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 4 hits for monomerid = 18069   

TargetDihydrofolate reductase(Mycobacterium avium)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataIC50:  300nMAssay Description:Inhibition of Mycobacterium avium DHFR at 37 degC by spectrophotometryMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataIC50:  2.80E+3nMAssay Description:Inhibition of Toxoplasma gondii DHFR at 37 degC by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Rattus norvegicus (rat))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataIC50:  1.80E+5nMAssay Description:Inhibition of rat liver DHFR at 37 degC by spectrophotometryMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Pneumocystis carinii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of Pneumocystis carinii DHFR at 37 degC by spectrophotometryMore data for this Ligand-Target Pair