BDBM50527531 CHEMBL4524402

SMILES COc1ccc(cc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCN(CC4)c5c6ccccc6nc(n5)N

InChI Key InChIKey=SEVYDVWEYJOUSZ-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 = 50527531   

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

Curated by ChEMBL
LigandPNGBDBM50527531(CHEMBL4524402)
Affinity DataKi:  0.155nMAssay 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
LigandPNGBDBM50527531(CHEMBL4524402)
Affinity DataKi:  25nMAssay 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)