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Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'abrams' and Initial = 'k'   
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
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/a 1n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAF mediated human eosinophil chemotaxis


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))
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/a 1n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C5a mediated human eosinophil chemotaxis


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))
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/a<1n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


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))
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/a 2n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of release of LTE4 in human whole blood


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))
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/a 3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Eotaxin mediated by human eosinophil chemotaxis


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))
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/a 4n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(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 11n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


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))
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 33n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


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)
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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n/an/a 34n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50176521
PNG
(5-methyl-6-oxo-6,7-dihydro-5H-furo[2,3-f]indole-7-...)
Show SMILES CN1C(=O)C(C(=O)Nc2nncs2)c2cc3occc3cc12
Show InChI InChI=1S/C14H10N4O3S/c1-18-9-4-7-2-3-21-10(7)5-8(9)11(13(18)20)12(19)16-14-17-15-6-22-14/h2-6,11H,1H3,(H,16,17,19)
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n/an/a 40n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE2 by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
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/a 41n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of release of LTE4 in human whole blood


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)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(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/a 107n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(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/a 185n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


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
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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n/an/a 625n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of release of TNF alpha in human whole blood


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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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n/an/a 635n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE2 by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(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/a 925n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of release of TNF alpha in human whole blood


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
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens)
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/a 1.38E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4C


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/a 3.00E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAF mediated human eosinophil chemotaxis


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)
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens)
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 3.41E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4C


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))
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 6.50E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LTB4 mediated human eosinophil chemotaxis


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 11A (PDE11A)


(Homo sapiens (Human))
BDBM50176521
PNG
(5-methyl-6-oxo-6,7-dihydro-5H-furo[2,3-f]indole-7-...)
Show SMILES CN1C(=O)C(C(=O)Nc2nncs2)c2cc3occc3cc12
Show InChI InChI=1S/C14H10N4O3S/c1-18-9-4-7-2-3-21-10(7)5-8(9)11(13(18)20)12(19)16-14-17-15-6-22-14/h2-6,11H,1H3,(H,16,17,19)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE11 by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
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/a 1.30E+4n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of release of LTE4 in human whole blood


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 8


(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/a>1.60E+4n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8A


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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(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/a>1.60E+4n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2


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 9A


(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>1.60E+4n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE9


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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(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>1.60E+4n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2


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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(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>1.60E+4n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE10


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 8


(Homo sapiens)
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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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


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 8


(Homo sapiens (human))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE8A by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
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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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


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 3


(Homo sapiens (human))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE3 by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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n/an/a>1.60E+4n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE11 by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50176521
PNG
(5-methyl-6-oxo-6,7-dihydro-5H-furo[2,3-f]indole-7-...)
Show SMILES CN1C(=O)C(C(=O)Nc2nncs2)c2cc3occc3cc12
Show InChI InChI=1S/C14H10N4O3S/c1-18-9-4-7-2-3-21-10(7)5-8(9)11(13(18)20)12(19)16-14-17-15-6-22-14/h2-6,11H,1H3,(H,16,17,19)
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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (human))
BDBM50176521
PNG
(5-methyl-6-oxo-6,7-dihydro-5H-furo[2,3-f]indole-7-...)
Show SMILES CN1C(=O)C(C(=O)Nc2nncs2)c2cc3occc3cc12
Show InChI InChI=1S/C14H10N4O3S/c1-18-9-4-7-2-3-21-10(7)5-8(9)11(13(18)20)12(19)16-14-17-15-6-22-14/h2-6,11H,1H3,(H,16,17,19)
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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE3 by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50176521
PNG
(5-methyl-6-oxo-6,7-dihydro-5H-furo[2,3-f]indole-7-...)
Show SMILES CN1C(=O)C(C(=O)Nc2nncs2)c2cc3occc3cc12
Show InChI InChI=1S/C14H10N4O3S/c1-18-9-4-7-2-3-21-10(7)5-8(9)11(13(18)20)12(19)16-14-17-15-6-22-14/h2-6,11H,1H3,(H,16,17,19)
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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE1 by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE5 by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE1 by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(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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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE11


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
cGMP-specific 3',5'-cyclic phosphodiesterase


(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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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


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 3


(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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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE3


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 3


(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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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE3


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
cGMP-specific 3',5'-cyclic phosphodiesterase


(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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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(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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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE10


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 8


(Homo sapiens)
BDBM50176521
PNG
(5-methyl-6-oxo-6,7-dihydro-5H-furo[2,3-f]indole-7-...)
Show SMILES CN1C(=O)C(C(=O)Nc2nncs2)c2cc3occc3cc12
Show InChI InChI=1S/C14H10N4O3S/c1-18-9-4-7-2-3-21-10(7)5-8(9)11(13(18)20)12(19)16-14-17-15-6-22-14/h2-6,11H,1H3,(H,16,17,19)
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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE8B by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE9 by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(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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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE9


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 8


(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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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8A


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))
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50176521
PNG
(5-methyl-6-oxo-6,7-dihydro-5H-furo[2,3-f]indole-7-...)
Show SMILES CN1C(=O)C(C(=O)Nc2nncs2)c2cc3occc3cc12
Show InChI InChI=1S/C14H10N4O3S/c1-18-9-4-7-2-3-21-10(7)5-8(9)11(13(18)20)12(19)16-14-17-15-6-22-14/h2-6,11H,1H3,(H,16,17,19)
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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE10 by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens)
BDBM28393
PNG
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
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Pfizer, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4C by scintillation proximity assay


Bioorg Med Chem Lett 16: 307-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.005
BindingDB Entry DOI: 10.7270/Q2XD118H
More data for this
Ligand-Target Pair
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