BDBM50512766 CHEMBL4436770

SMILES CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCc4ccccc4)OC

InChI Key InChIKey=CNKULZYKNGMIIR-UHFFFAOYSA-N

Data  2 KI  2 Kd

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50512766   

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

Curated by ChEMBL
LigandPNGBDBM50512766(CHEMBL4436770)
Affinity DataKd:  79nMAssay Description:Binding affinity to human PDE4D assessed as dissociation constant treated for 320 secs measured for 900 secs by SPR assayMore 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
LigandPNGBDBM50512766(CHEMBL4436770)
Affinity DataKd:  79nMAssay Description:Binding affinity to Trypanosoma brucei PDEB1 assessed as dissociation constant treated for 320 secs measured for 900 secs by SPR assayMore 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
LigandPNGBDBM50512766(CHEMBL4436770)
Affinity DataKi:  158nMAssay Description:Inhibition of Trypanosoma brucei PDEB1 catalytic domain using cAMP as substrate incubated for 20 mins by PDELight HTS cAMP phosphodiesterase Kit base...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Human)
Vrije Universiteit Amsterdam

Curated by ChEMBL
LigandPNGBDBM50512766(CHEMBL4436770)
Affinity DataKi:  794nMAssay Description:Inhibition of human PDE4B catalytic domain using cAMP as substrate incubated for 20 mins 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)