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Compile Data Set for Download or QSAR

Found 4 hits of ec50 data for polymerid = 6551   
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
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50176377
PNG
((R)-2-(4-fluorophenoxy)-N-(1-(thiophen-2-yl)ethyl)...)
Show SMILES C[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1)c1cccs1
Show InChI InChI=1S/C18H15FN2O2S/c1-12(16-5-3-11-24-16)21-17(22)15-4-2-10-20-18(15)23-14-8-6-13(19)7-9-14/h2-12H,1H3,(H,21,22)/t12-/m1/s1
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n/an/an/an/a 22n/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
cAMP elevation in U937 cells


Bioorg Med Chem Lett 16: 718-21 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.026
BindingDB Entry DOI: 10.7270/Q2348JXP
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(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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n/an/an/an/a 1.10E+3n/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
cAMP elevation in U937 cells


Bioorg Med Chem Lett 16: 718-21 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.026
BindingDB Entry DOI: 10.7270/Q2348JXP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50310217
PNG
(7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...)
Show SMILES [O-][n+]1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1
Show InChI InChI=1S/C22H18F2N4O3/c23-22(24)31-19-6-5-15(10-20(19)30-13-14-3-4-14)18-7-8-25-21-11-17(26-28(18)21)16-2-1-9-27(29)12-16/h1-2,5-12,14,22H,3-4,13H2
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n/an/an/an/a 1.61E+3n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D in U937 cells assessed as cAMP accumulation


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50310204
PNG
(7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccnc1
Show InChI InChI=1S/C22H18F2N4O2/c23-22(24)30-19-6-5-15(10-20(19)29-13-14-3-4-14)18-7-9-26-21-11-17(27-28(18)21)16-2-1-8-25-12-16/h1-2,5-12,14,22H,3-4,13H2
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n/an/an/an/a 6.69E+4n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D in U937 cells assessed as cAMP accumulation


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair