BDBM50170927 CHEMBL3806216

SMILES c1cnc2c3c(nn2c1)CN(C3)[C@@H]4C[C@@H]([C@H](OC4)c5cc(ccc5F)F)N

InChI Key InChIKey=CEOQJSZJQDMDFU-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

  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 3 hits for monomerid = 50170927   

TargetDipeptidyl peptidase 8(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50170927(CHEMBL3806216)
Affinity DataIC50: 9.10E+4nMAssay Description:Inhibition of DPP8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2017
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50170927(CHEMBL3806216)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of human DPP4More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcyl-protein thioesterase 1(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50170927(CHEMBL3806216)
Affinity DataIC50: 6.20E+4nMAssay Description:Inhibition of human FAPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2017
Entry Details Article
PubMed