BDBM47032 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole::2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfinyl]-1H-benzimidazole::2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole::2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfinyl]-1H-benzimidazole::LANSOPRAZOLE::MLS-0003247.0001::cid_3883
SMILES: Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
InChI Key: InChIKey=MJIHNNLFOKEZEW-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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Tau (Homo sapiens (Human)) | BDBM47032 (2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Binding affinity to heparin induced human Tau 441 at 50 pM to 500 nM after 30 mins | ACS Med Chem Lett 3: 936-941 (2012) Article DOI: 10.1021/ml300216t BindingDB Entry DOI: 10.7270/Q2Z320TV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM47032 (2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 6.28E+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 | |||||||||||||
Indoleamine 2,3-dioxygenase 1 (Mus musculus) | BDBM47032 (2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 9.40E+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 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 | |||||||||||||
Indoleamine 2,3-dioxygenase 2 (Mus musculus) | BDBM47032 (2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.20E+3 | 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 | |||||||||||||
phosphatase, orphan 1 (Homo sapiens (Human)) | BDBM47032 (2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...) | KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 434 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27S7M52 | |||||||||||
More data for this Ligand-Target Pair |