BDBM50198181 CHEMBL3941804

SMILES COc1cc2ccc3c(c2cc1OC)C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N

InChI Key InChIKey=NXPAPTOHRVIGJL-UHFFFAOYSA-N

Data  1 IC50  2 Kd

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 = 50198181   

TargetDipeptidyl peptidase 4(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50198181(CHEMBL3941804)
Affinity DataKd:  2.40nMAssay Description:Binding affinity to DPP4 (unknown origin) assessed as dissociation constant by SPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 4(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50198181(CHEMBL3941804)
Affinity DataIC50: 2.10nMAssay Description:Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 4(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50198181(CHEMBL3941804)
Affinity DataKd:  2.40nMAssay Description:Binding affinity to DPP4 (unknown origin) expressed in baculovirus expressing systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)