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BDBM50325786 4-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)methoxy)phenyl)-2-methylbutan-2-ol::CHEMBL1221434

SMILES: CC(C)(O)CCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1

InChI Key: InChIKey=KDAUXYRYNLBXOV-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50325786   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50325786
PNG
(4-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES CC(C)(O)CCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C28H27F2NO3/c1-28(2,32)13-12-19-8-10-23(11-9-19)33-18-20-15-22-6-4-14-31-26(22)25(16-20)21-5-3-7-24(17-21)34-27(29)30/h3-11,14-17,27,32H,12-13,18H2,1-2H3
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MMDB

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PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A


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
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50325786
PNG
(4-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES CC(C)(O)CCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C28H27F2NO3/c1-28(2,32)13-12-19-8-10-23(11-9-19)33-18-20-15-22-6-4-14-31-26(22)25(16-20)21-5-3-7-24(17-21)34-27(29)30/h3-11,14-17,27,32H,12-13,18H2,1-2H3
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PubMed
n/an/a 45n/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))
BDBM50325786
PNG
(4-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES CC(C)(O)CCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C28H27F2NO3/c1-28(2,32)13-12-19-8-10-23(11-9-19)33-18-20-15-22-6-4-14-31-26(22)25(16-20)21-5-3-7-24(17-21)34-27(29)30/h3-11,14-17,27,32H,12-13,18H2,1-2H3
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PubMed
n/an/a 64n/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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50325786
PNG
(4-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES CC(C)(O)CCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C28H27F2NO3/c1-28(2,32)13-12-19-8-10-23(11-9-19)33-18-20-15-22-6-4-14-31-26(22)25(16-20)21-5-3-7-24(17-21)34-27(29)30/h3-11,14-17,27,32H,12-13,18H2,1-2H3
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PubMed
n/an/a 0.600n/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
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50325786
PNG
(4-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES CC(C)(O)CCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C28H27F2NO3/c1-28(2,32)13-12-19-8-10-23(11-9-19)33-18-20-15-22-6-4-14-31-26(22)25(16-20)21-5-3-7-24(17-21)34-27(29)30/h3-11,14-17,27,32H,12-13,18H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 151n/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