C23H22N6O4/c1-32-18-12-16(9-10-17(18)19-13-24-14-33-19)26-23-28-21(15-6-3-2-4-7-15)27-22(29-23)25-11-5-8-20(30)31/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H,30,31)(H2,25,26,27,28,29)
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n/an/a 78n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116139
PNG
(CHEMBL303608 | {(R)-1-[4-(3-Methoxy-4-oxazol-5-yl-...)
Show SMILES COc1cc(Nc2nc(nc(n2)-c2ccccc2)N2CCC[C@@H]2CO)ccc1-c1cnco1
Show InChI InChI=1S/C24H24N6O3/c1-32-20-12-17(9-10-19(20)21-13-25-15-33-21)26-23-27-22(16-6-3-2-4-7-16)28-24(29-23)30-11-5-8-18(30)14-31/h2-4,6-7,9-10,12-13,15,18,31H,5,8,11,14H2,1H3,(H,26,27,28,29)/t18-/m1/s1
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n/an/a 78n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116137
PNG
(CHEMBL420547 | {(S)-1-[4-(3-Methoxy-4-oxazol-5-yl-...)
Show SMILES CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H23N7O3/c1-20-17-23-18(25-19(24-17)26-7-3-4-13(26)10-27)22-12-5-6-14(15(8-12)28-2)16-9-21-11-29-16/h5-6,8-9,11,13,27H,3-4,7,10H2,1-2H3,(H2,20,22,23,24,25)/t13-/m0/s1
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n/an/a 130n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116134
PNG
(CHEMBL305059 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-...)
Show SMILES CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)-c1cccc(C)c1
Show InChI InChI=1S/C21H20N6O2/c1-13-5-4-6-14(9-13)19-25-20(22-2)27-21(26-19)24-15-7-8-16(17(10-15)28-3)18-11-23-12-29-18/h4-12H,1-3H3,(H2,22,24,25,26,27)
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n/an/a 130n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116149
PNG
(3-[4-(3-Methoxy-4-oxazol-5-yl-phenylamino)-6-pheny...)
Show SMILES COc1cc(Nc2nc(NCCC(O)=O)nc(n2)-c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C22H20N6O4/c1-31-17-11-15(7-8-16(17)18-12-23-13-32-18)25-22-27-20(14-5-3-2-4-6-14)26-21(28-22)24-10-9-19(29)30/h2-8,11-13H,9-10H2,1H3,(H,29,30)(H2,24,25,26,27,28)
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n/an/a 130n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116129
PNG
(CHEMBL307547 | N*3*-(3-Methoxy-4-oxazol-5-yl-pheny...)
Show SMILES COc1cc(Nc2nc(N)n(n2)-c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C18H16N6O2/c1-25-15-9-12(7-8-14(15)16-10-20-11-26-16)21-18-22-17(19)24(23-18)13-5-3-2-4-6-13/h2-11H,1H3,(H3,19,21,22,23)
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n/an/a 150n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116141
PNG
(CHEMBL305214 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-...)
Show SMILES CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C18H21N7O3/c1-19-16-22-17(24-18(23-16)25-5-7-27-8-6-25)21-12-3-4-13(14(9-12)26-2)15-10-20-11-28-15/h3-4,9-11H,5-8H2,1-2H3,(H2,19,21,22,23,24)
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n/an/a 160n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116138
PNG
(4-[4-(3-Methoxy-4-oxazol-5-yl-phenylamino)-6-pheny...)
Show SMILES COc1cc(Nc2nc(nc(n2)-c2ccccc2)N2CCN(CC2)C=O)ccc1-c1cnco1
Show InChI InChI=1S/C24H23N7O3/c1-33-20-13-18(7-8-19(20)21-14-25-15-34-21)26-23-27-22(17-5-3-2-4-6-17)28-24(29-23)31-11-9-30(16-32)10-12-31/h2-8,13-16H,9-12H2,1H3,(H,26,27,28,29)
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n/an/a 160n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116151
PNG
(CHEMBL67703 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-N...)
Show SMILES CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C21H20N6O2/c1-13-4-6-14(7-5-13)19-25-20(22-2)27-21(26-19)24-15-8-9-16(17(10-15)28-3)18-11-23-12-29-18/h4-12H,1-3H3,(H2,22,24,25,26,27)
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n/an/a 170n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116126
PNG
((3-Methoxy-4-oxazol-5-yl-phenyl)-(4-morpholin-4-yl...)
Show SMILES COc1cc(Nc2nc(nc(n2)-c2ccccc2)N2CCOCC2)ccc1-c1cnco1
Show InChI InChI=1S/C23H22N6O3/c1-30-19-13-17(7-8-18(19)20-14-24-15-32-20)25-22-26-21(16-5-3-2-4-6-16)27-23(28-22)29-9-11-31-12-10-29/h2-8,13-15H,9-12H2,1H3,(H,25,26,27,28)
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n/an/a 190n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116125
PNG
(CHEMBL68170 | [4-(3-Methoxy-4-oxazol-5-yl-phenylam...)
Show SMILES COc1cc(Nc2nc(NCC(O)=O)nc(n2)-c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C21H18N6O4/c1-30-16-9-14(7-8-15(16)17-10-22-12-31-17)24-21-26-19(13-5-3-2-4-6-13)25-20(27-21)23-11-18(28)29/h2-10,12H,11H2,1H3,(H,28,29)(H2,23,24,25,26,27)
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n/an/a 250n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116135
PNG
(CHEMBL68220 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-N...)
Show SMILES COc1cc(Nc2nc(nc(n2)-c2ccccc2)N(C)C)ccc1-c1cnco1
Show InChI InChI=1S/C21H20N6O2/c1-27(2)21-25-19(14-7-5-4-6-8-14)24-20(26-21)23-15-9-10-16(17(11-15)28-3)18-12-22-13-29-18/h4-13H,1-3H3,(H,23,24,25,26)
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n/an/a 270n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116140
PNG
(CHEMBL68146 | [4-((S)-2-Methoxymethyl-pyrrolidin-1...)
Show SMILES COC[C@@H]1CCCN1c1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C25H26N6O3/c1-32-15-19-9-6-12-31(19)25-29-23(17-7-4-3-5-8-17)28-24(30-25)27-18-10-11-20(21(13-18)33-2)22-14-26-16-34-22/h3-5,7-8,10-11,13-14,16,19H,6,9,12,15H2,1-2H3,(H,27,28,29,30)/t19-/m0/s1
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n/an/a 290n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116127
PNG
(CHEMBL65958 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-N...)
Show SMILES CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)-c1ccccc1C
Show InChI InChI=1S/C21H20N6O2/c1-13-6-4-5-7-15(13)19-25-20(22-2)27-21(26-19)24-14-8-9-16(17(10-14)28-3)18-11-23-12-29-18/h4-12H,1-3H3,(H2,22,24,25,26,27)
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n/an/a 310n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116133
PNG
((3-Methoxy-4-oxazol-5-yl-phenyl)-[4-(4-methyl-pipe...)
Show SMILES COc1cc(Nc2nc(nc(n2)-c2ccccc2)N2CCN(C)CC2)ccc1-c1cnco1
Show InChI InChI=1S/C24H25N7O2/c1-30-10-12-31(13-11-30)24-28-22(17-6-4-3-5-7-17)27-23(29-24)26-18-8-9-19(20(14-18)32-2)21-15-25-16-33-21/h3-9,14-16H,10-13H2,1-2H3,(H,26,27,28,29)
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n/an/a 330n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116128
PNG
(6-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-N-(3-metho...)
Show SMILES CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)N1CCC[C@H]1COC
Show InChI InChI=1S/C20H25N7O3/c1-21-18-24-19(26-20(25-18)27-8-4-5-14(27)11-28-2)23-13-6-7-15(16(9-13)29-3)17-10-22-12-30-17/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3,(H2,21,23,24,25,26)/t14-/m0/s1
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n/an/a 390n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116152
PNG
(CHEMBL308241 | N-Benzyl-N'-(3-methoxy-4-oxazol-5-y...)
Show SMILES COc1cc(Nc2nc(NCc3ccccc3)nc(n2)-c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C26H22N6O2/c1-33-22-14-20(12-13-21(22)23-16-27-17-34-23)29-26-31-24(19-10-6-3-7-11-19)30-25(32-26)28-15-18-8-4-2-5-9-18/h2-14,16-17H,15H2,1H3,(H2,28,29,30,31,32)
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n/an/a 410n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116150
PNG
(CHEMBL67322 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-N...)
Show SMILES CNc1nc(NC)nc(Nc2ccc(-c3cnco3)c(OC)c2)n1
Show InChI InChI=1S/C15H17N7O2/c1-16-13-20-14(17-2)22-15(21-13)19-9-4-5-10(11(6-9)23-3)12-7-18-8-24-12/h4-8H,1-3H3,(H3,16,17,19,20,21,22)
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n/an/a 620n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116144
PNG
(CHEMBL66176 | {(R)-1-[4-(3-Methoxy-4-oxazol-5-yl-p...)
Show SMILES CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)N1CCC[C@@H]1CO
Show InChI InChI=1S/C19H23N7O3/c1-20-17-23-18(25-19(24-17)26-7-3-4-13(26)10-27)22-12-5-6-14(15(8-12)28-2)16-9-21-11-29-16/h5-6,8-9,11,13,27H,3-4,7,10H2,1-2H3,(H2,20,22,23,24,25)/t13-/m1/s1
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n/an/a 720n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116147
PNG
(CHEMBL67568 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-N...)
Show SMILES COc1cc(Nc2nc(NCCc3ccccc3)nc(n2)-c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C27H24N6O2/c1-34-23-16-21(12-13-22(23)24-17-28-18-35-24)30-27-32-25(20-10-6-3-7-11-20)31-26(33-27)29-15-14-19-8-4-2-5-9-19/h2-13,16-18H,14-15H2,1H3,(H2,29,30,31,32,33)
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n/an/a>1.00E+3n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116142
PNG
((3-Methoxy-4-oxazol-5-yl-phenyl)-(5-phenyl-[1,2,4]...)
Show SMILES COc1cc(Nc2nncc(n2)-c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C19H15N5O2/c1-25-17-9-14(7-8-15(17)18-11-20-12-26-18)22-19-23-16(10-21-24-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,22,23,24)
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n/an/a 3.50E+3n/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)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair