BDBM50241342 5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole::5-Difluoromethoxy-2-(3,4-dimethoxy-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole::6-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole::BY-1023::CHEMBL1502::PANTOPRAZOLE::Protonix::SK&F-96022::SK-96022
SMILES: COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
InChI Key: InChIKey=IQPSEEYGBUAQFF-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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Fatty acid synthase (Homo sapiens (Human)) | BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas... | J Med Chem 58: 778-84 (2015) Article DOI: 10.1021/jm501543u BindingDB Entry DOI: 10.7270/Q20K2B7H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Clinical Pharmacology Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells | Naunyn Schmiedebergs Arch Pharmacol 364: 551-7 (2001) BindingDB Entry DOI: 10.7270/Q2MK6F4H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug and toxin extrusion protein 2 (Homo sapiens (Human)) | BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human)) | BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Netherlands Cancer Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of MTX uptake in membrane vesicle from BCRP-expressing Sf9 cell | Cancer Res 64: 5804-11 (2004) Article DOI: 10.1158/0008-5472.CAN-03-4062 BindingDB Entry DOI: 10.7270/Q2736S69 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug and toxin extrusion protein 1 (Homo sapiens (Human)) | BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 3 (Homo sapiens (Human)) | BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.37E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium-transporting ATPase alpha chain 1/beta chain (Homo sapiens (Human)) | BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | DrugBank PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Byk Gulden Pharmaceuticals Curated by ChEMBL | Assay Description In vitro evaluation for the inhibition of H+/K+ ATPase at pH < 3 in the gastric glands of isolated rabbit stomach. | J Med Chem 35: 1049-57 (1992) BindingDB Entry DOI: 10.7270/Q2QJ7KJH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 2 (Homo sapiens (Human)) | BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug and toxin extrusion protein 1 (Homo sapiens (Human)) | BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug and toxin extrusion protein 1 (Homo sapiens (Human)) | BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysis | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug and toxin extrusion protein 2 (Homo sapiens (Human)) | BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase 2 (Mus musculus) | BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney Curated by ChEMBL | Assay Description Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom... | Bioorg Med Chem Lett 22: 7641-6 (2012) Article DOI: 10.1016/j.bmcl.2012.10.010 BindingDB Entry DOI: 10.7270/Q20G3M92 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase 1 (Mus musculus) | BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.09E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney Curated by ChEMBL | Assay Description Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom... | Bioorg Med Chem Lett 22: 7641-6 (2012) Article DOI: 10.1016/j.bmcl.2012.10.010 BindingDB Entry DOI: 10.7270/Q20G3M92 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fatty acid synthase (Homo sapiens (Human)) | BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas... | J Med Chem 58: 778-84 (2015) Article DOI: 10.1021/jm501543u BindingDB Entry DOI: 10.7270/Q20K2B7H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic Alpha (Homo sapiens (Human)) | BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay | J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ | |||||||||||
More data for this Ligand-Target Pair |