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Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'berlioz-seux' and Initial = 'f'   
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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151638
PNG
(8''-chloro-5''-(5-hydroxy-1,2,4-oxadiazol-3-ylmeth...)
Show SMILES Clc1ccc(OCc2nc(=O)o[nH]2)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C16H17ClN4O4/c17-9-4-5-10(24-8-11-18-15(23)25-21-11)12-13(9)19-14(22)20-16(12)6-2-1-3-7-16/h4-5H,1-3,6-8H2,(H,18,21,23)(H2,19,20,22)
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151635
PNG
(8''-chloro-5''-(1H-1,2,3,4-tetraazol-5-ylmethoxy)s...)
Show SMILES Clc1ccc(OCc2nnn[nH]2)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C15H17ClN6O2/c16-9-4-5-10(24-8-11-19-21-22-20-11)12-13(9)17-14(23)18-15(12)6-2-1-3-7-15/h4-5H,1-3,6-8H2,(H2,17,18,23)(H,19,20,21,22)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151644
PNG
(CHEMBL359890 | ethyl 5-[8''-chloro-2''-oxospiro[cy...)
Show SMILES CCOC(=O)c1ccc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)o1
Show InChI InChI=1S/C21H23ClN2O5/c1-2-27-19(25)16-8-6-13(29-16)12-28-15-9-7-14(22)18-17(15)21(24-20(26)23-18)10-4-3-5-11-21/h6-9H,2-5,10-12H2,1H3,(H2,23,24,26)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151640
PNG
(8''-chloro-5''-methoxyspiro[cyclohexane-1,4''-(1''...)
Show SMILES COc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C14H17ClN2O2/c1-19-10-6-5-9(15)12-11(10)14(17-13(18)16-12)7-3-2-4-8-14/h5-6H,2-4,7-8H2,1H3,(H2,16,17,18)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151609
PNG
(5'',8''-dichlorospiro[cyclohexane-1,4''-(1'',2'',3...)
Show SMILES Clc1ccc(Cl)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C13H14Cl2N2O/c14-8-4-5-9(15)11-10(8)13(17-12(18)16-11)6-2-1-3-7-13/h4-5H,1-3,6-7H2,(H2,16,17,18)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151649
PNG
(8''-chloro-5''-hydroxyspiro[cyclohexane-1,4''-(1''...)
Show SMILES Oc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C13H15ClN2O2/c14-8-4-5-9(17)10-11(8)15-12(18)16-13(10)6-2-1-3-7-13/h4-5,17H,1-3,6-7H2,(H2,15,16,18)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151636
PNG
(3-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES OS(=O)(=O)CCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C16H21ClN2O5S/c17-11-5-6-12(24-9-4-10-25(21,22)23)13-14(11)18-15(20)19-16(13)7-2-1-3-8-16/h5-6H,1-4,7-10H2,(H2,18,19,20)(H,21,22,23)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151634
PNG
(5-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES OC(=O)c1ccc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)o1
Show InChI InChI=1S/C19H19ClN2O5/c20-12-5-7-13(26-10-11-4-6-14(27-11)17(23)24)15-16(12)21-18(25)22-19(15)8-2-1-3-9-19/h4-7H,1-3,8-10H2,(H,23,24)(H2,21,22,25)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151631
PNG
(2-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES Clc1ccc(OCC#N)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C15H16ClN3O2/c16-10-4-5-11(21-9-8-17)12-13(10)18-14(20)19-15(12)6-2-1-3-7-15/h4-5H,1-3,6-7,9H2,(H2,18,19,20)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151645
PNG
(8''-chloro-5''-[2-(1,4-oxazinan-4-yl)ethoxy]spiro[...)
Show SMILES Clc1ccc(OCCN2CCOCC2)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C19H26ClN3O3/c20-14-4-5-15(26-13-10-23-8-11-25-12-9-23)16-17(14)21-18(24)22-19(16)6-2-1-3-7-19/h4-5H,1-3,6-13H2,(H2,21,22,24)
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n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151630
PNG
(2-{2-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1...)
Show SMILES OC(=O)CNCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C17H22ClN3O4/c18-11-4-5-12(25-9-8-19-10-13(22)23)14-15(11)20-16(24)21-17(14)6-2-1-3-7-17/h4-5,19H,1-3,6-10H2,(H,22,23)(H2,20,21,24)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151641
PNG
(2-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES OC(=O)COc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C15H17ClN2O4/c16-9-4-5-10(22-8-11(19)20)12-13(9)17-14(21)18-15(12)6-2-1-3-7-15/h4-5H,1-3,6-8H2,(H,19,20)(H2,17,18,21)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151647
PNG
(8''-chloro-5''-(2-hydroxyethoxy)spiro[cyclohexane-...)
Show SMILES OCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C15H19ClN2O3/c16-10-4-5-11(21-9-8-19)12-13(10)17-14(20)18-15(12)6-2-1-3-7-15/h4-5,19H,1-3,6-9H2,(H2,17,18,20)
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n/an/a 50n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151646
PNG
(8''-chloro-5''-methylspiro[cyclohexane-1,4''-(1'',...)
Show SMILES Cc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C14H17ClN2O/c1-9-5-6-10(15)12-11(9)14(17-13(18)16-12)7-3-2-4-8-14/h5-6H,2-4,7-8H2,1H3,(H2,16,17,18)
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151648
PNG
(8''-chloro-5''-(2-dimethylaminoethoxy)spiro[cycloh...)
Show SMILES CN(C)CCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C17H24ClN3O2/c1-21(2)10-11-23-13-7-6-12(18)15-14(13)17(20-16(22)19-15)8-4-3-5-9-17/h6-7H,3-5,8-11H2,1-2H3,(H2,19,20,22)
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n/an/a 150n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151628
PNG
(8''-chlorospiro[cyclohexane-1,4''-(1'',2'',3'',4''...)
Show SMILES Clc1cccc2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C13H15ClN2O/c14-10-6-4-5-9-11(10)15-12(17)16-13(9)7-2-1-3-8-13/h4-6H,1-3,7-8H2,(H2,15,16,17)
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n/an/a 170n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151633
PNG
(8''-chloro-5''-(2-hydroxy-3-methylaminopropoxy)spi...)
Show SMILES CNCC(O)COc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C17H24ClN3O3/c1-19-9-11(22)10-24-13-6-5-12(18)15-14(13)17(21-16(23)20-15)7-3-2-4-8-17/h5-6,11,19,22H,2-4,7-10H2,1H3,(H2,20,21,23)
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n/an/a 210n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50151635
PNG
(8''-chloro-5''-(1H-1,2,3,4-tetraazol-5-ylmethoxy)s...)
Show SMILES Clc1ccc(OCc2nnn[nH]2)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C15H17ClN6O2/c16-9-4-5-10(24-8-11-19-21-22-20-11)12-13(9)17-14(23)18-15(12)6-2-1-3-7-15/h4-5H,1-3,6-8H2,(H2,17,18,23)(H,19,20,21,22)
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n/an/a 320n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
BDBM50151635
PNG
(8''-chloro-5''-(1H-1,2,3,4-tetraazol-5-ylmethoxy)s...)
Show SMILES Clc1ccc(OCc2nnn[nH]2)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C15H17ClN6O2/c16-9-4-5-10(24-8-11-19-21-22-20-11)12-13(9)17-14(23)18-15(12)6-2-1-3-7-15/h4-5H,1-3,6-8H2,(H2,17,18,23)(H,19,20,21,22)
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n/an/a 320n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151632
PNG
(8''-chloro-5''-(3-dimethylamino-2-hydroxypropoxy)s...)
Show SMILES CN(C)CC(O)COc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C18H26ClN3O3/c1-22(2)10-12(23)11-25-14-7-6-13(19)16-15(14)18(21-17(24)20-16)8-4-3-5-9-18/h6-7,12,23H,3-5,8-11H2,1-2H3,(H2,20,21,24)
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n/an/a 400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
BDBM50151638
PNG
(8''-chloro-5''-(5-hydroxy-1,2,4-oxadiazol-3-ylmeth...)
Show SMILES Clc1ccc(OCc2nc(=O)o[nH]2)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C16H17ClN4O4/c17-9-4-5-10(24-8-11-18-15(23)25-21-11)12-13(9)19-14(22)20-16(12)6-2-1-3-7-16/h4-5H,1-3,6-8H2,(H,18,21,23)(H2,19,20,22)
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n/an/a 610n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE1 partially purified from THP-1 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
BDBM50151636
PNG
(3-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES OS(=O)(=O)CCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C16H21ClN2O5S/c17-11-5-6-12(24-9-4-10-25(21,22)23)13-14(11)18-15(20)19-16(13)7-2-1-3-8-16/h5-6H,1-4,7-10H2,(H2,18,19,20)(H,21,22,23)
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n/an/a 650n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE1 partially purified from THP-1 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50151638
PNG
(8''-chloro-5''-(5-hydroxy-1,2,4-oxadiazol-3-ylmeth...)
Show SMILES Clc1ccc(OCc2nc(=O)o[nH]2)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C16H17ClN4O4/c17-9-4-5-10(24-8-11-18-15(23)25-21-11)12-13(9)19-14(22)20-16(12)6-2-1-3-7-16/h4-5H,1-3,6-8H2,(H,18,21,23)(H2,19,20,22)
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n/an/a 820n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151642
PNG
(8''-chloro-5''-(2-methylaminoethoxy)spiro[cyclohex...)
Show SMILES CNCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C16H22ClN3O2/c1-18-9-10-22-12-6-5-11(17)14-13(12)16(20-15(21)19-14)7-3-2-4-8-16/h5-6,18H,2-4,7-10H2,1H3,(H2,19,20,21)
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n/an/a 960n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50151644
PNG
(CHEMBL359890 | ethyl 5-[8''-chloro-2''-oxospiro[cy...)
Show SMILES CCOC(=O)c1ccc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)o1
Show InChI InChI=1S/C21H23ClN2O5/c1-2-27-19(25)16-8-6-13(29-16)12-28-15-9-7-14(22)18-17(15)21(24-20(26)23-18)10-4-3-5-11-21/h6-9H,2-5,10-12H2,1H3,(H2,23,24,26)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151639
PNG
(5''-(2-aminoethoxy)-8''-chlorospiro[cyclohexane-1,...)
Show SMILES NCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C15H20ClN3O2/c16-10-4-5-11(21-9-8-17)12-13(10)18-14(20)19-15(12)6-2-1-3-7-15/h4-5H,1-3,6-9,17H2,(H2,18,19,20)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50151634
PNG
(5-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES OC(=O)c1ccc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)o1
Show InChI InChI=1S/C19H19ClN2O5/c20-12-5-7-13(26-10-11-4-6-14(27-11)17(23)24)15-16(12)21-18(25)22-19(15)8-2-1-3-9-19/h4-7H,1-3,8-10H2,(H,23,24)(H2,21,22,25)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151637
PNG
(8''-chloro-5''-(3-dimethylaminopropoxy)spiro[cyclo...)
Show SMILES CN(C)CCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C18H26ClN3O2/c1-22(2)11-6-12-24-14-8-7-13(19)16-15(14)18(21-17(23)20-16)9-4-3-5-10-18/h7-8H,3-6,9-12H2,1-2H3,(H2,20,21,23)
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n/an/a 1.24E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
BDBM50151634
PNG
(5-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES OC(=O)c1ccc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)o1
Show InChI InChI=1S/C19H19ClN2O5/c20-12-5-7-13(26-10-11-4-6-14(27-11)17(23)24)15-16(12)21-18(25)22-19(15)8-2-1-3-9-19/h4-7H,1-3,8-10H2,(H,23,24)(H2,21,22,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE1 partially purified from THP-1 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50151643
PNG
(5''-[2-(2-aminoethoxy)ethoxy]-8''-chlorospiro[cycl...)
Show SMILES NCCOCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C17H24ClN3O3/c18-12-4-5-13(24-11-10-23-9-8-19)14-15(12)20-16(22)21-17(14)6-2-1-3-7-17/h4-5H,1-3,6-11,19H2,(H2,20,21,22)
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n/an/a 1.62E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50151631
PNG
(2-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES Clc1ccc(OCC#N)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C15H16ClN3O2/c16-10-4-5-11(21-9-8-17)12-13(10)18-14(20)19-15(12)6-2-1-3-7-15/h4-5H,1-3,6-7,9H2,(H2,18,19,20)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50151636
PNG
(3-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES OS(=O)(=O)CCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C16H21ClN2O5S/c17-11-5-6-12(24-9-4-10-25(21,22)23)13-14(11)18-15(20)19-16(13)7-2-1-3-8-16/h5-6H,1-4,7-10H2,(H2,18,19,20)(H,21,22,23)
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n/an/a 2.41E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
BDBM50151644
PNG
(CHEMBL359890 | ethyl 5-[8''-chloro-2''-oxospiro[cy...)
Show SMILES CCOC(=O)c1ccc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)o1
Show InChI InChI=1S/C21H23ClN2O5/c1-2-27-19(25)16-8-6-13(29-16)12-28-15-9-7-14(22)18-17(15)21(24-20(26)23-18)10-4-3-5-11-21/h6-9H,2-5,10-12H2,1H3,(H2,23,24,26)
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n/an/a 2.98E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE1 partially purified from THP-1 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50151648
PNG
(8''-chloro-5''-(2-dimethylaminoethoxy)spiro[cycloh...)
Show SMILES CN(C)CCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C17H24ClN3O2/c1-21(2)10-11-23-13-7-6-12(18)15-14(13)17(20-16(22)19-15)8-4-3-5-9-17/h6-7H,3-5,8-11H2,1-2H3,(H2,19,20,22)
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n/an/a 3.28E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
BDBM50151641
PNG
(2-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES OC(=O)COc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C15H17ClN2O4/c16-9-4-5-10(22-8-11(19)20)12-13(9)17-14(21)18-15(12)6-2-1-3-7-15/h4-5H,1-3,6-8H2,(H,19,20)(H2,17,18,21)
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n/an/a 4.76E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE1 partially purified from THP-1 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
BDBM50151631
PNG
(2-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES Clc1ccc(OCC#N)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C15H16ClN3O2/c16-10-4-5-11(21-9-8-17)12-13(10)18-14(20)19-15(12)6-2-1-3-7-15/h4-5H,1-3,6-7,9H2,(H2,18,19,20)
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n/an/a 5.86E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE1 partially purified from THP-1 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50151645
PNG
(8''-chloro-5''-[2-(1,4-oxazinan-4-yl)ethoxy]spiro[...)
Show SMILES Clc1ccc(OCCN2CCOCC2)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C19H26ClN3O3/c20-14-4-5-15(26-13-10-23-8-11-25-12-9-23)16-17(14)21-18(24)22-19(16)6-2-1-3-7-19/h4-5H,1-3,6-13H2,(H2,21,22,24)
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n/an/a 7.35E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50151639
PNG
(5''-(2-aminoethoxy)-8''-chlorospiro[cyclohexane-1,...)
Show SMILES NCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C15H20ClN3O2/c16-10-4-5-11(21-9-8-17)12-13(10)18-14(20)19-15(12)6-2-1-3-7-15/h4-5H,1-3,6-9,17H2,(H2,18,19,20)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
BDBM50151647
PNG
(8''-chloro-5''-(2-hydroxyethoxy)spiro[cyclohexane-...)
Show SMILES OCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C15H19ClN2O3/c16-10-4-5-11(21-9-8-19)12-13(10)17-14(20)18-15(12)6-2-1-3-7-15/h4-5,19H,1-3,6-9H2,(H2,17,18,20)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE1 partially purified from THP-1 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))
BDBM50151634
PNG
(5-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES OC(=O)c1ccc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)o1
Show InChI InChI=1S/C19H19ClN2O5/c20-12-5-7-13(26-10-11-4-6-14(27-11)17(23)24)15-16(12)21-18(25)22-19(15)8-2-1-3-9-19/h4-7H,1-3,8-10H2,(H,23,24)(H2,21,22,25)
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n/an/a 1.08E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))
BDBM50151635
PNG
(8''-chloro-5''-(1H-1,2,3,4-tetraazol-5-ylmethoxy)s...)
Show SMILES Clc1ccc(OCc2nnn[nH]2)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C15H17ClN6O2/c16-9-4-5-10(24-8-11-19-21-22-20-11)12-13(9)17-14(23)18-15(12)6-2-1-3-7-15/h4-5H,1-3,6-8H2,(H2,17,18,23)(H,19,20,21,22)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50151633
PNG
(8''-chloro-5''-(2-hydroxy-3-methylaminopropoxy)spi...)
Show SMILES CNCC(O)COc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C17H24ClN3O3/c1-19-9-11(22)10-24-13-6-5-12(18)15-14(13)17(21-16(23)20-15)7-3-2-4-8-17/h5-6,11,19,22H,2-4,7-10H2,1H3,(H2,20,21,23)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50151647
PNG
(8''-chloro-5''-(2-hydroxyethoxy)spiro[cyclohexane-...)
Show SMILES OCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C15H19ClN2O3/c16-10-4-5-11(21-9-8-19)12-13(10)17-14(20)18-15(12)6-2-1-3-7-15/h4-5,19H,1-3,6-9H2,(H2,17,18,20)
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n/an/a 1.22E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))
BDBM50151636
PNG
(3-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES OS(=O)(=O)CCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C16H21ClN2O5S/c17-11-5-6-12(24-9-4-10-25(21,22)23)13-14(11)18-15(20)19-16(13)7-2-1-3-8-16/h5-6H,1-4,7-10H2,(H2,18,19,20)(H,21,22,23)
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n/an/a 1.27E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50151630
PNG
(2-{2-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1...)
Show SMILES OC(=O)CNCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C17H22ClN3O4/c18-11-4-5-12(25-9-8-19-10-13(22)23)14-15(11)20-16(24)21-17(14)6-2-1-3-7-17/h4-5,19H,1-3,6-10H2,(H,22,23)(H2,20,21,24)
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n/an/a 1.47E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50151641
PNG
(2-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES OC(=O)COc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C15H17ClN2O4/c16-9-4-5-10(22-8-11(19)20)12-13(9)17-14(21)18-15(12)6-2-1-3-7-15/h4-5H,1-3,6-8H2,(H,19,20)(H2,17,18,21)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C


(Homo sapiens (Human))
BDBM50151648
PNG
(8''-chloro-5''-(2-dimethylaminoethoxy)spiro[cycloh...)
Show SMILES CN(C)CCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C17H24ClN3O2/c1-21(2)10-11-23-13-7-6-12(18)15-14(13)17(20-16(22)19-15)8-4-3-5-9-17/h6-7H,3-5,8-11H2,1-2H3,(H2,19,20,22)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE1 partially purified from THP-1 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50061235
PNG
(CHEMBL3393730)
Show SMILES [H][C@]1(C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C)c1ncc([nH]1)-c1ccc(cc1)-c1ccc(s1)-c1cc2[nH]c(nc2s1)[C@]1([H])C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
Show InChI InChI=1S/C42H50N8O6S2/c1-21(2)34(46-41(53)55-7)39(51)49-19-23(5)15-29(49)36-43-18-28(45-36)25-9-11-26(12-10-25)31-13-14-32(57-31)33-17-27-38(58-33)48-37(44-27)30-16-24(6)20-50(30)40(52)35(22(3)4)47-42(54)56-8/h9-14,17-18,21-24,29-30,34-35H,15-16,19-20H2,1-8H3,(H,46,53)(H,47,54)/b28-25-,31-26-,33-32+/t23-,24-,29-,30-,34-,35-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 25: 940-3 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.044
BindingDB Entry DOI: 10.7270/Q2SX6FWC
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))
BDBM50151638
PNG
(8''-chloro-5''-(5-hydroxy-1,2,4-oxadiazol-3-ylmeth...)
Show SMILES Clc1ccc(OCc2nc(=O)o[nH]2)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C16H17ClN4O4/c17-9-4-5-10(24-8-11-18-15(23)25-21-11)12-13(9)19-14(22)20-16(12)6-2-1-3-7-16/h4-5H,1-3,6-8H2,(H,18,21,23)(H2,19,20,22)
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n/an/a 2.19E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50151637
PNG
(8''-chloro-5''-(3-dimethylaminopropoxy)spiro[cyclo...)
Show SMILES CN(C)CCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C18H26ClN3O2/c1-22(2)11-6-12-24-14-8-7-13(19)16-15(14)18(21-17(23)20-16)9-4-3-5-10-18/h7-8H,3-6,9-12H2,1-2H3,(H2,20,21,23)
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n/an/a 2.37E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.010
BindingDB Entry DOI: 10.7270/Q2TT4QDX
More data for this
Ligand-Target Pair
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