BDBM50059954 2-(4-{[4-(2,4-Diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenylamino]-methyl}-benzoylamino)-pentanedioic acid diethyl ester::CHEMBL102447

SMILES CCOC(=O)CCC(NC(=O)c1ccc(CNc2ccc(cc2[N+]([O-])=O)-c2c(N)nc(N)nc2CC)cc1)C(=O)OCC

InChI Key InChIKey=QHQRTRHLFGXTBK-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 50059954   

TargetDihydrofolate reductase(Rat)
University

Curated by ChEMBL
LigandPNGBDBM50059954(2-(4-{[4-(2,4-Diamino-6-ethyl-pyrimidin-5-yl)-2-ni...)
Affinity DataIC50: 6.70nMAssay Description:Inhibitory activity against Dihydrofolate reductase from rat liver was evaluated using 90 uM dihydrofolic acid as substrateMore 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

Curated by ChEMBL
LigandPNGBDBM50059954(2-(4-{[4-(2,4-Diamino-6-ethyl-pyrimidin-5-yl)-2-ni...)
Affinity DataIC50: 7.10nMAssay Description:Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii was evaluated using 90 uM dihydrofolic acid as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Pneumocystis carinii)
University

Curated by ChEMBL
LigandPNGBDBM50059954(2-(4-{[4-(2,4-Diamino-6-ethyl-pyrimidin-5-yl)-2-ni...)
Affinity DataIC50: 450nMAssay Description:Inhibitory activity against Dihydrofolate reductase from Pneumocystis carinii was evaluated using 90 uM dihydrofolic acid as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed