new BindingDB logo
myBDB logout

BDBM50325788 2-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)methoxy)phenyl)acetic acid::CHEMBL1223687

SMILES: OC(=O)Cc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1

InChI Key: InChIKey=GKHODUKSOBLBHU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50325788   
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))
BDBM50325788
PNG
(2-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES OC(=O)Cc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C25H19F2NO4/c26-25(27)32-21-5-1-3-18(14-21)22-12-17(11-19-4-2-10-28-24(19)22)15-31-20-8-6-16(7-9-20)13-23(29)30/h1-12,14,25H,13,15H2,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50325788
PNG
(2-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES OC(=O)Cc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C25H19F2NO4/c26-25(27)32-21-5-1-3-18(14-21)22-12-17(11-19-4-2-10-28-24(19)22)15-31-20-8-6-16(7-9-20)13-23(29)30/h1-12,14,25H,13,15H2,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50325788
PNG
(2-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES OC(=O)Cc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C25H19F2NO4/c26-25(27)32-21-5-1-3-18(14-21)22-12-17(11-19-4-2-10-28-24(19)22)15-31-20-8-6-16(7-9-20)13-23(29)30/h1-12,14,25H,13,15H2,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50325788
PNG
(2-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES OC(=O)Cc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C25H19F2NO4/c26-25(27)32-21-5-1-3-18(14-21)22-12-17(11-19-4-2-10-28-24(19)22)15-31-20-8-6-16(7-9-20)13-23(29)30/h1-12,14,25H,13,15H2,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair