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11 similar compounds to monomer 50112559

Compile data set for download or QSAR
Wt: 360.4
BDBM50112556
Wt: 351.3
BDBM50112557
Wt: 333.3
BDBM50112562
Wt: 379.4
BDBM50112563
Wt: 303.3
BDBM50112564
Wt: 317.3
BDBM50112565
Wt: 331.3
BDBM50112567
Wt: 303.3
BDBM50112569
Wt: 337.3
BDBM50112573
Wt: 436.4
BDBM50416536
Wt: 436.4
BDBM50416542

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50112556,50112557,50112562,50112563,50112564,50112565,50112567,50112569,50112573,50416536,50416542   
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))
BDBM50416542
PNG
(CHEMBL1215241)
Show SMILES COc1cc(NC(=O)C(=O)NCc2ccc(\C=C\C(=O)NO)cc2)ccc1-c1cnco1
Show InChI InChI=1S/C22H20N4O6/c1-31-18-10-16(7-8-17(18)19-12-23-13-32-19)25-22(29)21(28)24-11-15-4-2-14(3-5-15)6-9-20(27)26-30/h2-10,12-13,30H,11H2,1H3,(H,24,28)(H,25,29)(H,26,27)/b9-6+
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1.40E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem 18: 5950-64 (2010)


Article DOI: 10.1016/j.bmc.2010.06.081
BindingDB Entry DOI: 10.7270/Q2S75HKW
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50416536
PNG
(CHEMBL1215242)
Show SMILES COc1cc(NC(=O)C(=O)NCc2cccc(\C=C\C(=O)NO)c2)ccc1-c1cnco1
Show InChI InChI=1S/C22H20N4O6/c1-31-18-10-16(6-7-17(18)19-12-23-13-32-19)25-22(29)21(28)24-11-15-4-2-3-14(9-15)5-8-20(27)26-30/h2-10,12-13,30H,11H2,1H3,(H,24,28)(H,25,29)(H,26,27)/b8-5+
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1.50E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem 18: 5950-64 (2010)


Article DOI: 10.1016/j.bmc.2010.06.081
BindingDB Entry DOI: 10.7270/Q2S75HKW
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50416536
PNG
(CHEMBL1215242)
Show SMILES COc1cc(NC(=O)C(=O)NCc2cccc(\C=C\C(=O)NO)c2)ccc1-c1cnco1
Show InChI InChI=1S/C22H20N4O6/c1-31-18-10-16(6-7-17(18)19-12-23-13-32-19)25-22(29)21(28)24-11-15-4-2-3-14(9-15)5-8-20(27)26-30/h2-10,12-13,30H,11H2,1H3,(H,24,28)(H,25,29)(H,26,27)/b8-5+
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4.40E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH1


Bioorg Med Chem 18: 5950-64 (2010)


Article DOI: 10.1016/j.bmc.2010.06.081
BindingDB Entry DOI: 10.7270/Q2S75HKW
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50416542
PNG
(CHEMBL1215241)
Show SMILES COc1cc(NC(=O)C(=O)NCc2ccc(\C=C\C(=O)NO)cc2)ccc1-c1cnco1
Show InChI InChI=1S/C22H20N4O6/c1-31-18-10-16(7-8-17(18)19-12-23-13-32-19)25-22(29)21(28)24-11-15-4-2-14(3-5-15)6-9-20(27)26-30/h2-10,12-13,30H,11H2,1H3,(H,24,28)(H,25,29)(H,26,27)/b9-6+
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1.70E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH1


Bioorg Med Chem 18: 5950-64 (2010)


Article DOI: 10.1016/j.bmc.2010.06.081
BindingDB Entry DOI: 10.7270/Q2S75HKW
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50112564
PNG
(CHEMBL282697 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-...)
Show SMILES CCCNC(=O)C(=O)Nc1ccc(-c2cnco2)c(OC)c1
Show InChI InChI=1S/C15H17N3O4/c1-3-6-17-14(19)15(20)18-10-4-5-11(12(7-10)21-2)13-8-16-9-22-13/h4-5,7-9H,3,6H2,1-2H3,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/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: 1323-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00132-4
BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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 human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00132-4
BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50112569
PNG
(CHEMBL27504 | N-Isopropyl-N'-(3-methoxy-4-oxazol-5...)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)C)ccc1-c1cnco1
Show InChI InChI=1S/C15H17N3O4/c1-9(2)17-14(19)15(20)18-10-4-5-11(12(6-10)21-3)13-7-16-8-22-13/h4-9H,1-3H3,(H,17,19)(H,18,20)
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n/an/a>1.00E+4n/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: 1323-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00132-4
BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50112567
PNG
(CHEMBL25087 | N-tert-Butyl-N'-(3-methoxy-4-oxazol-...)
Show SMILES COc1cc(NC(=O)C(=O)N(C)C(C)(C)C)ccc1-c1cnco1
Show InChI InChI=1S/C17H21N3O4/c1-17(2,3)20(4)16(22)15(21)19-11-6-7-12(13(8-11)23-5)14-9-18-10-24-14/h6-10H,1-5H3,(H,19,21)
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n/an/a>1.00E+4n/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: 1323-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00132-4
BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50112573
PNG
(CHEMBL283256 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-...)
Show SMILES COc1cc(NC(=O)C(=O)Nc2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C18H15N3O4/c1-24-15-9-13(7-8-14(15)16-10-19-11-25-16)21-18(23)17(22)20-12-5-3-2-4-6-12/h2-11H,1H3,(H,20,22)(H,21,23)
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n/an/a 52n/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: 1323-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00132-4
BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50112573
PNG
(CHEMBL283256 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-...)
Show SMILES COc1cc(NC(=O)C(=O)Nc2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C18H15N3O4/c1-24-15-9-13(7-8-14(15)16-10-19-11-25-16)21-18(23)17(22)20-12-5-3-2-4-6-12/h2-11H,1H3,(H,20,22)(H,21,23)
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n/an/a 52n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Inosine Monophosphate Dehydrogenase II (IMPDH II)


Bioorg Med Chem Lett 12: 3125-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00641-8
BindingDB Entry DOI: 10.7270/Q2959GXF
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(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)


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))
BDBM50112563
PNG
(CHEMBL25681 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-N...)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C21H21N3O4/c1-21(2,14-7-5-4-6-8-14)24-20(26)19(25)23-15-9-10-16(17(11-15)27-3)18-12-22-13-28-18/h4-13H,1-3H3,(H,23,25)(H,24,26)
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n/an/a 30n/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: 1323-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00132-4
BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50112562
PNG
(CHEMBL27777 | N-(2-Hydroxy-1,1-dimethyl-ethyl)-N'-...)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)CO)ccc1-c1cnco1
Show InChI InChI=1S/C16H19N3O5/c1-16(2,8-20)19-15(22)14(21)18-10-4-5-11(12(6-10)23-3)13-7-17-9-24-13/h4-7,9,20H,8H2,1-3H3,(H,18,21)(H,19,22)
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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 human Inosine-5'-monophosphate dehydrogenase 2


Bioorg Med Chem Lett 12: 1323-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00132-4
BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (IMPDH)


(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 40n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 13: 1691-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00237-3
BindingDB Entry DOI: 10.7270/Q21N83B7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50112556
PNG
(CHEMBL24840 | N-(2-Dimethylamino-1,1-dimethyl-ethy...)
Show SMILES COc1cc(NC(=O)C(=O)NC(C)(C)CN(C)C)ccc1-c1cnco1
Show InChI InChI=1S/C18H24N4O4/c1-18(2,10-22(3)4)21-17(24)16(23)20-12-6-7-13(14(8-12)25-5)15-9-19-11-26-15/h6-9,11H,10H2,1-5H3,(H,20,23)(H,21,24)
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n/an/a 47n/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: 1323-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00132-4
BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50112557
PNG
(CHEMBL27327 | N-(3-Methoxy-4-oxazol-5-yl-phenyl)-N...)
Show SMILES COc1cc(NC(=O)C(=O)N(C)c2ccccc2)ccc1-c1cnco1
Show InChI InChI=1S/C19H17N3O4/c1-22(14-6-4-3-5-7-14)19(24)18(23)21-13-8-9-15(16(10-13)25-2)17-11-20-12-26-17/h3-12H,1-2H3,(H,21,23)
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n/an/a>1.00E+4n/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: 1323-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00132-4
BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair