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BDBM50183798 1-((2-fluoro-5-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)methyl)-3-isopropyl-1-(4-(methylsulfonyl)phenyl)urea::CHEMBL208100

SMILES: CC(C)NC(=O)N(Cc1cc(ccc1F)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=XPEZNWWCRUWHBE-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 = 50183798   
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 4A


(Homo sapiens (Human))
BDBM50183798
PNG
(1-((2-fluoro-5-(6-(2-(methylsulfonyl)propan-2-yl)q...)
Show SMILES CC(C)NC(=O)N(Cc1cc(ccc1F)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H34FN3O5S2/c1-20(2)34-30(36)35(25-10-12-26(13-11-25)41(5,37)38)19-23-16-21(9-14-28(23)32)27-18-24(31(3,4)42(6,39)40)17-22-8-7-15-33-29(22)27/h7-18,20H,19H2,1-6H3,(H,34,36)
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n/an/a 0.600n/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))
BDBM50183798
PNG
(1-((2-fluoro-5-(6-(2-(methylsulfonyl)propan-2-yl)q...)
Show SMILES CC(C)NC(=O)N(Cc1cc(ccc1F)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H34FN3O5S2/c1-20(2)34-30(36)35(25-10-12-26(13-11-25)41(5,37)38)19-23-16-21(9-14-28(23)32)27-18-24(31(3,4)42(6,39)40)17-22-8-7-15-33-29(22)27/h7-18,20H,19H2,1-6H3,(H,34,36)
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n/an/a 50n/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))
BDBM50183798
PNG
(1-((2-fluoro-5-(6-(2-(methylsulfonyl)propan-2-yl)q...)
Show SMILES CC(C)NC(=O)N(Cc1cc(ccc1F)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H34FN3O5S2/c1-20(2)34-30(36)35(25-10-12-26(13-11-25)41(5,37)38)19-23-16-21(9-14-28(23)32)27-18-24(31(3,4)42(6,39)40)17-22-8-7-15-33-29(22)27/h7-18,20H,19H2,1-6H3,(H,34,36)
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PubMed
n/an/a 0.800n/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))
BDBM50183798
PNG
(1-((2-fluoro-5-(6-(2-(methylsulfonyl)propan-2-yl)q...)
Show SMILES CC(C)NC(=O)N(Cc1cc(ccc1F)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H34FN3O5S2/c1-20(2)34-30(36)35(25-10-12-26(13-11-25)41(5,37)38)19-23-16-21(9-14-28(23)32)27-18-24(31(3,4)42(6,39)40)17-22-8-7-15-33-29(22)27/h7-18,20H,19H2,1-6H3,(H,34,36)
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.300n/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 4C


(Homo sapiens (Human))
BDBM50183798
PNG
(1-((2-fluoro-5-(6-(2-(methylsulfonyl)propan-2-yl)q...)
Show SMILES CC(C)NC(=O)N(Cc1cc(ccc1F)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H34FN3O5S2/c1-20(2)34-30(36)35(25-10-12-26(13-11-25)41(5,37)38)19-23-16-21(9-14-28(23)32)27-18-24(31(3,4)42(6,39)40)17-22-8-7-15-33-29(22)27/h7-18,20H,19H2,1-6H3,(H,34,36)
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n/an/a 6.40n/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