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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50005387   
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 4B


(Homo sapiens (Human))
BDBM50491648
PNG
(CHEMBL2387142)
Show SMILES CC(C)c1nccn1-c1ccc(cc1)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:16|
Show InChI InChI=1S/C24H30N6O2/c1-15(2)22-25-10-11-29(22)17-8-6-16(7-9-17)18-14-26-23(32)20-19(27-18)21(24(3,4)5)28-30(20)12-13-31/h6-11,15,31H,12-14H2,1-5H3,(H,26,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)


Bioorg Med Chem Lett 23: 3438-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.072
BindingDB Entry DOI: 10.7270/Q2MP5665
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491643
PNG
(CHEMBL2387140)
Show SMILES CCC(C)(C)c1nn(CCO)c2c1N=C(CNC2=O)c1ccc(cc1)-n1ccnc1C |c:14|
Show InChI InChI=1S/C23H28N6O2/c1-5-23(3,4)21-19-20(29(27-21)12-13-30)22(31)25-14-18(26-19)16-6-8-17(9-7-16)28-11-10-24-15(28)2/h6-11,30H,5,12-14H2,1-4H3,(H,25,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 378n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)


Bioorg Med Chem Lett 23: 3438-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.072
BindingDB Entry DOI: 10.7270/Q2MP5665
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491646
PNG
(CHEMBL2387021)
Show SMILES CCC(CC)c1nn(CCO)c2c1N=C(CNC2=O)c1ccc(cc1)-n1ccnc1C |c:14|
Show InChI InChI=1S/C23H28N6O2/c1-4-16(5-2)20-21-22(29(27-20)12-13-30)23(31)25-14-19(26-21)17-6-8-18(9-7-17)28-11-10-24-15(28)3/h6-11,16,30H,4-5,12-14H2,1-3H3,(H,25,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 583n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)


Bioorg Med Chem Lett 23: 3438-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.072
BindingDB Entry DOI: 10.7270/Q2MP5665
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491642
PNG
(CHEMBL2387141)
Show SMILES CCC(C)(C)c1nn(CCO)c2c1N=C(CNC2=O)c1ccc(cc1)-n1cc(C)nc1C |c:14|
Show InChI InChI=1S/C24H30N6O2/c1-6-24(4,5)22-20-21(30(28-22)11-12-31)23(32)25-13-19(27-20)17-7-9-18(10-8-17)29-14-15(2)26-16(29)3/h7-10,14,31H,6,11-13H2,1-5H3,(H,25,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.95E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)


Bioorg Med Chem Lett 23: 3438-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.072
BindingDB Entry DOI: 10.7270/Q2MP5665
More data for this
Ligand-Target Pair