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

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

InChI Key

Data  13 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50103597   

TargetPotassium-transporting ATPase alpha chain 1/subunit beta(Homo sapiens (Human))
Byk Gulden Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50103597(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Affinity DataIC50:  501nMAssay Description:In vitro evaluation for the inhibition of H+/K+ ATPase at pH < 3 in the gastric glands of isolated rabbit stomach.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2J2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50103597(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50103597(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Affinity DataIC50:  7.50E+4nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50103597(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM50103597(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Affinity DataIC50:  3.50E+4nMAssay 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 analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50103597(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Affinity DataIC50:  9.90E+4nMAssay 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 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Federal University Of Parana

Curated by ChEMBL
LigandPNGBDBM50103597(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Affinity DataIC50:  1.76E+4nMAssay Description:Inhibition of human ABCG2 expressed in human HEK293 cells membrane vesicles mediated transport of 3[H]-MTX for 2 mins using [3H]-methotrexate as subs...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50103597(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Affinity DataIC50: >1.33E+5nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytosolic endo-beta-N-acetylglucosaminidase(Homo sapiens (Human))
University Of Utah

Curated by ChEMBL
LigandPNGBDBM50103597(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of recombinant human C-MYC/DDK-tagged ENGase expressed in HEK293T cells using heat inactivated bovine ribonuclease B as substrate pretreat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlutathione S-transferase omega-1(Homo sapiens (Human))
Monash University

Curated by ChEMBL
LigandPNGBDBM50103597(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Affinity DataIC50:  4.60E+3nMAssay Description:Inhibition of GSTO1-1 (unknown origin) by enzymatic assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens)
Henan Normal University

Curated by ChEMBL
LigandPNGBDBM50103597(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Affinity DataIC50:  2.55E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens)
Henan Normal University

Curated by ChEMBL
LigandPNGBDBM50103597(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Affinity DataIC50:  2.08E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50103597(Antra | CHEBI:77260 | H 168/68 | H-168/68 | Losec ...)
Affinity DataIC50: >1.33E+5nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed