BDBM50512604 CHEMBL4464777

SMILES COc1ccc(cc1C#CC(=O)NCc2ccco2)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5

InChI Key InChIKey=LKXRSFQDUFXVGE-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50512604   

TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50512604(CHEMBL4464777)
Affinity DataKi:  398nMAssay Description:Inhibition of human PDE4B catalytic domain incubated for 20 mins using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based luminometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPhosphodiesterase(Trypanosoma brucei)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50512604(CHEMBL4464777)
Affinity DataKi:  501nMAssay Description:Inhibition of Trypanosoma brucei PDEB1 catalytic domain (565 to 918 residues) expressed in Escherichia coli BL21 incubated for 20 mins using cAMP as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)