BDBM50403559 Brumetadina::CIMETIDINE

SMILES CNC(NCCSCc1[nH]cnc1C)=NC#N

InChI Key InChIKey=AQIXAKUUQRKLND-UHFFFAOYSA-N

Data  9 KI  8 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 8 hits for monomerid = 50403559   

TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50403559(Brumetadina | CIMETIDINE)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H2 receptor(Homo sapiens (Human))
University Of Missouri

Curated by ChEMBL
LigandPNGBDBM50403559(Brumetadina | CIMETIDINE)
Affinity DataIC50:  140nMAssay Description:Binding affinity to human histamine H2 receptor by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50403559(Brumetadina | CIMETIDINE)
Affinity DataIC50: >5.00E+4nMAssay Description:TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H2 receptor(Homo sapiens (Human))
University Of Missouri

Curated by ChEMBL
LigandPNGBDBM50403559(Brumetadina | CIMETIDINE)
Affinity DataIC50:  270nMAssay Description:Binding affinity to human histamine H2 receptor by radioligand displacement assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 2(RAT)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50403559(Brumetadina | CIMETIDINE)
Affinity DataIC50:  3.73E+5nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (TEA: 100 uM) in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 2(Mus musculus)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50403559(Brumetadina | CIMETIDINE)
Affinity DataIC50:  8.00E+3nMAssay Description:TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(Mus musculus)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50403559(Brumetadina | CIMETIDINE)
Affinity DataIC50:  590nMAssay Description:TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(RAT)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50403559(Brumetadina | CIMETIDINE)
Affinity DataIC50:  3.29E+5nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (TEA: 100 uM) in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed