BDBM50028368 2-[4-(2,4-Diamino-pteridin-6-ylmethylsulfanyl)-benzoylamino]-pentanedioic acid::2-[4-(2,4-Diamino-pteridin-6-ylmethylsulfanyl)-benzoylamino]-pentanedioic acid (10-Thioaminopterin)::CHEMBL10591

SMILES Nc1nc(N)c2nc(CSc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1

InChI Key InChIKey=HLKMUFLREZOGEC-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50028368   

TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50028368(2-[4-(2,4-Diamino-pteridin-6-ylmethylsulfanyl)-ben...)
Affinity DataIC50: 4nMAssay Description:Concentration required to inhibit Lactobacillus casei derived Dihydrofolate reductase activity by 50%More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50028368(2-[4-(2,4-Diamino-pteridin-6-ylmethylsulfanyl)-ben...)
Affinity DataIC50: 2.70E+3nMAssay Description:Ability to inhibit human HeLa cell dihydrofolate reductase in vitro was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed