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Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'ricciarelli' and Initial = 'r'   
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 4D


(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/a 90n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4D3 expressed in baculoviral system


J Med Chem 57: 7061-72 (2014)


Article DOI: 10.1021/jm500855w
BindingDB Entry DOI: 10.7270/Q23N251C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50097485
PNG
(CHEMBL3585872)
Show SMILES CC1CN(CC(C)O1)NCC(O)CO\N=C\c1ccc(OC(F)F)c(OC2CCCC2)c1
Show InChI InChI=1/C22H33F2N3O5/c1-15-12-27(13-16(2)30-15)25-11-18(28)14-29-26-10-17-7-8-20(32-22(23)24)21(9-17)31-19-5-3-4-6-19/h7-10,15-16,18-19,22,25,28H,3-6,11-14H2,1-2H3/b26-10+
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n/an/a 190n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay


Bioorg Med Chem 23: 3426-35 (2015)


Article DOI: 10.1016/j.bmc.2015.04.027
BindingDB Entry DOI: 10.7270/Q2NC62ZZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50097489
PNG
(CHEMBL3585870)
Show SMILES CC1CN(CC(O)CO\N=C\c2ccc(OC(F)F)c(OC3CCCC3)c2)CC(C)O1
Show InChI InChI=1/C22H32F2N2O5/c1-15-11-26(12-16(2)29-15)13-18(27)14-28-25-10-17-7-8-20(31-22(23)24)21(9-17)30-19-5-3-4-6-19/h7-10,15-16,18-19,22,27H,3-6,11-14H2,1-2H3/b25-10+
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n/an/a 190n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay


Bioorg Med Chem 23: 3426-35 (2015)


Article DOI: 10.1016/j.bmc.2015.04.027
BindingDB Entry DOI: 10.7270/Q2NC62ZZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50057795
PNG
(CHEMBL3326090)
Show SMILES COc1ccc(\C=N\OCC(O)CNN2CC(C)OC(C)C2)cc1OC1CCCC1
Show InChI InChI=1/C22H35N3O5/c1-16-13-25(14-17(2)29-16)23-12-19(26)15-28-24-11-18-8-9-21(27-3)22(10-18)30-20-6-4-5-7-20/h8-11,16-17,19-20,23,26H,4-7,12-15H2,1-3H3/b24-11+
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n/an/a 210n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4D3 expressed in baculoviral system


J Med Chem 57: 7061-72 (2014)


Article DOI: 10.1021/jm500855w
BindingDB Entry DOI: 10.7270/Q23N251C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50097491
PNG
(CHEMBL3585876)
Show SMILES CC1CN(CC(C)O1)C(=O)CCO\N=C\c1ccc(OC(F)F)c(OC2CCCC2)c1
Show InChI InChI=1/C22H30F2N2O5/c1-15-13-26(14-16(2)29-15)21(27)9-10-28-25-12-17-7-8-19(31-22(23)24)20(11-17)30-18-5-3-4-6-18/h7-8,11-12,15-16,18,22H,3-6,9-10,13-14H2,1-2H3/b25-12+
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n/an/a 470n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay


Bioorg Med Chem 23: 3426-35 (2015)


Article DOI: 10.1016/j.bmc.2015.04.027
BindingDB Entry DOI: 10.7270/Q2NC62ZZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50057791
PNG
(CHEMBL3326083)
Show SMILES COc1ccc(\C=N\N2CCOCC2)cc1OC1CCCC1
Show InChI InChI=1S/C17H24N2O3/c1-20-16-7-6-14(13-18-19-8-10-21-11-9-19)12-17(16)22-15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3/b18-13+
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n/an/a 660n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4D3 expressed in baculoviral system


J Med Chem 57: 7061-72 (2014)


Article DOI: 10.1021/jm500855w
BindingDB Entry DOI: 10.7270/Q23N251C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50097486
PNG
(CHEMBL3585873)
Show SMILES FC(F)Oc1ccc(\C=N\OCC(=O)N2CCOCC2)cc1OC1CCCC1
Show InChI InChI=1S/C19H24F2N2O5/c20-19(21)28-16-6-5-14(11-17(16)27-15-3-1-2-4-15)12-22-26-13-18(24)23-7-9-25-10-8-23/h5-6,11-12,15,19H,1-4,7-10,13H2/b22-12+
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n/an/a 1.12E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay


Bioorg Med Chem 23: 3426-35 (2015)


Article DOI: 10.1016/j.bmc.2015.04.027
BindingDB Entry DOI: 10.7270/Q2NC62ZZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50057794
PNG
(CHEMBL3326089)
Show SMILES COc1ccc(\C=N\OCC(O)CNN2CCOCC2)cc1OC1CCCC1
Show InChI InChI=1/C20H31N3O5/c1-25-19-7-6-16(12-20(19)28-18-4-2-3-5-18)13-22-27-15-17(24)14-21-23-8-10-26-11-9-23/h6-7,12-13,17-18,21,24H,2-5,8-11,14-15H2,1H3/b22-13+
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n/an/a 1.26E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4D3 expressed in baculoviral system


J Med Chem 57: 7061-72 (2014)


Article DOI: 10.1021/jm500855w
BindingDB Entry DOI: 10.7270/Q23N251C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50097488
PNG
(CHEMBL3585869)
Show SMILES OC(CO\N=C\c1ccc(OC(F)F)c(OC2CCCC2)c1)CN1CCOCC1
Show InChI InChI=1/C20H28F2N2O5/c21-20(22)29-18-6-5-15(11-19(18)28-17-3-1-2-4-17)12-23-27-14-16(25)13-24-7-9-26-10-8-24/h5-6,11-12,16-17,20,25H,1-4,7-10,13-14H2/b23-12+
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n/an/a 1.49E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay


Bioorg Med Chem 23: 3426-35 (2015)


Article DOI: 10.1016/j.bmc.2015.04.027
BindingDB Entry DOI: 10.7270/Q2NC62ZZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50057792
PNG
(CHEMBL3326084)
Show SMILES COc1ccc(\C=N\N2CC(C)OC(C)C2)cc1OC1CCCC1
Show InChI InChI=1/C19H28N2O3/c1-14-12-21(13-15(2)23-14)20-11-16-8-9-18(22-3)19(10-16)24-17-6-4-5-7-17/h8-11,14-15,17H,4-7,12-13H2,1-3H3/b20-11+
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n/an/a 1.55E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4D3 expressed in baculoviral system


J Med Chem 57: 7061-72 (2014)


Article DOI: 10.1021/jm500855w
BindingDB Entry DOI: 10.7270/Q23N251C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50057791
PNG
(CHEMBL3326083)
Show SMILES COc1ccc(\C=N\N2CCOCC2)cc1OC1CCCC1
Show InChI InChI=1S/C17H24N2O3/c1-20-16-7-6-14(13-18-19-8-10-21-11-9-19)12-17(16)22-15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3/b18-13+
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of PDE4B2 (unknown origin)


J Med Chem 57: 7061-72 (2014)


Article DOI: 10.1021/jm500855w
BindingDB Entry DOI: 10.7270/Q23N251C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50057793
PNG
(CHEMBL3326087)
Show SMILES COc1ccc(\C=N\OCC(O)CN2CCC(O)CC2)cc1OC1CCCC1
Show InChI InChI=1/C21H32N2O5/c1-26-20-7-6-16(12-21(20)28-19-4-2-3-5-19)13-22-27-15-18(25)14-23-10-8-17(24)9-11-23/h6-7,12-13,17-19,24-25H,2-5,8-11,14-15H2,1H3/b22-13+
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n/an/a 1.79E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4D3 expressed in baculoviral system


J Med Chem 57: 7061-72 (2014)


Article DOI: 10.1021/jm500855w
BindingDB Entry DOI: 10.7270/Q23N251C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50299569
PNG
(3-(cyclopentyloxy)-4-methoxybenzaldehyde O-[2-(2,6...)
Show SMILES COc1ccc(\C=N\OCC(=O)N2CC(C)OC(C)C2)cc1OC1CCCC1
Show InChI InChI=1S/C21H30N2O5/c1-15-12-23(13-16(2)27-15)21(24)14-26-22-11-17-8-9-19(25-3)20(10-17)28-18-6-4-5-7-18/h8-11,15-16,18H,4-7,12-14H2,1-3H3/b22-11+
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n/an/a 1.91E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4D3 expressed in baculoviral system


J Med Chem 57: 7061-72 (2014)


Article DOI: 10.1021/jm500855w
BindingDB Entry DOI: 10.7270/Q23N251C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50097484
PNG
(CHEMBL3585871)
Show SMILES OC(CO\N=C\c1ccc(OC(F)F)c(OC2CCCC2)c1)CN1CCC(O)CC1
Show InChI InChI=1/C21H30F2N2O5/c22-21(23)30-19-6-5-15(11-20(19)29-18-3-1-2-4-18)12-24-28-14-17(27)13-25-9-7-16(26)8-10-25/h5-6,11-12,16-18,21,26-27H,1-4,7-10,13-14H2/b24-12+
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n/an/a 2.54E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay


Bioorg Med Chem 23: 3426-35 (2015)


Article DOI: 10.1016/j.bmc.2015.04.027
BindingDB Entry DOI: 10.7270/Q2NC62ZZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50097490
PNG
(CHEMBL3585875)
Show SMILES OC1CCN(CC1)C(=O)CO\N=C\c1ccc(OC(F)F)c(OC2CCCC2)c1
Show InChI InChI=1S/C20H26F2N2O5/c21-20(22)29-17-6-5-14(11-18(17)28-16-3-1-2-4-16)12-23-27-13-19(26)24-9-7-15(25)8-10-24/h5-6,11-12,15-16,20,25H,1-4,7-10,13H2/b23-12+
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n/an/a 2.63E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay


Bioorg Med Chem 23: 3426-35 (2015)


Article DOI: 10.1016/j.bmc.2015.04.027
BindingDB Entry DOI: 10.7270/Q2NC62ZZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50299568
PNG
(3-(Cyclopentyloxy)-4-methoxybenzaldehyde O-[3-(2,6...)
Show SMILES COc1ccc(\C=N\OCC(O)CN2CC(C)OC(C)C2)cc1OC1CCCC1
Show InChI InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+
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n/an/a 3.46E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4D3 expressed in baculoviral system


J Med Chem 57: 7061-72 (2014)


Article DOI: 10.1021/jm500855w
BindingDB Entry DOI: 10.7270/Q23N251C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50097487
PNG
(CHEMBL3585874)
Show SMILES CC1CN(CC(C)O1)C(=O)CO\N=C\c1ccc(OC(F)F)c(OC2CCCC2)c1
Show InChI InChI=1/C21H28F2N2O5/c1-14-11-25(12-15(2)28-14)20(26)13-27-24-10-16-7-8-18(30-21(22)23)19(9-16)29-17-5-3-4-6-17/h7-10,14-15,17,21H,3-6,11-13H2,1-2H3/b24-10+
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n/an/a 4.84E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay


Bioorg Med Chem 23: 3426-35 (2015)


Article DOI: 10.1016/j.bmc.2015.04.027
BindingDB Entry DOI: 10.7270/Q2NC62ZZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50057795
PNG
(CHEMBL3326090)
Show SMILES COc1ccc(\C=N\OCC(O)CNN2CC(C)OC(C)C2)cc1OC1CCCC1
Show InChI InChI=1/C22H35N3O5/c1-16-13-25(14-17(2)29-16)23-12-19(26)15-28-24-11-18-8-9-21(27-3)22(10-18)30-20-6-4-5-7-20/h8-11,16-17,19-20,23,26H,4-7,12-15H2,1-3H3/b24-11+
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of PDE4B2 (unknown origin)


J Med Chem 57: 7061-72 (2014)


Article DOI: 10.1021/jm500855w
BindingDB Entry DOI: 10.7270/Q23N251C
More data for this
Ligand-Target Pair