BDBM50605374 CHEMBL5200527

SMILES CCc1nc2c(C)cc(cn2c1NC(=O)OCc1ccc(F)c(F)c1)-c1ccc(CN2CCSCC2)cc1

InChI Key InChIKey=PTMRCLGFZPFXEV-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 = 50605374   

TargetAutotaxin(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50605374(CHEMBL5200527)
Affinity DataIC50: 287nMAssay Description:Negative allosteric modulation activity against human ATX using FS-3 as substrate preincubated for 45 mins followed by substrate addition and measure...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed