BDBM19264 (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid::(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid::CHEMBL866::MPA (1)::Mycophenolic Acid (MPA)::Myfortic

SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O

InChI Key InChIKey=HPNSFSBZBAHARI-RUDMXATFSA-N

Data  22 KI  25 IC50  1 Kd  1 EC50

PDB links: 9 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 48 hits for monomerid = 19264   

TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  6nMAssay Description:Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II isoform); Range is 6-10 nMMore data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  7nMAssay Description:Inhibition of human IMPDH2 by SpectrophotometerMore data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  7nM ΔG°:  -11.1kcal/molepH: 8.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  10nMAssay Description:Inhibition of human IMPDH 2More data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  10nMAssay Description:Inhibition of human IMP dehydrogenase 2More data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  10nMAssay Description:Inhibition of human IMPDH2More data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  10nMAssay Description:Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II)More data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 1(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  33nMAssay Description:Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I isoform); Range is 33-37 nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetInosine-5'-monophosphate dehydrogenase 1(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  33nM ΔG°:  -10.2kcal/molepH: 8.0 T: 2°CAssay Description:Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetInosine-5'-monophosphate dehydrogenase 1(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  33nMAssay Description:Inhibition of human IMPDH1 by SpectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetInosine-5'-monophosphate dehydrogenase 1(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  40nMAssay Description:Inhibition of human IMPDH1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetInosine-5'-monophosphate dehydrogenase 1(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  40nMAssay Description:Inhibition of human IMPDH 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetInosine-5'-monophosphate dehydrogenase 1(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  40nMAssay Description:Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetInosine-5'-monophosphate dehydrogenase 1(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  40nMAssay Description:Inhibition of human IMP dehydrogenase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetUDP-glucuronosyltransferase 2B7(Homo sapiens (Human))
University Of Rhode Island

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  1.50E+3nMAssay Description:Uncompetitive substrate inhibition of UGT2B7 in diabetic human kidney microsomes assessed as reduction in enzyme-mediated mycophenolic acid phenolic ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 2B7(Homo sapiens (Human))
University Of Rhode Island

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  1.50E+3nMAssay Description:Uncompetitive substrate inhibition of UGT2B7 in diabetic human liver microsomes assessed as reduction in enzyme-mediated mycophenolic acid phenolic 7...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 2B7(Homo sapiens (Human))
University Of Rhode Island

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  1.50E+3nMAssay Description:Uncompetitive substrate inhibition of UGT2B7 in non-diabetic human liver microsomes assessed as reduction in enzyme-mediated mycophenolic acid phenol...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 2B7(Homo sapiens (Human))
University Of Rhode Island

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  1.50E+3nMAssay Description:Uncompetitive substrate inhibition of UGT2B7 in non-diabetic human kidney microsomes assessed as reduction in enzyme-mediated mycophenolic acid pheno...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 2B7(Homo sapiens (Human))
University Of Rhode Island

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  2.00E+3nMAssay Description:Uncompetitive substrate inhibition of UGT2B7 in non-diabetic human liver microsomes assessed as reduction in enzyme-mediated mycophenolic acid acyl g...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 2B7(Homo sapiens (Human))
University Of Rhode Island

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  2.00E+3nMAssay Description:Uncompetitive substrate inhibition of UGT2B7 in non-diabetic human kidney microsomes assessed as reduction in enzyme-mediated mycophenolic acid acyl ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 2B7(Homo sapiens (Human))
University Of Rhode Island

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  2.00E+3nMAssay Description:Uncompetitive substrate inhibition of UGT2B7 in diabetic human liver microsomes assessed as reduction in enzyme-mediated mycophenolic acid acyl glucu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 2B7(Homo sapiens (Human))
University Of Rhode Island

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKi:  2.00E+3nMAssay Description:Uncompetitive substrate inhibition of UGT2B7 in diabetic human kidney microsomes assessed as reduction in enzyme-mediated mycophenolic acid acyl gluc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  250nMAssay Description:Inhibition of human IMPDH2 using IMP as substrate in presence of NAD+ after 30 minsMore data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase(Cryptococcus neoformans var. neoformans serotype D...)
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  120nMAssay Description:Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NADMore data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  110nMAssay Description:Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NADMore data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  630nMAssay Description:Inhibition of IMPDH2 using inosine 5'-monophosphate as substrate by spectrophotometryMore data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 1/2(Homo sapiens (Human))
Roche Discovery Welwyn

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenaseMore data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  14nMAssay Description:Inhibition of human inosine-5'-monophosphate dehydrogenase 2More data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of IMPDH2More data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  12nMAssay Description:Inhibition of human IMPDH2 expressed in Escherichia coli strain BL21(DE3) after 60 minsMore data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 1(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  19nMAssay Description:Inhibition of human IMPDH1 expressed in Escherichia coli strain BL21(DE3) after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataKd:  1.10E+5nMAssay Description:Binding affinity to PPARgammaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInosine-5'-monophosphate dehydrogenase 1(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  32nMAssay Description:Inhibition of human IMPDH1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetLanosterol synthase(Homo sapiens (Human))
The University Of Queensland

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  260nMAssay Description:Inhibition of recombinant human His-tagged IMPDH1 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NADMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  15nMAssay Description:Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzymeMore data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  14nMAssay Description:Inhibitory activity against inosine monophosphate dehydrogenase IMPDH IIMore data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 1(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  55nMAssay Description:Inhibitory activity of the compound against inosine monophosphate dehydrogenase IMPDH type IMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  14nMAssay Description:Inhibition of human inosine monophosphate dehydrogenase IMPDH IIMore data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  15nMAssay Description:Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determinedMore data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  15nMAssay Description:In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.More data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  15nMAssay Description:Inhibition of Inosine Monophosphate Dehydrogenase II (IMPDH II)More data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  15nMAssay Description:Inhibition of human Inosine-5'-monophosphate dehydrogenase 2More data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  24.8nMpH: 8.0Assay Description:Compound was tested for inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at pH 8.0More data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  25nMpH: 8.0Assay Description:Compound was tested for inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at pH 8.0More data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 1(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  20nMAssay Description:In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  130nMpH: 8.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  16nM EC50:  540nMpH: 8.0 T: 2°CAssay Description:Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored b...More data for this Ligand-Target Pair
TargetInosine-5'-monophosphate dehydrogenase 2(Homo sapiens (Human))
Codon Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM19264((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Affinity DataIC50:  11nMAssay Description:Inhibition of human IMPDH2More data for this Ligand-Target Pair