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BDBM50455396 CHEMBL4211564

SMILES: COc1ccc(cc1OC)C(=O)N1CCc2cc(OC)c(OC3CCCC3)cc2C1

InChI Key: InChIKey=RMJXOMAZYWSGCX-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50455396   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50455396
PNG
(CHEMBL4211564)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCc2cc(OC)c(OC3CCCC3)cc2C1
Show InChI InChI=1S/C24H29NO5/c1-27-20-9-8-17(13-21(20)28-2)24(26)25-11-10-16-12-22(29-3)23(14-18(16)15-25)30-19-6-4-5-7-19/h8-9,12-14,19H,4-7,10-11,15H2,1-3H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.85E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4B using [3H]-cAMP as substrate after 30 mins


Bioorg Med Chem Lett 28: 1188-1193 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.056
BindingDB Entry DOI: 10.7270/Q2W66PBS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50455396
PNG
(CHEMBL4211564)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCc2cc(OC)c(OC3CCCC3)cc2C1
Show InChI InChI=1S/C24H29NO5/c1-27-20-9-8-17(13-21(20)28-2)24(26)25-11-10-16-12-22(29-3)23(14-18(16)15-25)30-19-6-4-5-7-19/h8-9,12-14,19H,4-7,10-11,15H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.83E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of human U937 cells-derived PDE4D using [3H]-cAMP as substrate after 30 mins


Bioorg Med Chem Lett 28: 1188-1193 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.056
BindingDB Entry DOI: 10.7270/Q2W66PBS
More data for this
Ligand-Target Pair