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BDBM50113417 4-{2-(3,4-Bis-difluoromethoxy-phenyl)-2-[4-(4-fluoro-phenoxymethyl)-phenyl]-ethyl}-pyridine 1-oxide::CHEMBL36348

SMILES: [O-][n+]1ccc(CC(c2ccc(COc3ccc(F)cc3)cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1

InChI Key: InChIKey=FEFSLMNTYQAHQW-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 = 50113417   
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))
BDBM50113417
PNG
(4-{2-(3,4-Bis-difluoromethoxy-phenyl)-2-[4-(4-fluo...)
Show SMILES [O-][n+]1ccc(CC(c2ccc(COc3ccc(F)cc3)cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
Show InChI InChI=1S/C28H22F5NO4/c29-22-6-8-23(9-7-22)36-17-19-1-3-20(4-2-19)24(15-18-11-13-34(35)14-12-18)21-5-10-25(37-27(30)31)26(16-21)38-28(32)33/h1-14,16,24,27-28H,15,17H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...


Bioorg Med Chem Lett 12: 1457-61 (2002)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113417
PNG
(4-{2-(3,4-Bis-difluoromethoxy-phenyl)-2-[4-(4-fluo...)
Show SMILES [O-][n+]1ccc(CC(c2ccc(COc3ccc(F)cc3)cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
Show InChI InChI=1S/C28H22F5NO4/c29-22-6-8-23(9-7-22)36-17-19-1-3-20(4-2-19)24(15-18-11-13-34(35)14-12-18)21-5-10-25(37-27(30)31)26(16-21)38-28(32)33/h1-14,16,24,27-28H,15,17H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...


Bioorg Med Chem Lett 12: 1457-61 (2002)

More data for this
Ligand-Target Pair