BDBM50320948 (3S,20S,23S)-3-(3',5'-Difluorobenzylamino)-20,23-dihydroxydammar-24-en-21-oic acid-21,23-lactone::CHEMBL1163241

SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6](-[#6]-[#6][C@]23[#6])-[#7]-[#6]-c2cc(F)cc(F)c2)[#6](=O)-[#8]1

InChI Key InChIKey=IOCAPEYNPCADLD-UHFFFAOYSA-N

Data  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 1 hit for monomerid = 50320948   

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50320948((3S,20S,23S)-3-(3',5'-Difluorobenzylamino)-20,23-d...)
Affinity DataIC50: 1.16E+4nMAssay Description:Inhibition of PTP1B by pNPP hydrolase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2010
Entry Details Article
PubMed