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14 similar compounds to monomer 50116133

Compile data set for download or QSAR
Wt: 374.3
BDBM50116124
Wt: 418.4
BDBM50116125
Wt: 430.4
BDBM50116126
Wt: 388.4
BDBM50116127
Wt: 360.3
BDBM50116131
Wt: 388.4
BDBM50116134
Wt: 388.4
BDBM50116135
Wt: 457.4
BDBM50116138
Wt: 444.4
BDBM50116139
Wt: 444.4
BDBM50116143
Wt: 464.5
BDBM50116147
Wt: 432.4
BDBM50116149
Wt: 388.4
BDBM50116151
Wt: 450.4
BDBM50116152

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50116124,50116125,50116126,50116127,50116131,50116134,50116135,50116138,50116139,50116143,50116147,50116149,50116151,50116152   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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))
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 inosine-5'-monophosphate dehydrogenase 2.


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


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


(Homo sapiens (Human))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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