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19 similar compounds to monomer 50054039

Compile data set for download or QSAR
Wt: 320.3
BDBM19264
Purchase
Wt: 306.3
BDBM50010611
Wt: 332.3
BDBM50010604
Wt: 334.3
BDBM50054029
Wt: 334.3
BDBM50053994
Wt: 334.3
BDBM50054034
Wt: 290.3
BDBM50054046
Wt: 331.3
BDBM50054010
Wt: 336.3
BDBM50054016
Wt: 306.3
BDBM50054017
Purchase
Wt: 304.3
BDBM50054019
Wt: 318.3
BDBM50054021
Wt: 335.3
BDBM50228085
Wt: 362.3
BDBM50331098
Wt: 306.3
BDBM50331099
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 65 hits for monomerid = 19264,50010611,50010604,50054029,50053994,50054034,50054046,50054010,50054016,50054017,50054019,50054021,50228085,50331098,50331099   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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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6n/an/an/an/an/an/an/an/a



Codon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II isoform); Range is 6-10 nM


J Med Chem 41: 618-22 (1998)


Article DOI: 10.1021/jm970705k
BindingDB Entry DOI: 10.7270/Q20C4WGZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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7 -11.1n/an/an/an/an/a8.025



University of Minnesota at Twin Citiies



Assay Description
Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 2 (33 and 66 nM) and varying concentrations of i...


J Med Chem 50: 5743-5751 (2007)


Article DOI: 10.1021/jm070568j
BindingDB Entry DOI: 10.7270/Q2RX99CT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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7n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2 by Spectrophotometer


Bioorg Med Chem 19: 1594-605 (2011)


Article DOI: 10.1016/j.bmc.2011.01.042
BindingDB Entry DOI: 10.7270/Q21G0MKT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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10n/an/an/an/an/an/an/an/a



Pharmasset Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II)


J Med Chem 45: 703-12 (2002)


Article DOI: 10.1021/jm0104116
BindingDB Entry DOI: 10.7270/Q29S1RS4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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10n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem 16: 9340-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.062
BindingDB Entry DOI: 10.7270/Q2K937BH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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10n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMP dehydrogenase 2


Bioorg Med Chem 16: 7462-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.003
BindingDB Entry DOI: 10.7270/Q25D8RPD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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10n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 2


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50228085
PNG
(CHEMBL238461 | N-hydroxy-6-(4-hydroxy-6-methoxy-7-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)NO
Show InChI InChI=1S/C17H21NO6/c1-9(5-7-13(19)18-22)4-6-11-15(20)14-12(8-24-17(14)21)10(2)16(11)23-3/h4,20,22H,5-8H2,1-3H3,(H,18,19)/b9-4+
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30n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 2


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(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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33n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH1 by Spectrophotometry


Bioorg Med Chem 19: 1594-605 (2011)


Article DOI: 10.1016/j.bmc.2011.01.042
BindingDB Entry DOI: 10.7270/Q21G0MKT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(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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33 -10.2n/an/an/an/an/a8.025



University of Minnesota at Twin Citiies



Assay Description
Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...


J Med Chem 50: 5743-5751 (2007)


Article DOI: 10.1021/jm070568j
BindingDB Entry DOI: 10.7270/Q2RX99CT
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(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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33n/an/an/an/an/an/an/an/a



Codon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I isoform); Range is 33-37 nM


J Med Chem 41: 618-22 (1998)


Article DOI: 10.1021/jm970705k
BindingDB Entry DOI: 10.7270/Q20C4WGZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


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



Pharmasset Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I)


J Med Chem 45: 703-12 (2002)


Article DOI: 10.1021/jm0104116
BindingDB Entry DOI: 10.7270/Q29S1RS4
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


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



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMP dehydrogenase 1


Bioorg Med Chem 16: 7462-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.003
BindingDB Entry DOI: 10.7270/Q25D8RPD
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


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



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH1


Bioorg Med Chem 16: 9340-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.062
BindingDB Entry DOI: 10.7270/Q2K937BH
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


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



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 1


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50228085
PNG
(CHEMBL238461 | N-hydroxy-6-(4-hydroxy-6-methoxy-7-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)NO
Show InChI InChI=1S/C17H21NO6/c1-9(5-7-13(19)18-22)4-6-11-15(20)14-12(8-24-17(14)21)10(2)16(11)23-3/h4,20,22H,5-8H2,1-3H3,(H,18,19)/b9-4+
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70n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH 1


J Med Chem 50: 6685-91 (2007)


Article DOI: 10.1021/jm070864w
BindingDB Entry DOI: 10.7270/Q2ZK5GCS
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 2B7


(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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1.50E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Uncompetitive substrate inhibition of UGT2B7 in diabetic human kidney microsomes assessed as reduction in enzyme-mediated mycophenolic acid phenolic ...


Drug Metab Dispos 39: 448-55 (2011)


Article DOI: 10.1124/dmd.110.036608
BindingDB Entry DOI: 10.7270/Q2S46TP9
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 2B7


(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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1.50E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Uncompetitive substrate inhibition of UGT2B7 in non-diabetic human kidney microsomes assessed as reduction in enzyme-mediated mycophenolic acid pheno...


Drug Metab Dispos 39: 448-55 (2011)


Article DOI: 10.1124/dmd.110.036608
BindingDB Entry DOI: 10.7270/Q2S46TP9
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 2B7


(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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1.50E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Uncompetitive substrate inhibition of UGT2B7 in non-diabetic human liver microsomes assessed as reduction in enzyme-mediated mycophenolic acid phenol...


Drug Metab Dispos 39: 448-55 (2011)


Article DOI: 10.1124/dmd.110.036608
BindingDB Entry DOI: 10.7270/Q2S46TP9
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 2B7


(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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1.50E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Uncompetitive substrate inhibition of UGT2B7 in diabetic human liver microsomes assessed as reduction in enzyme-mediated mycophenolic acid phenolic 7...


Drug Metab Dispos 39: 448-55 (2011)


Article DOI: 10.1124/dmd.110.036608
BindingDB Entry DOI: 10.7270/Q2S46TP9
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 2B7


(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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2.00E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Uncompetitive substrate inhibition of UGT2B7 in diabetic human kidney microsomes assessed as reduction in enzyme-mediated mycophenolic acid acyl gluc...


Drug Metab Dispos 39: 448-55 (2011)


Article DOI: 10.1124/dmd.110.036608
BindingDB Entry DOI: 10.7270/Q2S46TP9
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 2B7


(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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2.00E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Uncompetitive substrate inhibition of UGT2B7 in diabetic human liver microsomes assessed as reduction in enzyme-mediated mycophenolic acid acyl glucu...


Drug Metab Dispos 39: 448-55 (2011)


Article DOI: 10.1124/dmd.110.036608
BindingDB Entry DOI: 10.7270/Q2S46TP9
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 2B7


(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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2.00E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Uncompetitive substrate inhibition of UGT2B7 in non-diabetic human kidney microsomes assessed as reduction in enzyme-mediated mycophenolic acid acyl ...


Drug Metab Dispos 39: 448-55 (2011)


Article DOI: 10.1124/dmd.110.036608
BindingDB Entry DOI: 10.7270/Q2S46TP9
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 2B7


(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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2.00E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Uncompetitive substrate inhibition of UGT2B7 in non-diabetic human liver microsomes assessed as reduction in enzyme-mediated mycophenolic acid acyl g...


Drug Metab Dispos 39: 448-55 (2011)


Article DOI: 10.1124/dmd.110.036608
BindingDB Entry DOI: 10.7270/Q2S46TP9
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 16n/a 540n/an/a8.025



Bristol-Myers Squibb Company



Assay Description
Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...


J Med Chem 50: 3730-42 (2007)


Article DOI: 10.1021/jm070299x
BindingDB Entry DOI: 10.7270/Q2N58JPV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 630n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of IMPDH2 using inosine 5'-monophosphate as substrate by spectrophotometry


Bioorg Med Chem Lett 22: 3332-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.106
BindingDB Entry DOI: 10.7270/Q2KW5H1D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50010604
PNG
(7-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC=C=C(C)CCC(O)=O
Show InChI InChI=1S/C18H20O6/c1-10(7-8-14(19)20)5-4-6-12-16(21)15-13(9-24-18(15)22)11(2)17(12)23-3/h4,21H,6-9H2,1-3H3,(H,19,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


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


J Med Chem 33: 833-8 (1990)


Article DOI: 10.1021/jm00164a057
BindingDB Entry DOI: 10.7270/Q2TM7930
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(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 20n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


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


J Med Chem 33: 833-8 (1990)


Article DOI: 10.1021/jm00164a057
BindingDB Entry DOI: 10.7270/Q2TM7930
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50010611
PNG
(6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C\CCC(O)=O
Show InChI InChI=1S/C16H18O6/c1-9-11-8-22-16(20)13(11)14(19)10(15(9)21-2)6-4-3-5-7-12(17)18/h3-4,19H,5-8H2,1-2H3,(H,17,18)/b4-3+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


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


J Med Chem 33: 833-8 (1990)


Article DOI: 10.1021/jm00164a057
BindingDB Entry DOI: 10.7270/Q2TM7930
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 25n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 24.8n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50053994
PNG
((E)-6-(7-Ethyl-4-hydroxy-6-methoxy-3-oxo-1,3-dihyd...)
Show SMILES CCc1c2COC(=O)c2c(O)c(C\C=C(/C)CCC(O)=O)c1OC
Show InChI InChI=1S/C18H22O6/c1-4-11-13-9-24-18(22)15(13)16(21)12(17(11)23-3)7-5-10(2)6-8-14(19)20/h5,21H,4,6-9H2,1-3H3,(H,19,20)/b10-5+
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n/an/a 410n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054010
PNG
((E)-6-(7-Cyano-4-hydroxy-6-methoxy-3-oxo-1,3-dihyd...)
Show SMILES COc1c(C\C=C(/C)CCC(O)=O)c(O)c2C(=O)OCc2c1C#N
Show InChI InChI=1S/C17H17NO6/c1-9(4-6-13(19)20)3-5-10-15(21)14-12(8-24-17(14)22)11(7-18)16(10)23-2/h3,21H,4-6,8H2,1-2H3,(H,19,20)/b9-3+
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n/an/a>1.00E+5n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054017
PNG
((E)-6-(4,6-Dihydroxy-7-methyl-3-oxo-1,3-dihydro-is...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(O)c2C(=O)OCc2c(C)c1O
Show InChI InChI=1S/C16H18O6/c1-8(4-6-12(17)18)3-5-10-14(19)9(2)11-7-22-16(21)13(11)15(10)20/h3,19-20H,4-7H2,1-2H3,(H,17,18)/b8-3+
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n/an/a 87.7n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054021
PNG
((E)-6-(6-Ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydr...)
Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C18H22O5/c1-4-12-11(3)14-9-23-18(22)16(14)17(21)13(12)7-5-10(2)6-8-15(19)20/h5,21H,4,6-9H2,1-3H3,(H,19,20)/b10-5+
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n/an/a 12.6n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054029
PNG
((E)-6-(4-Hydroxy-6-methoxy-1,7-dimethyl-3-oxo-1,3-...)
Show SMILES COc1c(C)c2C(C)OC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C18H22O6/c1-9(6-8-13(19)20)5-7-12-16(21)15-14(10(2)17(12)23-4)11(3)24-18(15)22/h5,11,21H,6-8H2,1-4H3,(H,19,20)/b9-5+
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n/an/a 420n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054034
PNG
((E)-6-(6-Ethoxy-4-hydroxy-7-methyl-3-oxo-1,3-dihyd...)
Show SMILES CCOc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C18H22O6/c1-4-23-17-11(3)13-9-24-18(22)15(13)16(21)12(17)7-5-10(2)6-8-14(19)20/h5,21H,4,6-9H2,1-3H3,(H,19,20)/b10-5+
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n/an/a 89.8n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054016
PNG
((E)-6-(4-Hydroxy-6,7-dimethoxy-3-oxo-1,3-dihydro-i...)
Show SMILES COc1c2COC(=O)c2c(O)c(C\C=C(/C)CCC(O)=O)c1OC
Show InChI InChI=1S/C17H20O7/c1-9(5-7-12(18)19)4-6-10-14(20)13-11(8-24-17(13)21)16(23-3)15(10)22-2/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
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n/an/a 126n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054046
PNG
((E)-6-(4-Hydroxy-7-methyl-3-oxo-1,3-dihydro-isoben...)
Show SMILES C\C(CCC(O)=O)=C/Cc1cc(C)c2COC(=O)c2c1O
Show InChI InChI=1S/C16H18O5/c1-9(4-6-13(17)18)3-5-11-7-10(2)12-8-21-16(20)14(12)15(11)19/h3,7,19H,4-6,8H2,1-2H3,(H,17,18)/b9-3+
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n/an/a 6.96E+3n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054019
PNG
((E)-6-(4-Hydroxy-6,7-dimethyl-3-oxo-1,3-dihydro-is...)
Show SMILES C\C(CCC(O)=O)=C/Cc1c(C)c(C)c2COC(=O)c2c1O
Show InChI InChI=1S/C17H20O5/c1-9(5-7-14(18)19)4-6-12-10(2)11(3)13-8-22-17(21)15(13)16(12)20/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
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n/an/a 18.6n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
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 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))
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 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
3D
3D Structure (crystal)
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
In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.


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


Article DOI: 10.1016/s0960-894x(02)00600-5
BindingDB Entry DOI: 10.7270/Q2SB454K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined


Bioorg Med Chem Lett 12: 3305-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00748-5
BindingDB Entry DOI: 10.7270/Q2Q81CD6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 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)


Article DOI: 10.1016/s0960-894x(02)00944-7
BindingDB Entry DOI: 10.7270/Q2SJ1JZT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(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 55n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type I


Bioorg Med Chem Lett 13: 543-6 (2003)


Article DOI: 10.1016/s0960-894x(02)00944-7
BindingDB Entry DOI: 10.7270/Q2SJ1JZT
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 14n/an/an/an/an/an/a



Bristol-Myers Squibb PRI

Curated by ChEMBL


Assay Description
Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II


Bioorg Med Chem Lett 13: 547-51 (2003)


Article DOI: 10.1016/s0960-894x(02)00945-9
BindingDB Entry DOI: 10.7270/Q2NS0T7H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme


Bioorg Med Chem Lett 13: 3557-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00757-1
BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 11n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(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 32n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH1


Bioorg Med Chem Lett 16: 3479-83 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.097
BindingDB Entry DOI: 10.7270/Q2HH6JP9
More data for this
Ligand-Target Pair
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