BDBM18246 (2S)-2-{[4-({2,4-diamino-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl}sulfanyl)phenyl]formamido}pentanedioic acid::Pyrrolo[2, 3-d]pyrimidine analogue, 2

SMILES CCc1c(Sc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[nH]c2nc(N)nc(N)c12

InChI Key InChIKey=ZXZRTAHHFWSMGX-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  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 2 hits for monomerid = 18246   

TargetDihydrofolate reductase(Escherichia coli (strain K12))
Duquesne University

LigandPNGBDBM18246((2S)-2-{[4-({2,4-diamino-5-ethyl-7H-pyrrolo[2,3-d]...)
Affinity DataIC50: 2nMpH: 7.4 T: 2°CAssay Description:Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/8/2007
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Duquesne University

LigandPNGBDBM18246((2S)-2-{[4-({2,4-diamino-5-ethyl-7H-pyrrolo[2,3-d]...)
Affinity DataIC50: 66nM EC50:  68nMAssay Description:Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/8/2007
Entry Details Article
PubMed