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PubMed code 23663081

Compile data set for download or QSAR
Found 49 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 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 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 130n/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
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248096
PNG
(IMPDH II inhibitor, 13)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C23H28N4O5/c1-5-19(11-12-24)32-23(29)25-15(2)16-7-6-8-17(13-16)26-22(28)27-18-9-10-20(30-3)21(14-18)31-4/h6-10,13-15,19H,5,11H2,1-4H3,(H,25,29)(H2,26,27,28)/t15-,19?/m0/s1
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n/an/a 230n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248095
PNG
(VX-148 (3))
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(C#N)c(OC)c2)c1
Show InChI InChI=1S/C23H25N5O4/c1-4-20(10-11-24)32-23(30)26-15(2)16-6-5-7-18(12-16)27-22(29)28-19-9-8-17(14-25)21(13-19)31-3/h5-9,12-13,15,20H,4,10H2,1-3H3,(H,26,30)(H2,27,28,29)/t15-,20?/m0/s1
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n/an/a 380n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248113
PNG
(IMPDH II inhibitor, 32)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(N\C(Nc2ccc(C#N)c(OC)c2)=N\C#N)c1
Show InChI InChI=1S/C24H25N7O3/c1-4-21(10-11-25)34-24(32)29-16(2)17-6-5-7-19(12-17)30-23(28-15-27)31-20-9-8-18(14-26)22(13-20)33-3/h5-9,12-13,16,21H,4,10H2,1-3H3,(H,29,32)(H2,28,30,31)/t16-,21?/m0/s1
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n/an/a 3.00E+3n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248099
PNG
(IMPDH II inhibitor, 16)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(C3=CCOCC3)c(OC)c2)c1
Show InChI InChI=1S/C27H32N4O5/c1-4-23(10-13-28)36-27(33)29-18(2)20-6-5-7-21(16-20)30-26(32)31-22-8-9-24(25(17-22)34-3)19-11-14-35-15-12-19/h5-9,11,16-18,23H,4,10,12,14-15H2,1-3H3,(H,29,33)(H2,30,31,32)/t18-,23?/m0/s1
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n/an/a 3.50E+3n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248114
PNG
(IMPDH II inhibitor, 33)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(N\C(Nc2ccc(OC)c(OC)c2)=N\C#N)c1
Show InChI InChI=1S/C24H28N6O4/c1-5-20(11-12-25)34-24(31)28-16(2)17-7-6-8-18(13-17)29-23(27-15-26)30-19-9-10-21(32-3)22(14-19)33-4/h6-10,13-14,16,20H,5,11H2,1-4H3,(H,28,31)(H2,27,29,30)/t16-,20?/m0/s1
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n/an/a 5.60E+3n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248101
PNG
(IMPDH II inhibitor, 18)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc3CCOc3c2)c1
Show InChI InChI=1S/C23H26N4O4/c1-3-20(9-11-24)31-23(29)25-15(2)17-5-4-6-18(13-17)26-22(28)27-19-8-7-16-10-12-30-21(16)14-19/h4-8,13-15,20H,3,9-10,12H2,1-2H3,(H,25,29)(H2,26,27,28)/t15-,20?/m0/s1
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n/an/a 1.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248110
PNG
(IMPDH II inhibitor, 27)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C24H24N4O5/c1-3-19(9-11-25)33-24(31)26-15(2)16-5-4-6-17(13-16)27-23(30)28-18-7-8-20-21(29)10-12-32-22(20)14-18/h4-8,10,12-15,19H,3,9H2,1-2H3,(H,26,31)(H2,27,28,30)/t15-,19?/m0/s1
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n/an/a<1.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248104
PNG
(IMPDH II inhibitor, 21)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc3n(C)cnc3c2)c1
Show InChI InChI=1S/C23H26N6O3/c1-4-19(10-11-24)32-23(31)26-15(2)16-6-5-7-17(12-16)27-22(30)28-18-8-9-21-20(13-18)25-14-29(21)3/h5-9,12-15,19H,4,10H2,1-3H3,(H,26,31)(H2,27,28,30)/t15-,19?/m0/s1
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n/an/a 1.40E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248097
PNG
(IMPDH II inhibitor, 14)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(C)c(OC)c2)c1
Show InChI InChI=1S/C23H28N4O4/c1-5-20(11-12-24)31-23(29)25-16(3)17-7-6-8-18(13-17)26-22(28)27-19-10-9-15(2)21(14-19)30-4/h6-10,13-14,16,20H,5,11H2,1-4H3,(H,25,29)(H2,26,27,28)/t16-,20?/m0/s1
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n/an/a 1.90E+4n/an/an/an/a8.037



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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248123
PNG
(IMPDH II inhibitor, 42)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(c1)N1C(=O)CN(C1=O)c1ccc(C#N)c(OC)c1
Show InChI InChI=1S/C25H25N5O5/c1-4-21(10-11-26)35-24(32)28-16(2)17-6-5-7-20(12-17)30-23(31)15-29(25(30)33)19-9-8-18(14-27)22(13-19)34-3/h5-9,12-13,16,21H,4,10,15H2,1-3H3,(H,28,32)/t16-,21?/m0/s1
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n/an/a 2.50E+4n/an/an/an/a8.037



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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248115
PNG
(IMPDH II inhibitor, 34)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(N\C(Nc2ccc(C#N)c(OC)c2)=C\[N+]([O-])=O)c1
Show InChI InChI=1S/C24H26N6O5/c1-4-21(10-11-25)35-24(31)27-16(2)17-6-5-7-19(12-17)28-23(15-30(32)33)29-20-9-8-18(14-26)22(13-20)34-3/h5-9,12-13,15-16,21,28-29H,4,10H2,1-3H3,(H,27,31)/b23-15-/t16-,21?/m0/s1
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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248128
PNG
(IMPDH II inhibitor, 47)
Show SMILES COc1cc(N\C(Nc2cccc(c2)-c2nnn(C)n2)=N\C#N)ccc1C#N
Show InChI InChI=1S/C18H15N9O/c1-27-25-17(24-26-27)12-4-3-5-14(8-12)22-18(21-11-20)23-15-7-6-13(10-19)16(9-15)28-2/h3-9H,1-2H3,(H2,21,22,23)
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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248136
PNG
(IMPDH II inhibitor, 55)
Show SMILES COc1cc(N\C(Nc2cccc(c2)-c2cccc(F)c2)=N\C#N)ccc1C#N
Show InChI InChI=1S/C22H16FN5O/c1-29-21-12-20(9-8-17(21)13-24)28-22(26-14-25)27-19-7-3-5-16(11-19)15-4-2-6-18(23)10-15/h2-12H,1H3,(H2,26,27,28)
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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248108
PNG
(IMPDH II inhibitor, 25)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc3ncnc(OC)c3c2)c1
Show InChI InChI=1S/C24H26N6O4/c1-4-19(10-11-25)34-24(32)28-15(2)16-6-5-7-17(12-16)29-23(31)30-18-8-9-21-20(13-18)22(33-3)27-14-26-21/h5-9,12-15,19H,4,10H2,1-3H3,(H,28,32)(H2,29,30,31)/t15-,19?/m0/s1
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n/an/a<3.00E+4n/an/an/an/a8.037



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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248124
PNG
(IMPDH II inhibitor, 43)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)c2cncc(n2)-c2ccc(C#N)c(OC)c2)c1
Show InChI InChI=1S/C27H26N6O4/c1-4-22(10-11-28)37-27(35)31-17(2)18-6-5-7-21(12-18)32-26(34)24-16-30-15-23(33-24)19-8-9-20(14-29)25(13-19)36-3/h5-9,12-13,15-17,22H,4,10H2,1-3H3,(H,31,35)(H,32,34)/t17-,22?/m0/s1
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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248126
PNG
(IMPDH II inhibitor, 45)
Show SMILES COc1cc(N\C(Nc2cccc(OCC(=O)C(C)=O)c2)=N\C#N)ccc1C#N
Show InChI InChI=1S/C20H17N5O4/c1-13(26)18(27)11-29-17-5-3-4-15(8-17)24-20(23-12-22)25-16-7-6-14(10-21)19(9-16)28-2/h3-9H,11H2,1-2H3,(H2,23,24,25)
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n/an/a<3.00E+4n/an/an/an/a8.037



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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248129
PNG
(IMPDH II inhibitor, 48)
Show SMILES COc1cc(N\C(Nc2cccc(c2)-c2nnnn2C)=N\C#N)ccc1C#N
Show InChI InChI=1S/C18H15N9O/c1-27-17(24-25-26-27)12-4-3-5-14(8-12)22-18(21-11-20)23-15-7-6-13(10-19)16(9-15)28-2/h3-9H,1-2H3,(H2,21,22,23)
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248109
PNG
(IMPDH II inhibitor, 26)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc3c(c2)oc(C)cc3=O)c1
Show InChI InChI=1S/C25H26N4O5/c1-4-20(10-11-26)34-25(32)27-16(3)17-6-5-7-18(13-17)28-24(31)29-19-8-9-21-22(30)12-15(2)33-23(21)14-19/h5-9,12-14,16,20H,4,10H2,1-3H3,(H,27,32)(H2,28,29,31)/t16-,20?/m0/s1
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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248111
PNG
(IMPDH II inhibitor, 30)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=N)Nc2ccc(C#N)c(OC)c2)c1
Show InChI InChI=1S/C23H26N6O3/c1-4-20(10-11-24)32-23(30)27-15(2)16-6-5-7-18(12-16)28-22(26)29-19-9-8-17(14-25)21(13-19)31-3/h5-9,12-13,15,20H,4,10H2,1-3H3,(H,27,30)(H3,26,28,29)/t15-,20?/m0/s1
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n/an/a 3.00E+4n/an/an/an/a8.037



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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248119
PNG
(IMPDH II inhibitor, 38)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)COc2ccc(C#N)c(OC)c2)c1
Show InChI InChI=1S/C24H26N4O5/c1-4-20(10-11-25)33-24(30)27-16(2)17-6-5-7-19(12-17)28-23(29)15-32-21-9-8-18(14-26)22(13-21)31-3/h5-9,12-13,16,20H,4,10,15H2,1-3H3,(H,27,30)(H,28,29)/t16-,20?/m0/s1
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n/an/a<3.00E+4n/an/an/an/a8.037



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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248121
PNG
(IMPDH II inhibitor, 40)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C23H28N4O7S/c1-5-18(11-12-24)34-23(29)25-15(2)16-7-6-8-17(13-16)26-22(28)27-35(30,31)19-9-10-20(32-3)21(14-19)33-4/h6-10,13-15,18H,5,11H2,1-4H3,(H,25,29)(H2,26,27,28)/t15-,18?/m0/s1
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n/an/a<3.00E+4n/an/an/an/a8.037



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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248125
PNG
(IMPDH II inhibitor, 44)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(Nc2nc3ccc(cc3[nH]2)-c2ccc(C#N)c(OC)c2)c1
Show InChI InChI=1S/C29H28N6O3/c1-4-24(12-13-30)38-29(36)32-18(2)19-6-5-7-23(14-19)33-28-34-25-11-10-20(15-26(25)35-28)21-8-9-22(17-31)27(16-21)37-3/h5-11,14-16,18,24H,4,12H2,1-3H3,(H,32,36)(H2,33,34,35)/t18-,24?/m0/s1
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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248130
PNG
(IMPDH II inhibitor, 49)
Show SMILES COc1cc(N\C(Nc2cccc(Cc3nnn(C)n3)c2)=N\C#N)ccc1C#N
Show InChI InChI=1S/C19H17N9O/c1-28-26-18(25-27-28)9-13-4-3-5-15(8-13)23-19(22-12-21)24-16-7-6-14(11-20)17(10-16)29-2/h3-8,10H,9H2,1-2H3,(H2,22,23,24)
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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248132
PNG
(IMPDH II inhibitor, 51)
Show SMILES COc1cc(N\C(Nc2cccc(\C=C\C(O)=O)c2)=N\C#N)ccc1C#N
Show InChI InChI=1S/C19H15N5O3/c1-27-17-10-16(7-6-14(17)11-20)24-19(22-12-21)23-15-4-2-3-13(9-15)5-8-18(25)26/h2-10H,1H3,(H,25,26)(H2,22,23,24)/b8-5+
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248137
PNG
(IMPDH II inhibitor, 56)
Show SMILES COc1cc(N\C(Nc2cccc(c2)-c2ccc(F)cc2)=N\C#N)ccc1C#N
Show InChI InChI=1S/C22H16FN5O/c1-29-21-12-20(10-7-17(21)13-24)28-22(26-14-25)27-19-4-2-3-16(11-19)15-5-8-18(23)9-6-15/h2-12H,1H3,(H2,26,27,28)
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248139
PNG
(IMPDH II inhibitor, 58)
Show SMILES COc1cc(N\C(Nc2cccc(c2)-c2cccc(c2)C(O)=O)=N\C#N)ccc1C#N
Show InChI InChI=1S/C23H17N5O3/c1-31-21-12-20(9-8-18(21)13-24)28-23(26-14-25)27-19-7-3-5-16(11-19)15-4-2-6-17(10-15)22(29)30/h2-12H,1H3,(H,29,30)(H2,26,27,28)
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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248100
PNG
(IMPDH II inhibitor, 17)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(C3CCOCC3)c(OC)c2)c1
Show InChI InChI=1S/C27H34N4O5/c1-4-23(10-13-28)36-27(33)29-18(2)20-6-5-7-21(16-20)30-26(32)31-22-8-9-24(25(17-22)34-3)19-11-14-35-15-12-19/h5-9,16-19,23H,4,10-12,14-15H2,1-3H3,(H,29,33)(H2,30,31,32)/t18-,23?/m0/s1
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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248111
PNG
(IMPDH II inhibitor, 30)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=N)Nc2ccc(C#N)c(OC)c2)c1
Show InChI InChI=1S/C23H26N6O3/c1-4-20(10-11-24)32-23(30)27-15(2)16-6-5-7-18(12-16)28-22(26)29-19-9-8-17(14-25)21(13-19)31-3/h5-9,12-13,15,20H,4,10H2,1-3H3,(H,27,30)(H3,26,28,29)/t15-,20?/m0/s1
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248103
PNG
(IMPDH II inhibitor, 20)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc3OCOc3c2)c1
Show InChI InChI=1S/C22H24N4O5/c1-3-18(9-10-23)31-22(28)24-14(2)15-5-4-6-16(11-15)25-21(27)26-17-7-8-19-20(12-17)30-13-29-19/h4-8,11-12,14,18H,3,9,13H2,1-2H3,(H,24,28)(H2,25,26,27)/t14-,18?/m0/s1
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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248127
PNG
(IMPDH II inhibitor, 46)
Show SMILES COc1cc(N\C(Nc2cccc(OCC(O)=O)c2)=N\C#N)ccc1C#N
Show InChI InChI=1S/C18H15N5O4/c1-26-16-8-14(6-5-12(16)9-19)23-18(21-11-20)22-13-3-2-4-15(7-13)27-10-17(24)25/h2-8H,10H2,1H3,(H,24,25)(H2,21,22,23)
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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248131
PNG
(IMPDH II inhibitor, 50)
Show SMILES COc1cc(N\C(Nc2cccc(CCC(O)=O)c2)=N\C#N)ccc1C#N
Show InChI InChI=1S/C19H17N5O3/c1-27-17-10-16(7-6-14(17)11-20)24-19(22-12-21)23-15-4-2-3-13(9-15)5-8-18(25)26/h2-4,6-7,9-10H,5,8H2,1H3,(H,25,26)(H2,22,23,24)
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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248134
PNG
(IMPDH II inhibitor, 53)
Show SMILES COc1cc(N\C(Nc2cccc(c2)C(O)=O)=N\C#N)ccc1C#N
Show InChI InChI=1S/C17H13N5O3/c1-25-15-8-14(6-5-12(15)9-18)22-17(20-10-19)21-13-4-2-3-11(7-13)16(23)24/h2-8H,1H3,(H,23,24)(H2,20,21,22)
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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248141
PNG
(IMPDH II inhibitor, 60)
Show SMILES COc1cc(N\C(Nc2cccc(c2)-c2cccc(c2)C#N)=N\C#N)ccc1C#N
Show InChI InChI=1S/C23H16N6O/c1-30-22-12-21(9-8-19(22)14-25)29-23(27-15-26)28-20-7-3-6-18(11-20)17-5-2-4-16(10-17)13-24/h2-12H,1H3,(H2,27,28,29)
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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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248098
PNG
(IMPDH II inhibitor, 15)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(N3CCOCC3)c(OC)c2)c1
Show InChI InChI=1S/C26H33N5O5/c1-4-22(10-11-27)36-26(33)28-18(2)19-6-5-7-20(16-19)29-25(32)30-21-8-9-23(24(17-21)34-3)31-12-14-35-15-13-31/h5-9,16-18,22H,4,10,12-15H2,1-3H3,(H,28,33)(H2,29,30,32)/t18-,22?/m0/s1
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248116
PNG
(IMPDH II inhibitor, 35)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(N\C(Nc2ccc(OC)c(OC)c2)=C\[N+]([O-])=O)c1
Show InChI InChI=1S/C24H29N5O6/c1-5-20(11-12-25)35-24(30)26-16(2)17-7-6-8-18(13-17)27-23(15-29(31)32)28-19-9-10-21(33-3)22(14-19)34-4/h6-10,13-16,20,27-28H,5,11H2,1-4H3,(H,26,30)/b23-15-/t16-,20?/m0/s1
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248112
PNG
(IMPDH II inhibitor, 31)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=N)Nc2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C23H29N5O4/c1-5-19(11-12-24)32-23(29)26-15(2)16-7-6-8-17(13-16)27-22(25)28-18-9-10-20(30-3)21(14-18)31-4/h6-10,13-15,19H,5,11H2,1-4H3,(H,26,29)(H3,25,27,28)/t15-,19?/m0/s1
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248107
PNG
(IMPDH II inhibitor, 24)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc3OCC(C)c3c2)c1
Show InChI InChI=1S/C24H28N4O4/c1-4-20(10-11-25)32-24(30)26-16(3)17-6-5-7-18(12-17)27-23(29)28-19-8-9-22-21(13-19)15(2)14-31-22/h5-9,12-13,15-16,20H,4,10,14H2,1-3H3,(H,26,30)(H2,27,28,29)/t15?,16-,20?/m0/s1
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248140
PNG
(IMPDH II inhibitor, 59)
Show SMILES COc1cc(N\C(Nc2cccc(c2)-c2ccc(cc2)C#N)=N\C#N)ccc1C#N
Show InChI InChI=1S/C23H16N6O/c1-30-22-12-21(10-9-19(22)14-25)29-23(27-15-26)28-20-4-2-3-18(11-20)17-7-5-16(13-24)6-8-17/h2-12H,1H3,(H2,27,28,29)
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248133
PNG
(IMPDH II inhibitor, 52)
Show SMILES COc1cc(N\C(Nc2cccc(CC(O)=O)c2)=N\C#N)ccc1C#N
Show InChI InChI=1S/C18H15N5O3/c1-26-16-9-15(6-5-13(16)10-19)23-18(21-11-20)22-14-4-2-3-12(7-14)8-17(24)25/h2-7,9H,8H2,1H3,(H,24,25)(H2,21,22,23)
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248135
PNG
(IMPDH II inhibitor, 54)
Show SMILES COc1cc(N\C(Nc2cccc(c2)-c2ccccc2F)=N\C#N)ccc1C#N
Show InChI InChI=1S/C22H16FN5O/c1-29-21-12-18(10-9-16(21)13-24)28-22(26-14-25)27-17-6-4-5-15(11-17)19-7-2-3-8-20(19)23/h2-12H,1H3,(H2,26,27,28)
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248122
PNG
(IMPDH II inhibitor, 41)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)N2CCN(CC2)c2ccc(C#N)c(OC)c2)c1
Show InChI InChI=1S/C27H32N6O4/c1-4-24(10-11-28)37-27(35)30-19(2)20-6-5-7-22(16-20)31-26(34)33-14-12-32(13-15-33)23-9-8-21(18-29)25(17-23)36-3/h5-9,16-17,19,24H,4,10,12-15H2,1-3H3,(H,30,35)(H,31,34)/t19-,24?/m0/s1
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248120
PNG
(IMPDH II inhibitor, 39)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)COc2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C24H29N3O6/c1-5-19(11-12-25)33-24(29)26-16(2)17-7-6-8-18(13-17)27-23(28)15-32-20-9-10-21(30-3)22(14-20)31-4/h6-10,13-14,16,19H,5,11,15H2,1-4H3,(H,26,29)(H,27,28)/t16-,19?/m0/s1
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248118
PNG
(IMPDH II inhibitor, 37)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)CNc2ccc(C#N)c(OC)c2)c1
Show InChI InChI=1S/C24H27N5O4/c1-4-21(10-11-25)33-24(31)28-16(2)17-6-5-7-20(12-17)29-23(30)15-27-19-9-8-18(14-26)22(13-19)32-3/h5-9,12-13,16,21,27H,4,10,15H2,1-3H3,(H,28,31)(H,29,30)/t16-,21?/m0/s1
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248117
PNG
(IMPDH II inhibitor, 36)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NCC(=O)Nc2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C24H30N4O5/c1-5-20(11-12-25)33-24(30)27-16(2)17-7-6-8-18(13-17)26-15-23(29)28-19-9-10-21(31-3)22(14-19)32-4/h6-10,13-14,16,20,26H,5,11,15H2,1-4H3,(H,27,30)(H,28,29)/t16-,20?/m0/s1
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248106
PNG
(IMPDH II inhibitor, 23)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc3cc(OC)c(OC)cc3c2)c1
Show InChI InChI=1S/C27H30N4O5/c1-5-23(11-12-28)36-27(33)29-17(2)18-7-6-8-21(13-18)30-26(32)31-22-10-9-19-15-24(34-3)25(35-4)16-20(19)14-22/h6-10,13-17,23H,5,11H2,1-4H3,(H,29,33)(H2,30,31,32)/t17-,23?/m0/s1
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248138
PNG
(IMPDH II inhibitor, 57)
Show SMILES COc1cc(N\C(Nc2cccc(c2)-c2cccc(c2)C(F)(F)F)=N\C#N)ccc1C#N
Show InChI InChI=1S/C23H16F3N5O/c1-32-21-12-20(9-8-17(21)13-27)31-22(29-14-28)30-19-7-3-5-16(11-19)15-4-2-6-18(10-15)23(24,25)26/h2-12H,1H3,(H2,29,30,31)
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n/an/a<3.00E+4n/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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM248105
PNG
(IMPDH II inhibitor, 22)
Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc3ncc(OC)nc3c2)c1
Show InChI InChI=1S/C24H26N6O4/c1-4-19(10-11-25)34-24(32)27-15(2)16-6-5-7-17(12-16)28-23(31)29-18-8-9-20-21(13-18)30-22(33-3)14-26-20/h5-9,12-15,19H,4,10H2,1-3H3,(H,27,32)(H2,28,29,31)/t15-,19?/m0/s1
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n/an/a<3.00E+4n/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
* indicates data uncertainty>20%