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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D' and Ligand = 'BDBM50042056'   
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/4B/4C/4D


(Homo sapiens (Human))
BDBM50042056
PNG
((R)-4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrrolid...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m1/s1
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MCE
MMDB
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Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4)


J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50042056
PNG
((R)-4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrrolid...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of partially-purified PDE 4 from human monocytes


J Med Chem 36: 3274-7 (1993)


Article DOI: 10.1021/jm00074a007
BindingDB Entry DOI: 10.7270/Q24M96RT
More data for this
Ligand-Target Pair