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(Staphylococcus aureus)
University Of Connecticut

LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataIC50:  23nMAssay Description:IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Staphylococcus aureus)
University Of Connecticut

LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataIC50:  3.80E+5nMAssay Description:IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase type 1 from Tn4003(Staphylococcus aureus)
University Of Connecticut

LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataIC50:  1.51E+4nMAssay Description:IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Staphylococcus aureus)
University Of Connecticut

LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataIC50:  4.30E+4nMAssay Description:IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed