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SMILES: CC(C)(c1cc(-c2cccc(c2)C(=O)Nc2ccccc2)c2ncccc2c1)S(C)(=O)=O

InChI Key: InChIKey=APHANYYADPNRCL-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50183807   
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))
BDBM50183807
PNG
(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)C(=O)Nc2ccccc2)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C26H24N2O3S/c1-26(2,32(3,30)31)21-16-19-11-8-14-27-24(19)23(17-21)18-9-7-10-20(15-18)25(29)28-22-12-5-4-6-13-22/h4-17H,1-3H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Ability to block TNFalpha release through inhibition of PDE4 in LPS-stimulated human whole blood


Bioorg Med Chem Lett 16: 2608-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.043
BindingDB Entry DOI: 10.7270/Q2F18Z9N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50183807
PNG
(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)C(=O)Nc2ccccc2)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C26H24N2O3S/c1-26(2,32(3,30)31)21-16-19-11-8-14-27-24(19)23(17-21)18-9-7-10-20(15-18)25(29)28-22-12-5-4-6-13-22/h4-17H,1-3H3,(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4A


Bioorg Med Chem Lett 16: 2608-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.043
BindingDB Entry DOI: 10.7270/Q2F18Z9N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50183807
PNG
(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)C(=O)Nc2ccccc2)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C26H24N2O3S/c1-26(2,32(3,30)31)21-16-19-11-8-14-27-24(19)23(17-21)18-9-7-10-20(15-18)25(29)28-22-12-5-4-6-13-22/h4-17H,1-3H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 97n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4C


Bioorg Med Chem Lett 16: 2608-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.043
BindingDB Entry DOI: 10.7270/Q2F18Z9N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50183807
PNG
(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)C(=O)Nc2ccccc2)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C26H24N2O3S/c1-26(2,32(3,30)31)21-16-19-11-8-14-27-24(19)23(17-21)18-9-7-10-20(15-18)25(29)28-22-12-5-4-6-13-22/h4-17H,1-3H3,(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.90n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4B


Bioorg Med Chem Lett 16: 2608-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.043
BindingDB Entry DOI: 10.7270/Q2F18Z9N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50183807
PNG
(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)C(=O)Nc2ccccc2)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C26H24N2O3S/c1-26(2,32(3,30)31)21-16-19-11-8-14-27-24(19)23(17-21)18-9-7-10-20(15-18)25(29)28-22-12-5-4-6-13-22/h4-17H,1-3H3,(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4D


Bioorg Med Chem Lett 16: 2608-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.043
BindingDB Entry DOI: 10.7270/Q2F18Z9N
More data for this
Ligand-Target Pair