BDBM50525175 CHEMBL4520636

SMILES COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3cccc4

InChI Key InChIKey=PIORUUQSJASDET-UHFFFAOYSA-N

Data  2 IC50

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 4 hits for monomerid = 50525175   

TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50525175(CHEMBL4520636 | US12145923, Compound (S)-A1)
Affinity DataIC50: 270nMAssay Description:Inhibition of recombinant human PDE4D catalytic domain using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50525175(CHEMBL4520636 | US12145923, Compound (S)-A1)
Affinity DataIC50: 2.73E+3nMAssay Description:Inhibition of PDE4 in human PBMC assessed as reduction in LPS-stimulated TNFalpha production preincubated for 1 hr followed by LPS stimulation and me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50525175(CHEMBL4520636 | US12145923, Compound (S)-A1)
Affinity DataIC50: 2.70E+5nMAssay Description:The scintillation Proximity Assay (SPA) method was used to determine the inhibitory effect of compounds on the activity of PDE4D catalytic domain. Hu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/8/2025
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50525175(CHEMBL4520636 | US12145923, Compound (S)-A1)
Affinity DataIC50: 3.80E+5nMAssay Description:The scintillation Proximity Assay (SPA) method was used to determine the inhibitory effect of compounds on the activity of PDE4D catalytic domain. Hu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/8/2025
Entry Details
US Patent
PDB3D3D Structure (crystal)