BDBM50092804 Agelasine D

SMILES [H][C@]12CCC(=C)[C@@H](CCC(C)=CCn3c[n+](C)c4ncnc(N)c34)[C@]1(C)CCCC2(C)C

InChI Key InChIKey=KYYRJIBWNZAJDQ-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 = 50092804   

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50092804(Agelasine D)
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of human recombinant PTP1B using pNPP as substrate assessed as rate of hydrolysis incubated for 10 mins prior to substrate addition measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2016
Entry Details Article
PubMed