BDBM50058401 2,4-Diamino-5-[4-chloro-3-[3-[2-(acetyloxy)ethyl]-3-benzyltriazen-1-yl]-4-chlorophenyl]-6-ethylpyrimidine::2,4-Diamino-5-{3-[3-[2-(acetyloxy) ethyl]-3-benzyltriazen-1-yl]-4-chlorophenyl}-6-ethylpyrimidine::2-benzyl[2-chloro-5-(2,4-diamino-6-ethyl-5-pyrimidinyl)phenylazo]aminoethyl acetate::2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]triaz-2-en-1-yl}ethyl acetate::ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER::CHEMBL55764

SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccccc1

InChI Key InChIKey=QKBISNUGIKKCIM-UHFFFAOYSA-N

Data  6 IC50

  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 6 hits for monomerid = 50058401   

TargetDihydrofolate reductase(Pneumocystis carinii)
University of Nottingham

Curated by ChEMBL
LigandPNGBDBM50058401(2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethy...)
Affinity DataIC50: 170nMAssay Description:In vitro inhibitory concentration against Pneumocystis carinii dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Rat)
University of Nottingham

Curated by ChEMBL
LigandPNGBDBM50058401(2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethy...)
Affinity DataIC50: 1.94E+4nMAssay Description:In vitro inhibitory concentration against rat liver dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
University of Nottingham

Curated by ChEMBL
LigandPNGBDBM50058401(2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethy...)
Affinity DataIC50: 690nMAssay Description:Inhibitory concentration against Toxoplasma gondii dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
University of Nottingham

Curated by ChEMBL
LigandPNGBDBM50058401(2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethy...)
Affinity DataIC50: 690nMAssay Description:Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Rat)
University of Nottingham

Curated by ChEMBL
LigandPNGBDBM50058401(2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethy...)
Affinity DataIC50: 1.94E+4nMAssay Description:Inhibitory activity against dihydrofolate reductase DHFR in rat liverMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50058401(2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethy...)
Affinity DataIC50: 170nMAssay Description:In vitro inhibition of Pneumocystis carinii (Pc) dihydrofolate reductase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed