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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4A' and Ligand = 'BDBM50174022'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50174022
PNG
((E)-8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(...)
Show SMILES Cc1noc(n1)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+
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n/an/a 1n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50174022
PNG
((E)-8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(...)
Show SMILES Cc1noc(n1)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+
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PubMed
n/an/a 1.40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50174022
PNG
((E)-8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(...)
Show SMILES Cc1noc(n1)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+
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PubMed
n/an/a 1.40n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50174022
PNG
((E)-8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(...)
Show SMILES Cc1noc(n1)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair