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   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataIC50:  390nMAssay Description:Compound was tested for inhibition activity against toxoplasma gondii (T. gondii) Dihydrofolate reductaseMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Pneumocystis carinii)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataIC50:  2.40E+3nMAssay Description:Compound was tested for inhibition activity against pneumocystis carinii (P. carinii) Dihydrofolate reductaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Rattus norvegicus (rat))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Affinity DataIC50:  1.50E+3nMAssay Description:Compound was tested for inhibition activity against rat liver lipophilic Dihydrofolate reductase (DHFR).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed