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BDBM50183789 CHEMBL204522::N-(4-(methylsulfonyl)phenyl)-N-(1-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)ethyl)acetamide

SMILES: CC(N(C(C)=O)c1ccc(cc1)S(C)(=O)=O)c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O

InChI Key: InChIKey=OLDNCOKMXZXSQN-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 = 50183789   
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 4C


(Homo sapiens (Human))
BDBM50183789
PNG
(CHEMBL204522 | N-(4-(methylsulfonyl)phenyl)-N-(1-(...)
Show SMILES CC(N(C(C)=O)c1ccc(cc1)S(C)(=O)=O)c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C30H32N2O5S2/c1-20(32(21(2)33)26-12-14-27(15-13-26)38(5,34)35)22-9-7-10-23(17-22)28-19-25(30(3,4)39(6,36)37)18-24-11-8-16-31-29(24)28/h7-20H,1-6H3
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 41n/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))
BDBM50183789
PNG
(CHEMBL204522 | N-(4-(methylsulfonyl)phenyl)-N-(1-(...)
Show SMILES CC(N(C(C)=O)c1ccc(cc1)S(C)(=O)=O)c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C30H32N2O5S2/c1-20(32(21(2)33)26-12-14-27(15-13-26)38(5,34)35)22-9-7-10-23(17-22)28-19-25(30(3,4)39(6,36)37)18-24-11-8-16-31-29(24)28/h7-20H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


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-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))
BDBM50183789
PNG
(CHEMBL204522 | N-(4-(methylsulfonyl)phenyl)-N-(1-(...)
Show SMILES CC(N(C(C)=O)c1ccc(cc1)S(C)(=O)=O)c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C30H32N2O5S2/c1-20(32(21(2)33)26-12-14-27(15-13-26)38(5,34)35)22-9-7-10-23(17-22)28-19-25(30(3,4)39(6,36)37)18-24-11-8-16-31-29(24)28/h7-20H,1-6H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.00E+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 4D


(Homo sapiens (Human))
BDBM50183789
PNG
(CHEMBL204522 | N-(4-(methylsulfonyl)phenyl)-N-(1-(...)
Show SMILES CC(N(C(C)=O)c1ccc(cc1)S(C)(=O)=O)c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C30H32N2O5S2/c1-20(32(21(2)33)26-12-14-27(15-13-26)38(5,34)35)22-9-7-10-23(17-22)28-19-25(30(3,4)39(6,36)37)18-24-11-8-16-31-29(24)28/h7-20H,1-6H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 6.70n/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))
BDBM50183789
PNG
(CHEMBL204522 | N-(4-(methylsulfonyl)phenyl)-N-(1-(...)
Show SMILES CC(N(C(C)=O)c1ccc(cc1)S(C)(=O)=O)c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C30H32N2O5S2/c1-20(32(21(2)33)26-12-14-27(15-13-26)38(5,34)35)22-9-7-10-23(17-22)28-19-25(30(3,4)39(6,36)37)18-24-11-8-16-31-29(24)28/h7-20H,1-6H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.20n/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