BDBM50241343 (RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl) methylsulfinyl)-1H-benzo[d]imidazole::(omeprazole)5-Methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole::2-(3-methoxy-2,4-dimethylbenzylsulfinyl)-6-methoxy-1H-benzo[d]imidazole::5-Methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole::5-Methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole (omeprazole)::5-Methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole(omeprazole)::5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole::5-methoxy-2-(2-(4-methoxy-3,5-dimethylpyridin-2-yl)ethylsulfinyl)-1H-benzo[d]imidazole::6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole::CHEMBL1503::ESOMEPRAZOLE SODIUM::H-168/68::OMEPRAZOLE::Omeprazole (OMP)::Prilosec::cid_4594

SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C

InChI Key InChIKey=SUBDBMMJDZJVOS-UHFFFAOYSA-N

Data  2 KI  20 IC50  3 Kd  1 EC50

  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 26 hits for monomerid = 50241343   

TargetFatty acid synthase(Homo sapiens (Human))
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataKi:  3.40E+3nMAssay Description:Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Astrazeneca R&D

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataKi:  4.50E+4nMAssay Description:Binding affinity towards cytochrome P450 2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBifunctional cytochrome P450/NADPH--P450 reductase [F87V](Bacillus megaterium)
University Of Manchester

LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataKd:  4.90E+4nMpH: 7.0Assay Description:Dissociation constants (Kd values) for binding of the substrates N-palmitoylglycine (NPG) and omeprazole (OMP) to WT and mutant BM3 heme domains were...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional cytochrome P450/NADPH--P450 reductase [A82F,F87V](Bacillus megaterium)
University Of Manchester

LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataKd:  212nMpH: 7.0Assay Description:Dissociation constants (Kd values) for binding of the substrates N-palmitoylglycine (NPG) and omeprazole (OMP) to WT and mutant BM3 heme domains were...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
Guangzhou Institutes Of Biomedicine And Health, Chinese Academy Of Sciences

LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  5.60E+4nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A4(Homo sapiens (Human))
Guangzhou Institutes Of Biomedicine And Health, Chinese Academy Of Sciences

LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50: >3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1-6(Homo sapiens (Human))
Guangzhou Institutes Of Biomedicine And Health, Chinese Academy Of Sciences

LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  1.85E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 2B7(Homo sapiens (Human))
Guangzhou Institutes Of Biomedicine And Health, Chinese Academy Of Sciences

LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50: >3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 2B10(Homo sapiens (Human))
Guangzhou Institutes Of Biomedicine And Health, Chinese Academy Of Sciences

LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50: >3.00E+5nMAssay Description:Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium-transporting ATPase alpha chain 1/subunit beta(Sus scrofa (Pig))
Tanabe Seiyaku

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  3.80E+3nMAssay Description:In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesiclesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium-transporting ATPase alpha chain 1/subunit beta(Homo sapiens (Human))
Dainippon Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  370nMAssay Description:Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetFatty acid synthase(Homo sapiens (Human))
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  2.96E+4nMAssay Description:Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBombesin receptor subtype-3(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataEC50:  1.40E+4nMAssay Description:Agonist activity at recombinant BRS-3 receptor (unknown origin) expressed in baculovirus-transduced HEK293 cells assessed as intracellular calcium mo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  7.80E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  9.72E+4nMAssay Description:Concentration required for 50% inhibition at binding site of human P-Glycoprotein (P-gp) in one-affinity modelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  9.12E+4nMAssay Description:Concentration required for 50% inhibition at binding site of human P-Glycoprotein (P-gp) in one-affinity modelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  8.90E+4nMAssay Description:Concentration required for 50% inhibition at binding site of human P-Glycoprotein (P-gp) in one-affinity modelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium-transporting ATPase alpha chain 1/subunit beta(Homo sapiens (Human))
Dainippon Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  2.24E+4nMAssay Description:Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparationsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  1.77E+4nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium-transporting ATPase alpha chain 1/subunit beta(Homo sapiens (Human))
Dainippon Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  280nMAssay Description:Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetPotassium-transporting ATPase alpha chain 1/subunit beta(Homo sapiens (Human))
Dainippon Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  250nMAssay Description:Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetPotassium-transporting ATPase alpha chain 1/subunit beta(Homo sapiens (Human))
Dainippon Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  3.80E+3nMpH: 7.4Assay Description:Inhibition of H+/K+ ATPase activity in buffered solution (pH 7.4)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetPotassium-transporting ATPase alpha chain 1/subunit beta(Sus scrofa (Pig))
Tanabe Seiyaku

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  5.00E+4nMAssay Description:Activity was evaluated by measuring the inhibition of isolated hog H+/K+ ATPaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium-transporting ATPase alpha chain 1/subunit beta(Homo sapiens (Human))
Dainippon Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  2.00E+3nMAssay Description:In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataIC50:  3.14E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBifunctional cytochrome P450/NADPH--P450 reductase [A82F](Bacillus megaterium)
University Of Manchester

LigandPNGBDBM50241343((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Affinity DataKd:  1.67E+3nMpH: 7.0Assay Description:Dissociation constants (Kd values) for binding of the substrates N-palmitoylglycine (NPG) and omeprazole (OMP) to WT and mutant BM3 heme domains were...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed