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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'guariento' and Initial = 's'   
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 4B


(Homo sapiens (Human))
BDBM50205604
PNG
(CHEMBL3907401)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(F)cc2)C(=O)CCC1 |t:11|
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n/an/a 170n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
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 4B


(Homo sapiens (Human))
BDBM50205613
PNG
(CHEMBL3934464)
Show SMILES CCCN1N=C(CCCC1=O)c1ccc(OC)c(OC)c1 |c:4|
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n/an/a 260n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50205599
PNG
(CHEMBL3933197)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2cccnc2)C(=O)CCC1 |t:11|
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n/an/a 290n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50205619
PNG
(CHEMBL3965269)
Show SMILES COc1ccc(cc1OC)C1=NN(CC2CCC2)C(=O)CCC1 |t:11|
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n/an/a 320n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50205603
PNG
(CHEMBL3937306)
Show SMILES COc1ccc(cc1OC)C1=NN(CC(C)C)C(=O)CCC1 |t:11|
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n/an/a 340n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
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 4B


(Homo sapiens (Human))
BDBM50205600
PNG
(CHEMBL3897315)
Show SMILES COc1ccc(cc1OC)C1=NN(CC=C)C(=O)CCC1 |t:11|
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n/an/a 1.13E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50205610
PNG
(CHEMBL3926566)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCO)C(=O)CCC1 |t:11|
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n/an/a 1.22E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50205602
PNG
(CHEMBL3919202)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(F)cc2)C(=O)CC(C)(C)C1 |t:11|
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n/an/a 1.22E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50205614
PNG
(CHEMBL3892849)
Show SMILES CCN(CC)CCN1N=C(CCCC1=O)c1ccc(OC)c(OC)c1 |c:8|
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n/an/a 1.22E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
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 4B


(Homo sapiens (Human))
BDBM50205611
PNG
(CHEMBL3969575)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(cc2)S(C)(=O)=O)C(=O)CCC1 |t:11|
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n/an/a 1.29E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14769
PNG
(6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...)
Show SMILES COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)
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n/an/a 1.41E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50205608
PNG
(CHEMBL3898376)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccncc2)C(=O)CCC1 |t:11|
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n/an/a 1.41E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
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 4B


(Homo sapiens (Human))
BDBM50205617
PNG
(CHEMBL3916376)
Show SMILES CCOCCN1N=C(CCCC1=O)c1ccc(OC)c(OC)c1 |c:6|
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n/an/a 2.27E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50205609
PNG
(CHEMBL3938207)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCO)C(=O)CC(C)(C)C1 |t:11|
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n/an/a 2.69E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
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 4B


(Homo sapiens (Human))
BDBM50205618
PNG
(CHEMBL3929714)
Show SMILES COc1ccc(cc1)C(=O)CCCC(O)=O
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n/an/a 3.53E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50205605
PNG
(CHEMBL3932749)
Show SMILES COc1ccc(cc1OC)C1=NNC(=O)CC(C)(C)C1 |t:11|
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n/an/a 3.53E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50205601
PNG
(CHEMBL3892468)
Show SMILES COc1ccc(cc1OC)C1=NNC(=O)CCC1 |t:11|
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n/an/a 4.17E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50205607
PNG
(CHEMBL3925358)
Show SMILES COc1ccc(cc1OC)C1=NN(CC(N)=O)C(=O)CCC1 |t:11|
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n/an/a 7.55E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50205612
PNG
(CHEMBL3910284)
Show SMILES COc1ccc(cc1OC)C1=NN(CC(O)=O)C(=O)CC(C)(C)C1 |t:11|
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n/an/a 1.31E+4n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50205606
PNG
(CHEMBL3945980)
Show SMILES COc1ccc(cc1)C1=NNC(=O)CCC1 |t:9|
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 24-29 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.040
BindingDB Entry DOI: 10.7270/Q21N8333
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50108513
PNG
(CHEMBL3597853)
Show SMILES CSc1cccc(Nc2nc(cs2)-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C16H13ClN2S2/c1-20-14-7-3-6-13(9-14)18-16-19-15(10-21-16)11-4-2-5-12(17)8-11/h2-10H,1H3,(H,18,19)
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n/an/an/an/a 5.30E+4n/an/an/an/a



Istituto Giannina Gaslini

Curated by ChEMBL


Assay Description
Potentiator activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as increase in iodine influx measured after 30...


Eur J Med Chem 99: 14-35 (2015)


BindingDB Entry DOI: 10.7270/Q25M67GT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50108496
PNG
(CHEMBL3597875)
Show SMILES CSc1cccc(Nc2nc(cs2)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C17H14N2O2S2/c1-22-13-4-2-3-12(8-13)18-17-19-14(9-23-17)11-5-6-15-16(7-11)21-10-20-15/h2-9H,10H2,1H3,(H,18,19)
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n/an/an/an/a 7.10E+4n/an/an/an/a



Istituto Giannina Gaslini

Curated by ChEMBL


Assay Description
Potentiator activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as increase in iodine influx measured after 30...


Eur J Med Chem 99: 14-35 (2015)


BindingDB Entry DOI: 10.7270/Q25M67GT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50105911
PNG
(CHEMBL3597886)
Show SMILES CCOC(=O)c1cc(on1)-c1csc(Nc2cccc(SC)c2)n1
Show InChI InChI=1S/C16H15N3O3S2/c1-3-21-15(20)12-8-14(22-19-12)13-9-24-16(18-13)17-10-5-4-6-11(7-10)23-2/h4-9H,3H2,1-2H3,(H,17,18)
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n/an/an/an/a 5.80E+4n/an/an/an/a



Istituto Giannina Gaslini

Curated by ChEMBL


Assay Description
Potentiator activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as increase in iodine influx measured after 30...


Eur J Med Chem 99: 14-35 (2015)


BindingDB Entry DOI: 10.7270/Q25M67GT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50108492
PNG
(CHEMBL3597874)
Show SMILES CSc1cccc(Nc2nc(cs2)-c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C17H13N3O2S2/c1-23-12-4-2-3-11(8-12)18-16-19-14(9-24-16)10-5-6-13-15(7-10)22-17(21)20-13/h2-9H,1H3,(H,18,19)(H,20,21)
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n/an/an/an/a 6.40E+3n/an/an/an/a



Istituto Giannina Gaslini

Curated by ChEMBL


Assay Description
Potentiator activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as increase in iodine influx measured after 30...


Eur J Med Chem 99: 14-35 (2015)


BindingDB Entry DOI: 10.7270/Q25M67GT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50105910
PNG
(CHEMBL3597907)
Show SMILES FC(F)(F)Sc1cccc(Nc2nc(cs2)-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C16H10ClF3N2S2/c17-11-4-1-3-10(7-11)14-9-23-15(22-14)21-12-5-2-6-13(8-12)24-16(18,19)20/h1-9H,(H,21,22)
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n/an/an/an/a 3.20E+4n/an/an/an/a



Istituto Giannina Gaslini

Curated by ChEMBL


Assay Description
Potentiator activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as increase in iodine influx measured after 30...


Eur J Med Chem 99: 14-35 (2015)


BindingDB Entry DOI: 10.7270/Q25M67GT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50108517
PNG
(CHEMBL3597843)
Show SMILES CSc1cccc(Nc2nc(cs2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C16H13FN2S2/c1-20-14-4-2-3-13(9-14)18-16-19-15(10-21-16)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,18,19)
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n/an/an/an/a 2.70E+4n/an/an/an/a



Istituto Giannina Gaslini

Curated by ChEMBL


Assay Description
Potentiator activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as increase in iodine influx measured after 30...


Eur J Med Chem 99: 14-35 (2015)


BindingDB Entry DOI: 10.7270/Q25M67GT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50108301
PNG
(CHEMBL3597882)
Show SMILES CSc1cccc(Nc2nc(cs2)-c2cccs2)c1
Show InChI InChI=1S/C14H12N2S3/c1-17-11-5-2-4-10(8-11)15-14-16-12(9-19-14)13-6-3-7-18-13/h2-9H,1H3,(H,15,16)
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n/an/an/an/a 8.50E+3n/an/an/an/a



Istituto Giannina Gaslini

Curated by ChEMBL


Assay Description
Corrector activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as iodide influx after 24 hrs by HS-YFP assay


Eur J Med Chem 99: 14-35 (2015)


BindingDB Entry DOI: 10.7270/Q25M67GT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50108350
PNG
(CHEMBL3597884)
Show SMILES CSc1cccc(Nc2nc(cs2)-c2nccs2)c1
Show InChI InChI=1S/C13H11N3S3/c1-17-10-4-2-3-9(7-10)15-13-16-11(8-19-13)12-14-5-6-18-12/h2-8H,1H3,(H,15,16)
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n/an/an/an/a 9.50E+3n/an/an/an/a



Istituto Giannina Gaslini

Curated by ChEMBL


Assay Description
Potentiator activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as increase in iodine influx measured after 30...


Eur J Med Chem 99: 14-35 (2015)


BindingDB Entry DOI: 10.7270/Q25M67GT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50108483
PNG
(CHEMBL3597841)
Show SMILES CSc1cccc(Nc2nc(cs2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C17H13N3S2/c1-21-15-4-2-3-14(9-15)19-17-20-16(11-22-17)13-7-5-12(10-18)6-8-13/h2-9,11H,1H3,(H,19,20)
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n/an/an/an/a 3.40E+4n/an/an/an/a



Istituto Giannina Gaslini

Curated by ChEMBL


Assay Description
Potentiator activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as increase in iodine influx measured after 30...


Eur J Med Chem 99: 14-35 (2015)


BindingDB Entry DOI: 10.7270/Q25M67GT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50105909
PNG
(CHEMBL3597937)
Show SMILES CSc1cccc(Nc2nc(cs2)-c2cc(Cl)cs2)c1
Show InChI InChI=1S/C14H11ClN2S3/c1-18-11-4-2-3-10(6-11)16-14-17-12(8-20-14)13-5-9(15)7-19-13/h2-8H,1H3,(H,16,17)
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n/an/an/an/a 1.50E+4n/an/an/an/a



Istituto Giannina Gaslini

Curated by ChEMBL


Assay Description
Potentiator activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as increase in iodine influx measured after 30...


Eur J Med Chem 99: 14-35 (2015)


BindingDB Entry DOI: 10.7270/Q25M67GT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50108523
PNG
(CHEMBL3597889)
Show SMILES CSc1cccc(Nc2nc(cs2)-c2sc(nc2C)-c2ccccc2)c1
Show InChI InChI=1S/C20H17N3S3/c1-13-18(26-19(21-13)14-7-4-3-5-8-14)17-12-25-20(23-17)22-15-9-6-10-16(11-15)24-2/h3-12H,1-2H3,(H,22,23)
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n/an/an/an/a 5.70E+3n/an/an/an/a



Istituto Giannina Gaslini

Curated by ChEMBL


Assay Description
Corrector activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as iodide influx after 24 hrs by HS-YFP assay


Eur J Med Chem 99: 14-35 (2015)


BindingDB Entry DOI: 10.7270/Q25M67GT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50108513
PNG
(CHEMBL3597853)
Show SMILES CSc1cccc(Nc2nc(cs2)-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C16H13ClN2S2/c1-20-14-7-3-6-13(9-14)18-16-19-15(10-21-16)11-4-2-5-12(17)8-11/h2-10H,1H3,(H,18,19)
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n/an/an/an/a 5.30E+3n/an/an/an/a



Istituto Giannina Gaslini

Curated by ChEMBL


Assay Description
Corrector activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as iodide influx after 24 hrs by HS-YFP assay


Eur J Med Chem 99: 14-35 (2015)


BindingDB Entry DOI: 10.7270/Q25M67GT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50108302
PNG
(CHEMBL3597927)
Show SMILES CSc1cccc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C16H12Cl2N2S2/c1-21-12-4-2-3-11(8-12)19-16-20-15(9-22-16)10-5-6-13(17)14(18)7-10/h2-9H,1H3,(H,19,20)
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n/an/an/an/a 1.40E+4n/an/an/an/a



Istituto Giannina Gaslini

Curated by ChEMBL


Assay Description
Corrector activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as iodide influx after 24 hrs by HS-YFP assay


Eur J Med Chem 99: 14-35 (2015)


BindingDB Entry DOI: 10.7270/Q25M67GT
More data for this
Ligand-Target Pair