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BDBM50183794 3-isopropyl-1-(4-(methylsulfonyl)phenyl)-1-((3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)methyl)urea::CHEMBL377709

SMILES: CC(C)NC(=O)N(Cc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=RKHSMIVCRGVSAI-UHFFFAOYSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50183794   
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
Phosphodiesterase 4D (PDE4D)


(Homo sapiens (Human))
BDBM50183794
PNG
(3-isopropyl-1-(4-(methylsulfonyl)phenyl)-1-((3-(6-...)
Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H35N3O5S2/c1-21(2)33-30(35)34(26-12-14-27(15-13-26)40(5,36)37)20-22-9-7-10-23(17-22)28-19-25(31(3,4)41(6,38)39)18-24-11-8-16-32-29(24)28/h7-19,21H,20H2,1-6H3,(H,33,35)
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Article
PubMed
n/an/a 0.100n/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)

More data for this
Ligand-Target Pair
cAMP-Specific 3',5'-cyclic phosphodiesterase 4B (PDE4B1)


(Homo sapiens (Human))
BDBM50183794
PNG
(3-isopropyl-1-(4-(methylsulfonyl)phenyl)-1-((3-(6-...)
Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H35N3O5S2/c1-21(2)33-30(35)34(26-12-14-27(15-13-26)40(5,36)37)20-22-9-7-10-23(17-22)28-19-25(31(3,4)41(6,38)39)18-24-11-8-16-32-29(24)28/h7-19,21H,20H2,1-6H3,(H,33,35)
PDB

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 0.100n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens)
BDBM50183794
PNG
(3-isopropyl-1-(4-(methylsulfonyl)phenyl)-1-((3-(6-...)
Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H35N3O5S2/c1-21(2)33-30(35)34(26-12-14-27(15-13-26)40(5,36)37)20-22-9-7-10-23(17-22)28-19-25(31(3,4)41(6,38)39)18-24-11-8-16-32-29(24)28/h7-19,21H,20H2,1-6H3,(H,33,35)
PDB
MMDB

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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-PDE4C


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

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50183794
PNG
(3-isopropyl-1-(4-(methylsulfonyl)phenyl)-1-((3-(6-...)
Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H35N3O5S2/c1-21(2)33-30(35)34(26-12-14-27(15-13-26)40(5,36)37)20-22-9-7-10-23(17-22)28-19-25(31(3,4)41(6,38)39)18-24-11-8-16-32-29(24)28/h7-19,21H,20H2,1-6H3,(H,33,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.100n/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)

More data for this
Ligand-Target Pair
cAMP-Specific 3',5'-cyclic phosphodiesterase 4B (PDE4B1)


(Homo sapiens (Human))
BDBM50183794
PNG
(3-isopropyl-1-(4-(methylsulfonyl)phenyl)-1-((3-(6-...)
Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H35N3O5S2/c1-21(2)33-30(35)34(26-12-14-27(15-13-26)40(5,36)37)20-22-9-7-10-23(17-22)28-19-25(31(3,4)41(6,38)39)18-24-11-8-16-32-29(24)28/h7-19,21H,20H2,1-6H3,(H,33,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/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)

More data for this
Ligand-Target Pair