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PubMed code 23301853

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=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)
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Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B2


J Nat Prod 76: 382-7 (2013)


Article DOI: 10.1021/np300749w
BindingDB Entry DOI: 10.7270/Q2TX3GQQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50428912
PNG
(Betulinan C | CHEMBL2331809)
Show SMILES COC1=C(C(=O)C=C(C1=O)c1ccccc1)c1ccccc1 |c:6,t:2|
Show InChI InChI=1S/C19H14O3/c1-22-19-17(14-10-6-3-7-11-14)16(20)12-15(18(19)21)13-8-4-2-5-9-13/h2-12H,1H3
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PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B2


J Nat Prod 76: 382-7 (2013)


Article DOI: 10.1021/np300749w
BindingDB Entry DOI: 10.7270/Q2TX3GQQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50428913
PNG
(CHEMBL2331810)
Show SMILES COc1c(O)c(cc(O)c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16O3/c1-22-19-17(14-10-6-3-7-11-14)16(20)12-15(18(19)21)13-8-4-2-5-9-13/h2-12,20-21H,1H3
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PubMed
n/an/a 3.10E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B2


J Nat Prod 76: 382-7 (2013)


Article DOI: 10.1021/np300749w
BindingDB Entry DOI: 10.7270/Q2TX3GQQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50428914
PNG
(BETULINAN A)
Show SMILES COC1=C(C(=O)C(OC)=C(C1=O)c1ccccc1)c1ccccc1 |c:8,t:2|
Show InChI InChI=1S/C20H16O4/c1-23-19-15(13-9-5-3-6-10-13)18(22)20(24-2)16(17(19)21)14-11-7-4-8-12-14/h3-12H,1-2H3
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Article
PubMed
n/an/a 4.40E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B2


J Nat Prod 76: 382-7 (2013)


Article DOI: 10.1021/np300749w
BindingDB Entry DOI: 10.7270/Q2TX3GQQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%