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BDBM50358828 CHEMBL1922946

SMILES: CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1cccs1)c2C(=O)OCC

InChI Key: InChIKey=ZDMGIZFQKKDWAO-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50358828   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50358828
PNG
(CHEMBL1922946)
Show SMILES CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1cccs1)c2C(=O)OCC
Show InChI InChI=1S/C19H22N2O5S2/c1-3-25-18(23)16-13-7-8-21(19(24)26-4-2)11-14(13)28-17(16)20-15(22)10-12-6-5-9-27-12/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem Lett 21: 7089-93 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.109
BindingDB Entry DOI: 10.7270/Q2D21Z1F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)