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
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 18069   

TargetDihydrofolate reductase(Homo sapiens (Human))
Comsats University Islamabad

Curated by ChEMBL
LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataKi:  10nMAssay Description:Inhibition of human DHFR assessed by NADPH oxidation measured by spectrophotometric methodMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Leishmania major)
Comsats University Islamabad

Curated by ChEMBL
LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataKi:  120nMAssay Description:Inhibition of Leishmania major DHFR assessed by NADPH oxidation measured by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Leishmania major)
Comsats University Islamabad

Curated by ChEMBL
LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataIC50:  2.05E+4nMAssay Description:Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Comsats University Islamabad

Curated by ChEMBL
LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataIC50:  1.03E+3nMAssay Description:Inhibition of recombinant human DHFR measured by spectrophotometric methodMore data for this Ligand-Target Pair