BDBM18069 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine::CHEMBL22::TMP::Trimethoprim::Trimethoprim (TMP)::US10870625, Compound TMP

SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC

InChI Key InChIKey=IEDVJHCEMCRBQM-UHFFFAOYSA-N

Data  54 KI  225 IC50  1 EC50

PDB links: 28 PDB IDs match this monomer.

  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 3 hits for monomerid = 18069   

TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataIC50: >1.35E+5nMAssay 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
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataIC50:  8.33E+5nMAssay Description:Tested in vitro for serotonin(5-HT) neuronal uptake inhibitionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
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