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BDBM50183806 4-(methylsulfonyl)-N-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)benzamide::CHEMBL208236

SMILES: CC(C)(c1cc(-c2cccc(NC(=O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1)S(C)(=O)=O

InChI Key: InChIKey=HGDWTVWVCTUICT-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 = 50183806   
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 4D


(Homo sapiens (Human))
BDBM50183806
PNG
(4-(methylsulfonyl)-N-(3-(6-(2-(methylsulfonyl)prop...)
Show SMILES CC(C)(c1cc(-c2cccc(NC(=O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C27H26N2O5S2/c1-27(2,36(4,33)34)21-15-20-8-6-14-28-25(20)24(17-21)19-7-5-9-22(16-19)29-26(30)18-10-12-23(13-11-18)35(3,31)32/h5-17H,1-4H3,(H,29,30)
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30n/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 4A


(Homo sapiens (Human))
BDBM50183806
PNG
(4-(methylsulfonyl)-N-(3-(6-(2-(methylsulfonyl)prop...)
Show SMILES CC(C)(c1cc(-c2cccc(NC(=O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C27H26N2O5S2/c1-27(2,36(4,33)34)21-15-20-8-6-14-28-25(20)24(17-21)19-7-5-9-22(16-19)29-26(30)18-10-12-23(13-11-18)35(3,31)32/h5-17H,1-4H3,(H,29,30)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/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 4B


(Homo sapiens (Human))
BDBM50183806
PNG
(4-(methylsulfonyl)-N-(3-(6-(2-(methylsulfonyl)prop...)
Show SMILES CC(C)(c1cc(-c2cccc(NC(=O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C27H26N2O5S2/c1-27(2,36(4,33)34)21-15-20-8-6-14-28-25(20)24(17-21)19-7-5-9-22(16-19)29-26(30)18-10-12-23(13-11-18)35(3,31)32/h5-17H,1-4H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/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 4B


(Homo sapiens (Human))
BDBM50183806
PNG
(4-(methylsulfonyl)-N-(3-(6-(2-(methylsulfonyl)prop...)
Show SMILES CC(C)(c1cc(-c2cccc(NC(=O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C27H26N2O5S2/c1-27(2,36(4,33)34)21-15-20-8-6-14-28-25(20)24(17-21)19-7-5-9-22(16-19)29-26(30)18-10-12-23(13-11-18)35(3,31)32/h5-17H,1-4H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+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 4C


(Homo sapiens (Human))
BDBM50183806
PNG
(4-(methylsulfonyl)-N-(3-(6-(2-(methylsulfonyl)prop...)
Show SMILES CC(C)(c1cc(-c2cccc(NC(=O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C27H26N2O5S2/c1-27(2,36(4,33)34)21-15-20-8-6-14-28-25(20)24(17-21)19-7-5-9-22(16-19)29-26(30)18-10-12-23(13-11-18)35(3,31)32/h5-17H,1-4H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10.6n/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