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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50005393   
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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491689
PNG
(CHEMBL2387425)
Show SMILES COc1ccc(cc1-c1cnc(nc1)N1CCCC1)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:22|
Show InChI InChI=1S/C27H33N7O3/c1-27(2,3)24-22-23(34(32-24)11-12-35)25(36)28-16-20(31-22)17-7-8-21(37-4)19(13-17)18-14-29-26(30-15-18)33-9-5-6-10-33/h7-8,13-15,35H,5-6,9-12,16H2,1-4H3,(H,28,36)
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491682
PNG
(CHEMBL2387423)
Show SMILES COc1ccc(cc1-c1cnc(cc1C)N(C)C)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:20|
Show InChI InChI=1S/C27H34N6O3/c1-16-12-22(32(5)6)28-14-19(16)18-13-17(8-9-21(18)36-7)20-15-29-26(35)24-23(30-20)25(27(2,3)4)31-33(24)10-11-34/h8-9,12-14,34H,10-11,15H2,1-7H3,(H,29,35)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491698
PNG
(CHEMBL2387426)
Show SMILES COc1ccc(cc1-c1cnc(nc1)N1CCOCC1)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:23|
Show InChI InChI=1S/C27H33N7O4/c1-27(2,3)24-22-23(34(32-24)7-10-35)25(36)28-16-20(31-22)17-5-6-21(37-4)19(13-17)18-14-29-26(30-15-18)33-8-11-38-12-9-33/h5-6,13-15,35H,7-12,16H2,1-4H3,(H,28,36)
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491681
PNG
(CHEMBL2387427)
Show SMILES COc1ccc(c(OC)n1)-c1cc(ccc1OC)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:20|
Show InChI InChI=1S/C26H31N5O5/c1-26(2,3)23-21-22(31(30-23)11-12-32)24(33)27-14-18(28-21)15-7-9-19(34-4)17(13-15)16-8-10-20(35-5)29-25(16)36-6/h7-10,13,32H,11-12,14H2,1-6H3,(H,27,33)
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491680
PNG
(CHEMBL2387429)
Show SMILES COc1ccc(cc1-c1cnc(nc1)N1CCCCC1)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:23|
Show InChI InChI=1S/C28H35N7O3/c1-28(2,3)25-23-24(35(33-25)12-13-36)26(37)29-17-21(32-23)18-8-9-22(38-4)20(14-18)19-15-30-27(31-16-19)34-10-6-5-7-11-34/h8-9,14-16,36H,5-7,10-13,17H2,1-4H3,(H,29,37)
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491693
PNG
(CHEMBL2387428)
Show SMILES COc1ccc(cc1-c1cnc(nc1)N(C)C)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:19|
Show InChI InChI=1S/C25H31N7O3/c1-25(2,3)22-20-21(32(30-22)9-10-33)23(34)26-14-18(29-20)15-7-8-19(35-6)17(11-15)16-12-27-24(28-13-16)31(4)5/h7-8,11-13,33H,9-10,14H2,1-6H3,(H,26,34)
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491679
PNG
(CHEMBL2387430 | US11419874, Example 3)
Show SMILES COc1ccc(cc1-c1cnc(OC)nc1)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:18|
Show InChI InChI=1S/C24H28N6O4/c1-24(2,3)21-19-20(30(29-21)8-9-31)22(32)25-13-17(28-19)14-6-7-18(33-4)16(10-14)15-11-26-23(34-5)27-12-15/h6-7,10-12,31H,8-9,13H2,1-5H3,(H,25,32)
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491694
PNG
(CHEMBL2385104)
Show SMILES COc1ccc(c(OC)c1)-c1cc(ccc1OC)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:20|
Show InChI InChI=1S/C27H32N4O5/c1-27(2,3)25-23-24(31(30-25)11-12-32)26(33)28-15-20(29-23)16-7-10-21(35-5)19(13-16)18-9-8-17(34-4)14-22(18)36-6/h7-10,13-14,32H,11-12,15H2,1-6H3,(H,28,33)
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n/an/a 3.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491699
PNG
(CHEMBL2387422)
Show SMILES COc1ccc(cc1-c1cnn(C)c1)C1=Nc2c(C(=O)NC1)n(CCO)nc2C(C)(C)C |t:16|
Show InChI InChI=1S/C23H28N6O3/c1-23(2,3)21-19-20(29(27-21)8-9-30)22(31)24-12-17(26-19)14-6-7-18(32-5)16(10-14)15-11-25-28(4)13-15/h6-7,10-11,13,30H,8-9,12H2,1-5H3,(H,24,31)
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n/an/a 6.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491690
PNG
(CHEMBL2387441)
Show SMILES COc1ccc(cc1-c1cnc(OC)nc1OC)C1=Nc2c(nn(CCCO)c2C(=O)NC1)C(C)(C)C |t:20|
Show InChI InChI=1S/C26H32N6O5/c1-26(2,3)22-20-21(32(31-22)10-7-11-33)23(34)27-14-18(29-20)15-8-9-19(35-4)16(12-15)17-13-28-25(37-6)30-24(17)36-5/h8-9,12-13,33H,7,10-11,14H2,1-6H3,(H,27,34)
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491697
PNG
(CHEMBL2387424)
Show SMILES COc1ccc(cc1-c1cnc(OC)nc1OC)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:20|
Show InChI InChI=1S/C25H30N6O5/c1-25(2,3)21-19-20(31(30-21)9-10-32)22(33)26-13-17(28-19)14-7-8-18(34-4)15(11-14)16-12-27-24(36-6)29-23(16)35-5/h7-8,11-12,32H,9-10,13H2,1-6H3,(H,26,33)
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n/an/a 9.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491692
PNG
(CHEMBL2387436)
Show SMILES COc1ccc(c(OC)c1)-c1cc(ccc1OC)C1=Nc2c(nn(CCCO)c2C(=O)NC1)C(C)(C)C |t:20|
Show InChI InChI=1S/C28H34N4O5/c1-28(2,3)26-24-25(32(31-26)12-7-13-33)27(34)29-16-21(30-24)17-8-11-22(36-5)20(14-17)19-10-9-18(35-4)15-23(19)37-6/h8-11,14-15,33H,7,12-13,16H2,1-6H3,(H,29,34)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491683
PNG
(CHEMBL2387440)
Show SMILES COc1ccc(cc1-c1cnc(cc1C)N(C)C)C1=Nc2c(nn(CCCO)c2C(=O)NC1)C(C)(C)C |t:20|
Show InChI InChI=1S/C28H36N6O3/c1-17-13-23(33(5)6)29-15-20(17)19-14-18(9-10-22(19)37-7)21-16-30-27(36)25-24(31-21)26(28(2,3)4)32-34(25)11-8-12-35/h9-10,13-15,35H,8,11-12,16H2,1-7H3,(H,30,36)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491684
PNG
(CHEMBL2387439)
Show SMILES COc1ccc(cc1-c1cnn(C)c1)C1=Nc2c(C(=O)NC1)n(CCCO)nc2C(C)(C)C |t:16|
Show InChI InChI=1S/C24H30N6O3/c1-24(2,3)22-20-21(30(28-22)9-6-10-31)23(32)25-13-18(27-20)15-7-8-19(33-5)17(11-15)16-12-26-29(4)14-16/h7-8,11-12,14,31H,6,9-10,13H2,1-5H3,(H,25,32)
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n/an/a 36n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491695
PNG
(CHEMBL2387437)
Show SMILES COc1ccc(cc1-c1ccc(cc1)C(O)=O)C1=Nc2c(nn(CCCO)c2C(=O)NC1)C(C)(C)C |t:19|
Show InChI InChI=1S/C27H30N4O5/c1-27(2,3)24-22-23(31(30-24)12-5-13-32)25(33)28-15-20(29-22)18-10-11-21(36-4)19(14-18)16-6-8-17(9-7-16)26(34)35/h6-11,14,32H,5,12-13,15H2,1-4H3,(H,28,33)(H,34,35)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491643
PNG
(CHEMBL2387140)
Show SMILES CCC(C)(C)c1nn(CCO)c2c1N=C(CNC2=O)c1ccc(cc1)-n1ccnc1C |c:14|
Show InChI InChI=1S/C23H28N6O2/c1-5-23(3,4)21-19-20(29(27-21)12-13-30)22(31)25-14-18(26-19)16-6-8-17(9-7-16)28-11-10-24-15(28)2/h6-11,30H,5,12-14H2,1-4H3,(H,25,31)
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n/an/a 45n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491685
PNG
(CHEMBL2387435)
Show SMILES COc1ccc(OC)c(c1)-c1cc(ccc1OC)C1=Nc2c(nn(CCCO)c2C(=O)NC1)C(C)(C)C |t:20|
Show InChI InChI=1S/C28H34N4O5/c1-28(2,3)26-24-25(32(31-26)12-7-13-33)27(34)29-16-21(30-24)17-8-10-22(36-5)19(14-17)20-15-18(35-4)9-11-23(20)37-6/h8-11,14-15,33H,7,12-13,16H2,1-6H3,(H,29,34)
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n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491691
PNG
(CHEMBL2387438)
Show SMILES COc1ccc(cn1)-c1cc(ccc1OC)C1=Nc2c(nn(CCCO)c2C(=O)NC1)C(C)(C)C |t:18|
Show InChI InChI=1S/C26H31N5O4/c1-26(2,3)24-22-23(31(30-24)11-6-12-32)25(33)28-15-19(29-22)16-7-9-20(34-4)18(13-16)17-8-10-21(35-5)27-14-17/h7-10,13-14,32H,6,11-12,15H2,1-5H3,(H,28,33)
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n/an/a 70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491699
PNG
(CHEMBL2387422)
Show SMILES COc1ccc(cc1-c1cnn(C)c1)C1=Nc2c(C(=O)NC1)n(CCO)nc2C(C)(C)C |t:16|
Show InChI InChI=1S/C23H28N6O3/c1-23(2,3)21-19-20(29(27-21)8-9-30)22(31)24-12-17(26-19)14-6-7-18(32-5)16(10-14)15-11-25-28(4)13-15/h6-7,10-11,13,30H,8-9,12H2,1-5H3,(H,24,31)
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491697
PNG
(CHEMBL2387424)
Show SMILES COc1ccc(cc1-c1cnc(OC)nc1OC)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:20|
Show InChI InChI=1S/C25H30N6O5/c1-25(2,3)21-19-20(31(30-21)9-10-32)22(33)26-13-17(28-19)14-7-8-18(34-4)15(11-14)16-12-27-24(36-6)29-23(16)35-5/h7-8,11-12,32H,9-10,13H2,1-6H3,(H,26,33)
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n/an/a 138n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491686
PNG
(CHEMBL2387434)
Show SMILES COc1ccccc1-c1cc(ccc1OC)C1=Nc2c(nn(CCCO)c2C(=O)NC1)C(C)(C)C |t:18|
Show InChI InChI=1S/C27H32N4O4/c1-27(2,3)25-23-24(31(30-25)13-8-14-32)26(33)28-16-20(29-23)17-11-12-22(35-5)19(15-17)18-9-6-7-10-21(18)34-4/h6-7,9-12,15,32H,8,13-14,16H2,1-5H3,(H,28,33)
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n/an/a 156n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491698
PNG
(CHEMBL2387426)
Show SMILES COc1ccc(cc1-c1cnc(nc1)N1CCOCC1)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:23|
Show InChI InChI=1S/C27H33N7O4/c1-27(2,3)24-22-23(34(32-24)7-10-35)25(36)28-16-20(31-22)17-5-6-21(37-4)19(13-17)18-14-29-26(30-15-18)33-8-11-38-12-9-33/h5-6,13-15,35H,7-12,16H2,1-4H3,(H,28,36)
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n/an/a 265n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491680
PNG
(CHEMBL2387429)
Show SMILES COc1ccc(cc1-c1cnc(nc1)N1CCCCC1)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:23|
Show InChI InChI=1S/C28H35N7O3/c1-28(2,3)25-23-24(35(33-25)12-13-36)26(37)29-17-21(32-23)18-8-9-22(38-4)20(14-18)19-15-30-27(31-16-19)34-10-6-5-7-11-34/h8-9,14-16,36H,5-7,10-13,17H2,1-4H3,(H,29,37)
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n/an/a 353n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491643
PNG
(CHEMBL2387140)
Show SMILES CCC(C)(C)c1nn(CCO)c2c1N=C(CNC2=O)c1ccc(cc1)-n1ccnc1C |c:14|
Show InChI InChI=1S/C23H28N6O2/c1-5-23(3,4)21-19-20(29(27-21)12-13-30)22(31)25-14-18(26-19)16-6-8-17(9-7-16)28-11-10-24-15(28)2/h6-11,30H,5,12-14H2,1-4H3,(H,25,31)
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n/an/a 378n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491689
PNG
(CHEMBL2387425)
Show SMILES COc1ccc(cc1-c1cnc(nc1)N1CCCC1)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:22|
Show InChI InChI=1S/C27H33N7O3/c1-27(2,3)24-22-23(34(32-24)11-12-35)25(36)28-16-20(31-22)17-7-8-21(37-4)19(13-17)18-14-29-26(30-15-18)33-9-5-6-10-33/h7-8,13-15,35H,5-6,9-12,16H2,1-4H3,(H,28,36)
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n/an/a 410n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491681
PNG
(CHEMBL2387427)
Show SMILES COc1ccc(c(OC)n1)-c1cc(ccc1OC)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:20|
Show InChI InChI=1S/C26H31N5O5/c1-26(2,3)23-21-22(31(30-23)11-12-32)24(33)27-14-18(28-21)15-7-9-19(34-4)17(13-15)16-8-10-20(35-5)29-25(16)36-6/h7-10,13,32H,11-12,14H2,1-6H3,(H,27,33)
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n/an/a 418n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491687
PNG
(CHEMBL2387432)
Show SMILES COc1ccc(cc1-c1ccc(F)cc1F)C1=Nc2c(C(=O)NC1)n(CCCO)nc2C(C)(C)C |t:18|
Show InChI InChI=1S/C26H28F2N4O3/c1-26(2,3)24-22-23(32(31-24)10-5-11-33)25(34)29-14-20(30-22)15-6-9-21(35-4)18(12-15)17-8-7-16(27)13-19(17)28/h6-9,12-13,33H,5,10-11,14H2,1-4H3,(H,29,34)
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n/an/a 483n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491688
PNG
(CHEMBL2387431)
Show SMILES COc1ccc(cc1-c1ccccc1SC)C1=Nc2c(C(=O)NC1)n(CCCO)nc2C(C)(C)C |t:18|
Show InChI InChI=1S/C27H32N4O3S/c1-27(2,3)25-23-24(31(30-25)13-8-14-32)26(33)28-16-20(29-23)17-11-12-21(34-4)19(15-17)18-9-6-7-10-22(18)35-5/h6-7,9-12,15,32H,8,13-14,16H2,1-5H3,(H,28,33)
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n/an/a 505n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491682
PNG
(CHEMBL2387423)
Show SMILES COc1ccc(cc1-c1cnc(cc1C)N(C)C)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:20|
Show InChI InChI=1S/C27H34N6O3/c1-16-12-22(32(5)6)28-14-19(16)18-13-17(8-9-21(18)36-7)20-15-29-26(35)24-23(30-20)25(27(2,3)4)31-33(24)10-11-34/h8-9,12-14,34H,10-11,15H2,1-7H3,(H,29,35)
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n/an/a 534n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491679
PNG
(CHEMBL2387430 | US11419874, Example 3)
Show SMILES COc1ccc(cc1-c1cnc(OC)nc1)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:18|
Show InChI InChI=1S/C24H28N6O4/c1-24(2,3)21-19-20(30(29-21)8-9-31)22(32)25-13-17(28-19)14-6-7-18(33-4)16(10-14)15-11-26-23(34-5)27-12-15/h6-7,10-12,31H,8-9,13H2,1-5H3,(H,25,32)
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n/an/a 562n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50491696
PNG
(CHEMBL2387433)
Show SMILES COc1ccc(cc1-c1ccccc1F)C1=Nc2c(C(=O)NC1)n(CCCO)nc2C(C)(C)C |t:17|
Show InChI InChI=1S/C26H29FN4O3/c1-26(2,3)24-22-23(31(30-24)12-7-13-32)25(33)28-15-20(29-22)16-10-11-21(34-4)18(14-16)17-8-5-6-9-19(17)27/h5-6,8-11,14,32H,7,12-13,15H2,1-4H3,(H,28,33)
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n/an/a 586n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2 catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491693
PNG
(CHEMBL2387428)
Show SMILES COc1ccc(cc1-c1cnc(nc1)N(C)C)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:19|
Show InChI InChI=1S/C25H31N7O3/c1-25(2,3)22-20-21(32(30-22)9-10-33)23(34)26-14-18(29-20)15-7-8-19(35-6)17(11-15)16-12-27-24(28-13-16)31(4)5/h7-8,11-13,33H,9-10,14H2,1-6H3,(H,26,34)
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n/an/a 695n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491694
PNG
(CHEMBL2385104)
Show SMILES COc1ccc(c(OC)c1)-c1cc(ccc1OC)C1=Nc2c(nn(CCO)c2C(=O)NC1)C(C)(C)C |t:20|
Show InChI InChI=1S/C27H32N4O5/c1-27(2,3)25-23-24(31(30-25)11-12-32)26(33)28-15-20(29-23)16-7-10-21(35-5)19(13-16)18-9-8-17(34-4)14-22(18)36-6/h7-10,13-14,32H,11-12,15H2,1-6H3,(H,28,33)
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n/an/a 741n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491690
PNG
(CHEMBL2387441)
Show SMILES COc1ccc(cc1-c1cnc(OC)nc1OC)C1=Nc2c(nn(CCCO)c2C(=O)NC1)C(C)(C)C |t:20|
Show InChI InChI=1S/C26H32N6O5/c1-26(2,3)22-20-21(32(31-22)10-7-11-33)23(34)27-14-18(29-20)15-8-9-19(35-4)16(12-15)17-13-28-25(37-6)30-24(17)36-5/h8-9,12-13,33H,7,10-11,14H2,1-6H3,(H,27,34)
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n/an/a 1.92E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491686
PNG
(CHEMBL2387434)
Show SMILES COc1ccccc1-c1cc(ccc1OC)C1=Nc2c(nn(CCCO)c2C(=O)NC1)C(C)(C)C |t:18|
Show InChI InChI=1S/C27H32N4O4/c1-27(2,3)25-23-24(31(30-25)13-8-14-32)26(33)28-16-20(29-23)17-11-12-22(35-5)19(15-17)18-9-6-7-10-21(18)34-4/h6-7,9-12,15,32H,8,13-14,16H2,1-5H3,(H,28,33)
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n/an/a 2.07E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491683
PNG
(CHEMBL2387440)
Show SMILES COc1ccc(cc1-c1cnc(cc1C)N(C)C)C1=Nc2c(nn(CCCO)c2C(=O)NC1)C(C)(C)C |t:20|
Show InChI InChI=1S/C28H36N6O3/c1-17-13-23(33(5)6)29-15-20(17)19-14-18(9-10-22(19)37-7)21-16-30-27(36)25-24(31-21)26(28(2,3)4)32-34(25)11-8-12-35/h9-10,13-15,35H,8,11-12,16H2,1-7H3,(H,30,36)
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n/an/a 5.66E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491691
PNG
(CHEMBL2387438)
Show SMILES COc1ccc(cn1)-c1cc(ccc1OC)C1=Nc2c(nn(CCCO)c2C(=O)NC1)C(C)(C)C |t:18|
Show InChI InChI=1S/C26H31N5O4/c1-26(2,3)24-22-23(31(30-24)11-6-12-32)25(33)28-15-19(29-22)16-7-9-20(34-4)18(13-16)17-8-10-21(35-5)27-14-17/h7-10,13-14,32H,6,11-12,15H2,1-5H3,(H,28,33)
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n/an/a 6.19E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491684
PNG
(CHEMBL2387439)
Show SMILES COc1ccc(cc1-c1cnn(C)c1)C1=Nc2c(C(=O)NC1)n(CCCO)nc2C(C)(C)C |t:16|
Show InChI InChI=1S/C24H30N6O3/c1-24(2,3)22-20-21(30(28-22)9-6-10-31)23(32)25-13-18(27-20)15-7-8-19(33-5)17(11-15)16-12-26-29(4)14-16/h7-8,11-12,14,31H,6,9-10,13H2,1-5H3,(H,25,32)
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n/an/a 6.74E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491685
PNG
(CHEMBL2387435)
Show SMILES COc1ccc(OC)c(c1)-c1cc(ccc1OC)C1=Nc2c(nn(CCCO)c2C(=O)NC1)C(C)(C)C |t:20|
Show InChI InChI=1S/C28H34N4O5/c1-28(2,3)26-24-25(32(31-26)12-7-13-33)27(34)29-16-21(30-24)17-8-10-22(36-5)19(14-17)20-15-18(35-4)9-11-23(20)37-6/h8-11,14-15,33H,7,12-13,16H2,1-6H3,(H,29,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.11E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491696
PNG
(CHEMBL2387433)
Show SMILES COc1ccc(cc1-c1ccccc1F)C1=Nc2c(C(=O)NC1)n(CCCO)nc2C(C)(C)C |t:17|
Show InChI InChI=1S/C26H29FN4O3/c1-26(2,3)24-22-23(31(30-24)12-7-13-32)25(33)28-15-20(29-22)16-10-11-21(34-4)18(14-16)17-8-5-6-9-19(17)27/h5-6,8-11,14,32H,7,12-13,15H2,1-4H3,(H,28,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.16E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491695
PNG
(CHEMBL2387437)
Show SMILES COc1ccc(cc1-c1ccc(cc1)C(O)=O)C1=Nc2c(nn(CCCO)c2C(=O)NC1)C(C)(C)C |t:19|
Show InChI InChI=1S/C27H30N4O5/c1-27(2,3)24-22-23(31(30-24)12-5-13-32)25(33)28-15-20(29-22)18-10-11-21(36-4)19(14-18)16-6-8-17(9-7-16)26(34)35/h6-11,14,32H,5,12-13,15H2,1-4H3,(H,28,33)(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491688
PNG
(CHEMBL2387431)
Show SMILES COc1ccc(cc1-c1ccccc1SC)C1=Nc2c(C(=O)NC1)n(CCCO)nc2C(C)(C)C |t:18|
Show InChI InChI=1S/C27H32N4O3S/c1-27(2,3)25-23-24(31(30-25)13-8-14-32)26(33)28-16-20(29-23)17-11-12-21(34-4)19(15-17)18-9-6-7-10-22(18)35-5/h6-7,9-12,15,32H,8,13-14,16H2,1-5H3,(H,28,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491687
PNG
(CHEMBL2387432)
Show SMILES COc1ccc(cc1-c1ccc(F)cc1F)C1=Nc2c(C(=O)NC1)n(CCCO)nc2C(C)(C)C |t:18|
Show InChI InChI=1S/C26H28F2N4O3/c1-26(2,3)24-22-23(32(31-24)10-5-11-33)25(34)29-14-20(30-22)15-6-9-21(35-4)18(12-15)17-8-7-16(27)13-19(17)28/h6-9,12-13,33H,5,10-11,14H2,1-4H3,(H,29,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50491692
PNG
(CHEMBL2387436)
Show SMILES COc1ccc(c(OC)c1)-c1cc(ccc1OC)C1=Nc2c(nn(CCCO)c2C(=O)NC1)C(C)(C)C |t:20|
Show InChI InChI=1S/C28H34N4O5/c1-28(2,3)26-24-25(32(31-26)12-7-13-33)27(34)29-16-21(30-24)17-8-11-22(36-5)20(14-17)19-10-9-18(35-4)15-23(19)37-6/h8-11,14-15,33H,7,12-13,16H2,1-6H3,(H,29,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4B catalytic domain (unknown origin)


Bioorg Med Chem Lett 23: 3443-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.082
BindingDB Entry DOI: 10.7270/Q2C53PR1
More data for this
Ligand-Target Pair