BDBM18512 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine::CHEMBL36::Pyrimethamine (Pyr)::US11530198, Example Pyrimethamine::cid_4993

SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1

InChI Key InChIKey=WKSAUQYGYAYLPV-UHFFFAOYSA-N

Data  42 KI  78 IC50  4 Kd  2 EC50

PDB links: 13 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 3 hits for monomerid = 18512   

TargetDihydrofolate reductase(Homo sapiens (Human))
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataIC50:  1.68E+3nMAssay Description:Inhibition of human DHFR expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed by substrate and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataIC50:  139nMAssay Description:Inhibition of Toxoplasma gondii DHFR-TS expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed b...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))
Vyera Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataIC50:  760nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank