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BDBM50103597 Antra::CHEBI:77260::H 168/68::H-168/68::Losec::OMEPRAZOLE::Omeprazole::Prilosec

SMILES: COc1ccc2[nH]c(nc2c1)[S+]([O-])Cc1ncc(C)c(OC)c1C

InChI Key:

Data: 10 IC50

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 10 hits for monomerid = 50103597   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens (Human))
BDBM50103597
PNG
(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Show SMILES COc1ccc2[nH]c(nc2c1)[S+]([O-])Cc1ncc(C)c(OC)c1C
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n/an/a 501n/an/an/an/an/an/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)


Article DOI: 10.1021/jm00084a010
BindingDB Entry DOI: 10.7270/Q2QJ7KJH
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50103597
PNG
(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Show SMILES COc1ccc2[nH]c(nc2c1)[S+]([O-])Cc1ncc(C)c(OC)c1C
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n/an/a>5.00E+4n/an/an/an/an/an/a



Tongji University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method


Drug Metab Dispos 41: 60-71 (2012)


Article DOI: 10.1124/dmd.112.048264
BindingDB Entry DOI: 10.7270/Q2K0761G
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50103597
PNG
(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Show SMILES COc1ccc2[nH]c(nc2c1)[S+]([O-])Cc1ncc(C)c(OC)c1C
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n/an/a 7.50E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...


Toxicol Sci 118: 485-500 (2010)


Article DOI: 10.1093/toxsci/kfq269
BindingDB Entry DOI: 10.7270/Q26Q20JN
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 2


(Homo sapiens (Human))
BDBM50103597
PNG
(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Show SMILES COc1ccc2[nH]c(nc2c1)[S+]([O-])Cc1ncc(C)c(OC)c1C
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Glutathione transferase omega 1


(Homo sapiens (Human))
BDBM50103597
PNG
(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Show SMILES COc1ccc2[nH]c(nc2c1)[S+]([O-])Cc1ncc(C)c(OC)c1C
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n/an/a 4.60E+3n/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of GSTO1-1 (unknown origin) by enzymatic assay


J Med Chem 61: 7448-7470 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00318
BindingDB Entry DOI: 10.7270/Q23T9KVG
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50103597
PNG
(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Show SMILES COc1ccc2[nH]c(nc2c1)[S+]([O-])Cc1ncc(C)c(OC)c1C
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n/an/a 9.90E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens (Human))
BDBM50103597
PNG
(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Show SMILES COc1ccc2[nH]c(nc2c1)[S+]([O-])Cc1ncc(C)c(OC)c1C
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(Homo sapiens (Human))
BDBM50103597
PNG
(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Show SMILES COc1ccc2[nH]c(nc2c1)[S+]([O-])Cc1ncc(C)c(OC)c1C
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Endo-beta-N-acetylglucosaminidase


(Homo sapiens (Human))
BDBM50103597
PNG
(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Show SMILES COc1ccc2[nH]c(nc2c1)[S+]([O-])Cc1ncc(C)c(OC)c1C
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-MYC/DDK-tagged ENGase expressed in HEK293T cells using heat inactivated bovine ribonuclease B as substrate pretreat...


Bioorg Med Chem Lett 27: 2962-2966 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.010
BindingDB Entry DOI: 10.7270/Q2W66P5J
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50103597
PNG
(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Show SMILES COc1ccc2[nH]c(nc2c1)[S+]([O-])Cc1ncc(C)c(OC)c1C
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n/an/a 3.50E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate upto 10 uM after 45 mins in presence of NADPH by LC-MS/MS analysis


J Med Chem 61: 224-250 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01300
BindingDB Entry DOI: 10.7270/Q289189X
More data for this
Ligand-Target Pair