BDBM50535045 CHEMBL4455776

SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O

InChI Key InChIKey=YAYYGLSQUPGOPX-UHFFFAOYSA-N

Data  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50535045   

TargetAdenosine 5'-monophosphoramidase HINT1(Human)
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50535045(CHEMBL4455776)
Affinity DataKd:  810nMAssay Description:Binding affinity to His-tagged human full length HINT1 expressed in Rosetta2 pLysS cells by isothermal titration calorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed