BDBM50527555 CHEMBL4530777

SMILES CC1(CC(=O)N(C(=O)C1)CC(=O)N2CCC(CC2)N3C(=O)[C@@H]4CC=CC[C@@H]4C(=N3)c5ccc(c(c5)OC(F)F)OC(F)F)C

InChI Key InChIKey=WVAQTVIALKSAMT-UHFFFAOYSA-N

Data  2 KI

PDB links: 2 PDB IDs match 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 2 hits for monomerid = 50527555   

TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
University of Antwerp

Curated by ChEMBL
LigandPNGBDBM50527555(CHEMBL4530777)
Affinity DataKi:  0.302nMAssay Description:Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit basedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPhosphodiesterase(Trypanosoma brucei)
University of Antwerp

Curated by ChEMBL
LigandPNGBDBM50527555(CHEMBL4530777)
Affinity DataKi:  407nMAssay Description:Inhibition of Trypanosoma brucei PDEB1 (565 to 918 residues) expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP ph...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)