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BDBM50183788 3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)-N-(pyridin-4-yl)benzamide::CHEMBL383837

SMILES: CC(C)(c1cc(-c2cccc(c2)C(=O)Nc2ccncc2)c2ncccc2c1)S(C)(=O)=O

InChI Key: InChIKey=XVFXPIPTQRSUTA-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 = 50183788   
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))
BDBM50183788
PNG
(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)C(=O)Nc2ccncc2)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C25H23N3O3S/c1-25(2,32(3,30)31)20-15-18-8-5-11-27-23(18)22(16-20)17-6-4-7-19(14-17)24(29)28-21-9-12-26-13-10-21/h4-16H,1-3H3,(H,26,28,29)
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 0.900n/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))
BDBM50183788
PNG
(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)C(=O)Nc2ccncc2)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C25H23N3O3S/c1-25(2,32(3,30)31)20-15-18-8-5-11-27-23(18)22(16-20)17-6-4-7-19(14-17)24(29)28-21-9-12-26-13-10-21/h4-16H,1-3H3,(H,26,28,29)
PDB

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Article
PubMed
n/an/a 3n/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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50183788
PNG
(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)C(=O)Nc2ccncc2)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C25H23N3O3S/c1-25(2,32(3,30)31)20-15-18-8-5-11-27-23(18)22(16-20)17-6-4-7-19(14-17)24(29)28-21-9-12-26-13-10-21/h4-16H,1-3H3,(H,26,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 200n/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 4C


(Homo sapiens (Human))
BDBM50183788
PNG
(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)C(=O)Nc2ccncc2)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C25H23N3O3S/c1-25(2,32(3,30)31)20-15-18-8-5-11-27-23(18)22(16-20)17-6-4-7-19(14-17)24(29)28-21-9-12-26-13-10-21/h4-16H,1-3H3,(H,26,28,29)
PDB
MMDB

Reactome pathway
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PubMed
n/an/a 17n/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 4A


(Homo sapiens (Human))
BDBM50183788
PNG
(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)C(=O)Nc2ccncc2)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C25H23N3O3S/c1-25(2,32(3,30)31)20-15-18-8-5-11-27-23(18)22(16-20)17-6-4-7-19(14-17)24(29)28-21-9-12-26-13-10-21/h4-16H,1-3H3,(H,26,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 3.10n/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