new BindingDB logo
myBDB logout

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

Data: 1 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 47032   
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
Tau


(Homo sapiens (Human))
BDBM47032
PNG
(2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...)
Show SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.5n/an/an/an/an/an/an/an/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
PNG
(2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...)
Show SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 6.28E+4n/an/an/an/an/an/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
PNG
(2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...)
Show SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9.40E+4n/an/an/an/an/an/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
PNG
(2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...)
Show SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.20E+3n/an/an/an/an/an/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
PNG
(2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...)
Show SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a 434n/an/an/an/an/an/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