BDBM50103595 Brumetadina::CHEBI:3699::Cimetidine::Tagamet::Tagamet HB::Tagamet HB 200::Valmagen

SMILES CN\C(NC#N)=N/CCSCc1nc[nH]c1C

InChI Key InChIKey=AQIXAKUUQRKLND-UHFFFAOYSA-N

Data  4 KI  11 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 15 hits for monomerid = 50103595   

TargetHistamine H2 receptor(Cavia porcellus (domestic guinea pig))
Freie Universit£T Berlin

Curated by ChEMBL
LigandPNGBDBM50103595(Brumetadina | CHEBI:3699 | Cimetidine | Tagamet | ...)
Affinity DataKi:  302nMAssay Description:Inhibition of [125I]APT binding to H2 receptors in guinea pig cerebral membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 8(Rattus norvegicus)
University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM50103595(Brumetadina | CHEBI:3699 | Cimetidine | Tagamet | ...)
Affinity DataKi:  4.68E+4nMAssay Description:TP_TRANSPORTER: inhibition of PCG uptake in OAT3-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50103595(Brumetadina | CHEBI:3699 | Cimetidine | Tagamet | ...)
Affinity DataKi:  1.66E+5nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSolute carrier family 22 member 6(Rattus norvegicus)
University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM50103595(Brumetadina | CHEBI:3699 | Cimetidine | Tagamet | ...)
Affinity DataKi: >1.00E+6nMAssay Description:TP_TRANSPORTER: inhibition of PAH uptake in Oat1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50103595(Brumetadina | CHEBI:3699 | Cimetidine | Tagamet | ...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50103595(Brumetadina | CHEBI:3699 | Cimetidine | Tagamet | ...)
Affinity DataIC50: >1.33E+5nMAssay 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
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50103595(Brumetadina | CHEBI:3699 | Cimetidine | Tagamet | ...)
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
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50103595(Brumetadina | CHEBI:3699 | Cimetidine | Tagamet | ...)
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
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50103595(Brumetadina | CHEBI:3699 | Cimetidine | Tagamet | ...)
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
TargetSolute carrier family 22 member 4(Rattus norvegicus)
Medical College Of Georgia

Curated by ChEMBL
LigandPNGBDBM50103595(Brumetadina | CHEBI:3699 | Cimetidine | Tagamet | ...)
Affinity DataIC50:  1.50E+6nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake in Octn1-HRPE cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H2 receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50103595(Brumetadina | CHEBI:3699 | Cimetidine | Tagamet | ...)
Affinity DataIC50:  1.00E+3nMAssay Description:Displacement of [125I]APT from human recombinant H2 receptor expressed in CHO cells measured after 120 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H2 receptor(Cavia porcellus (domestic guinea pig))
Freie Universit£T Berlin

Curated by ChEMBL
LigandPNGBDBM50103595(Brumetadina | CHEBI:3699 | Cimetidine | Tagamet | ...)
Affinity DataIC50:  1.46E+4nMAssay Description:Histamine H2 receptor antagonistic activityMore data for this Ligand-Target Pair
In DepthDetails
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50103595(Brumetadina | CHEBI:3699 | Cimetidine | Tagamet | ...)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibition of human MATE1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2J2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50103595(Brumetadina | CHEBI:3699 | Cimetidine | Tagamet | ...)
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
TargetHistamine H2 receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50103595(Brumetadina | CHEBI:3699 | Cimetidine | Tagamet | ...)
Affinity DataIC50:  1.00E+3nMAssay Description:Displacement of [125I]APT from human recombinant histamine H2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed