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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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(Bos taurus (Cattle))
TBA

Curated by ChEMBL
LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataKi:  3.09E+3nMpH: 7.2Assay Description:Inhibitory activity against bovine liver dihydrofolate reductase at pH 7.2.More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Bos taurus (Cattle))
TBA

Curated by ChEMBL
LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataKi:  3.09E+3nMpH: 7.2Assay Description:Inhibition of Wnt2/beta-catenin signaling in human A549 cells assessed as inhibition of cell proliferation after 48 hrs by MTT assayMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Gallus gallus (Chicken))
TBA

Curated by ChEMBL
LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataKi:  1.05E+5nMpH: 7.2Assay Description:Inhibitory activity against chicken dihydrofolate reductase at pH 7.2.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Gallus gallus (Chicken))
TBA

Curated by ChEMBL
LigandPNGBDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Affinity DataKi:  1.05E+5nMpH: 7.2Assay Description:Inhibitory activity against chicken dihydrofolate reductase at pH 7.2.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed