BDBM50161778 (S)-3-[4-(5-Dimethylamino-naphthalene-1-sulfonyloxy)-phenyl]-2-(1-oxa-2,3-diaza-cyclopenta[a]naphthalene-5-sulfonylamino)-propionic acid::CHEMBL179448::Dansyltyrosine deriviative 33B

SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc3nnoc3c3ccccc23)C(O)=O)cc1

InChI Key InChIKey=VPWDSJXYLFJZOZ-SANMLTNESA-N

Data  3 KI  1 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 4 hits for monomerid = 50161778   

TargetThymidylate synthase(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50161778((S)-3-[4-(5-Dimethylamino-naphthalene-1-sulfonylox...)
Affinity DataKi:  1.5nMAssay Description:Inhibitory constant against human thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Università

Curated by ChEMBL
LigandPNGBDBM50161778((S)-3-[4-(5-Dimethylamino-naphthalene-1-sulfonylox...)
Affinity DataKi:  1.60nMAssay Description:Inhibitory constant against thymidylate synthase from Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Escherichia coli)
Università

Curated by ChEMBL
LigandPNGBDBM50161778((S)-3-[4-(5-Dimethylamino-naphthalene-1-sulfonylox...)
Affinity DataKi:  15nMAssay Description:Inhibitory constant against thymidylate synthase from Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Università

Curated by ChEMBL
LigandPNGBDBM50161778((S)-3-[4-(5-Dimethylamino-naphthalene-1-sulfonylox...)
Affinity DataIC50:  1.35E+4nMpH: 7.4 T: 2°CAssay Description:The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed