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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50039556   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379979
PNG
(CHEMBL2012227)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3Cl)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H19ClF4N4O3/c1-11(30)21-20(22(34)31-10-14-15(25)4-3-5-16(14)26)33-23(36-21)13-6-8-17(35-2)19-12(13)7-9-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1
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n/an/a 0.0300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379984
PNG
(CHEMBL2012232)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3c(F)cc(F)cc3F)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H18F6N4O3/c1-10(31)21-20(22(35)32-9-14-15(26)7-11(25)8-16(14)27)34-23(37-21)13-3-5-17(36-2)19-12(13)4-6-18(33-19)24(28,29)30/h3-8,10H,9,31H2,1-2H3,(H,32,35)/t10-/m0/s1
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n/an/a 0.0400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379961
PNG
(CHEMBL2012226)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3F)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H19F5N4O3/c1-11(30)21-20(22(34)31-10-14-15(25)4-3-5-16(14)26)33-23(36-21)13-6-8-17(35-2)19-12(13)7-9-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379980
PNG
(CHEMBL2012228)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H19F5N4O3/c1-11(30)21-20(22(34)31-10-12-3-4-13(25)9-16(12)26)33-23(36-21)15-5-7-17(35-2)19-14(15)6-8-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1
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n/an/a 0.0600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379971
PNG
(CHEMBL2012218)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3Cl)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H17ClF4N4O3/c1-34-16-7-5-12(11-6-8-18(23(26,27)28)31-19(11)16)22-32-20(17(9-29)35-22)21(33)30-10-13-14(24)3-2-4-15(13)25/h2-8H,9-10,29H2,1H3,(H,30,33)
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n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379986
PNG
(CHEMBL2012237)
Show SMILES COc1ccc(-c2nc(C(=O)N[C@H](CO)c3ccccc3)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C25H23F3N4O4/c1-13(29)22-21(23(34)30-17(12-33)14-6-4-3-5-7-14)32-24(36-22)16-8-10-18(35-2)20-15(16)9-11-19(31-20)25(26,27)28/h3-11,13,17,33H,12,29H2,1-2H3,(H,30,34)/t13-,17+/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379977
PNG
(CHEMBL2012224)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3cccc(F)c3)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H20F4N4O3/c1-12(29)21-20(22(33)30-11-13-4-3-5-14(25)10-13)32-23(35-21)16-6-8-17(34-2)19-15(16)7-9-18(31-19)24(26,27)28/h3-10,12H,11,29H2,1-2H3,(H,30,33)/t12-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379978
PNG
(CHEMBL2012225)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccccc3F)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H20F4N4O3/c1-12(29)21-20(22(33)30-11-13-5-3-4-6-16(13)25)32-23(35-21)15-7-9-17(34-2)19-14(15)8-10-18(31-19)24(26,27)28/h3-10,12H,11,29H2,1-2H3,(H,30,33)/t12-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379976
PNG
(CHEMBL2012223)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF3N4O3/c1-12(29)21-20(22(33)30-11-13-3-5-14(25)6-4-13)32-23(35-21)16-7-9-17(34-2)19-15(16)8-10-18(31-19)24(26,27)28/h3-10,12H,11,29H2,1-2H3,(H,30,33)/t12-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379992
PNG
(CHEMBL2012235)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c(o2)[C@@H](N)C(C)C)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C26H23F5N4O3/c1-12(2)20(32)23-22(24(36)33-11-13-4-5-14(27)10-17(13)28)35-25(38-23)16-6-8-18(37-3)21-15(16)7-9-19(34-21)26(29,30)31/h4-10,12,20H,11,32H2,1-3H3,(H,33,36)/t20-/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379970
PNG
(CHEMBL2012217)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3F)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H17F5N4O3/c1-34-16-7-5-12(11-6-8-18(23(26,27)28)31-19(11)16)22-32-20(17(9-29)35-22)21(33)30-10-13-14(24)3-2-4-15(13)25/h2-8H,9-10,29H2,1H3,(H,30,33)
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n/an/a 0.460n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379969
PNG
(CHEMBL2012216)
Show SMILES COc1ccccc1CNC(=O)c1nc(oc1CN)-c1ccc(OC)c2nc(ccc12)C(F)(F)F
Show InChI InChI=1S/C24H21F3N4O4/c1-33-16-6-4-3-5-13(16)12-29-22(32)21-18(11-28)35-23(31-21)15-7-9-17(34-2)20-14(15)8-10-19(30-20)24(25,26)27/h3-10H,11-12,28H2,1-2H3,(H,29,32)
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379972
PNG
(CHEMBL2012219)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H17F5N4O3/c1-34-16-6-4-14(13-5-7-18(23(26,27)28)31-19(13)16)22-32-20(17(9-29)35-22)21(33)30-10-11-2-3-12(24)8-15(11)25/h2-8H,9-10,29H2,1H3,(H,30,33)
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379983
PNG
(CHEMBL2012231)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(F)c(F)c3)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H19F5N4O3/c1-11(30)21-20(22(34)31-10-12-3-6-15(25)16(26)9-12)33-23(36-21)14-4-7-17(35-2)19-13(14)5-8-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50379972
PNG
(CHEMBL2012219)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H17F5N4O3/c1-34-16-6-4-14(13-5-7-18(23(26,27)28)31-19(13)16)22-32-20(17(9-29)35-22)21(33)30-10-11-2-3-12(24)8-15(11)25/h2-8H,9-10,29H2,1H3,(H,30,33)
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379982
PNG
(CHEMBL2012230)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3Cl)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H19Cl2F3N4O3/c1-11(30)21-20(22(34)31-10-12-3-4-13(25)9-16(12)26)33-23(36-21)15-5-7-17(35-2)19-14(15)6-8-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379981
PNG
(CHEMBL2012229)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3F)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H19ClF4N4O3/c1-11(30)21-20(22(34)31-10-12-3-4-13(25)9-16(12)26)33-23(36-21)15-5-7-17(35-2)19-14(15)6-8-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379990
PNG
(CHEMBL2012233)
Show SMILES CC[C@H](N)c1oc(nc1C(=O)NCc1ccc(Cl)cc1)-c1ccc(OC)c2nc(ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C25H22ClF3N4O3/c1-3-17(30)22-21(23(34)31-12-13-4-6-14(26)7-5-13)33-24(36-22)16-8-10-18(35-2)20-15(16)9-11-19(32-20)25(27,28)29/h4-11,17H,3,12,30H2,1-2H3,(H,31,34)/t17-/m0/s1
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n/an/a 0.810n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379967
PNG
(CHEMBL2012214)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccccc3F)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H18F4N4O3/c1-33-16-8-6-14(13-7-9-18(23(25,26)27)30-19(13)16)22-31-20(17(10-28)34-22)21(32)29-11-12-4-2-3-5-15(12)24/h2-9H,10-11,28H2,1H3,(H,29,32)
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n/an/a 0.900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379968
PNG
(CHEMBL2012215)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccccc3Cl)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H18ClF3N4O3/c1-33-16-8-6-14(13-7-9-18(23(25,26)27)30-19(13)16)22-31-20(17(10-28)34-22)21(32)29-11-12-4-2-3-5-15(12)24/h2-9H,10-11,28H2,1H3,(H,29,32)
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379966
PNG
(CHEMBL2012213)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3cccc(Cl)c3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H18ClF3N4O3/c1-33-16-7-5-15(14-6-8-18(23(25,26)27)30-19(14)16)22-31-20(17(10-28)34-22)21(32)29-11-12-3-2-4-13(24)9-12/h2-9H,10-11,28H2,1H3,(H,29,32)
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379985
PNG
(CHEMBL2012236)
Show SMILES COc1ccc(-c2nc(C(=O)N[C@H](CO)c3ccccc3)c(CN)o2)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H21F3N4O4/c1-34-17-9-7-15(14-8-10-19(24(25,26)27)30-20(14)17)23-31-21(18(11-28)35-23)22(33)29-16(12-32)13-5-3-2-4-6-13/h2-10,16,32H,11-12,28H2,1H3,(H,29,33)/t16-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379965
PNG
(CHEMBL2012212)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3cccc(F)c3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H18F4N4O3/c1-33-16-7-5-15(14-6-8-18(23(25,26)27)30-19(14)16)22-31-20(17(10-28)34-22)21(32)29-11-12-3-2-4-13(24)9-12/h2-9H,10-11,28H2,1H3,(H,29,32)
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379975
PNG
(CHEMBL2012222)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(F)c(F)c3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H17F5N4O3/c1-34-16-6-3-13(12-4-7-18(23(26,27)28)31-19(12)16)22-32-20(17(9-29)35-22)21(33)30-10-11-2-5-14(24)15(25)8-11/h2-8H,9-10,29H2,1H3,(H,30,33)
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n/an/a 2.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379973
PNG
(CHEMBL2012220)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3F)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H17ClF4N4O3/c1-34-16-6-4-14(13-5-7-18(23(26,27)28)31-19(13)16)22-32-20(17(9-29)35-22)21(33)30-10-11-2-3-12(24)8-15(11)25/h2-8H,9-10,29H2,1H3,(H,30,33)
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n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379964
PNG
(CHEMBL2012209)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H18ClF3N4O3/c1-33-16-8-6-15(14-7-9-18(23(25,26)27)30-19(14)16)22-31-20(17(10-28)34-22)21(32)29-11-12-2-4-13(24)5-3-12/h2-9H,10-11,28H2,1H3,(H,29,32)
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n/an/a 3.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379962
PNG
(CHEMBL2012207)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccccc3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H19F3N4O3/c1-32-16-9-7-15(14-8-10-18(23(24,25)26)29-19(14)16)22-30-20(17(11-27)33-22)21(31)28-12-13-5-3-2-4-6-13/h2-10H,11-12,27H2,1H3,(H,28,31)
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n/an/a 3.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379963
PNG
(CHEMBL2012208)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H18F4N4O3/c1-33-16-8-6-15(14-7-9-18(23(25,26)27)30-19(14)16)22-31-20(17(10-28)34-22)21(32)29-11-12-2-4-13(24)5-3-12/h2-9H,10-11,28H2,1H3,(H,29,32)
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n/an/a 4.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379974
PNG
(CHEMBL2012221)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3Cl)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H17Cl2F3N4O3/c1-34-16-6-4-14(13-5-7-18(23(26,27)28)31-19(13)16)22-32-20(17(9-29)35-22)21(33)30-10-11-2-3-12(24)8-15(11)25/h2-8H,9-10,29H2,1H3,(H,30,33)
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n/an/a 4.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379987
PNG
(CHEMBL2012238)
Show SMILES COc1ccc(-c2nc(C(=O)N[C@H](CO)c3ccccc3)c(o2)[C@@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C25H23F3N4O4/c1-13(29)22-21(23(34)30-17(12-33)14-6-4-3-5-7-14)32-24(36-22)16-8-10-18(35-2)20-15(16)9-11-19(31-20)25(26,27)28/h3-11,13,17,33H,12,29H2,1-2H3,(H,30,34)/t13-,17-/m1/s1
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n/an/a 8.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379991
PNG
(CHEMBL2012234)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3)c(o2)[C@@H](N)CO)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF3N4O4/c1-35-17-8-6-15(14-7-9-18(24(26,27)28)31-19(14)17)23-32-20(21(36-23)16(29)11-33)22(34)30-10-12-2-4-13(25)5-3-12/h2-9,16,33H,10-11,29H2,1H3,(H,30,34)/t16-/m0/s1
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n/an/a 12.7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379988
PNG
(CHEMBL2012210)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(cc3)C#N)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C24H18F3N5O3/c1-34-17-8-6-16(15-7-9-19(24(25,26)27)31-20(15)17)23-32-21(18(11-29)35-23)22(33)30-12-14-4-2-13(10-28)3-5-14/h2-9H,11-12,29H2,1H3,(H,30,33)
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50379989
PNG
(CHEMBL2012211)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(cc3)S(C)(=O)=O)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C24H21F3N4O5S/c1-35-17-9-7-16(15-8-10-19(24(25,26)27)30-20(15)17)23-31-21(18(11-28)36-23)22(32)29-12-13-3-5-14(6-4-13)37(2,33)34/h3-10H,11-12,28H2,1-2H3,(H,29,32)
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379969
PNG
(CHEMBL2012216)
Show SMILES COc1ccccc1CNC(=O)c1nc(oc1CN)-c1ccc(OC)c2nc(ccc12)C(F)(F)F
Show InChI InChI=1S/C24H21F3N4O4/c1-33-16-6-4-3-5-13(16)12-29-22(32)21-18(11-28)35-23(31-21)15-7-9-17(34-2)20-14(15)8-10-19(30-20)24(25,26)27/h3-10H,11-12,28H2,1-2H3,(H,29,32)
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n/an/a 870n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379974
PNG
(CHEMBL2012221)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3Cl)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H17Cl2F3N4O3/c1-34-16-6-4-14(13-5-7-18(23(26,27)28)31-19(13)16)22-32-20(17(9-29)35-22)21(33)30-10-11-2-3-12(24)8-15(11)25/h2-8H,9-10,29H2,1H3,(H,30,33)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379976
PNG
(CHEMBL2012223)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H20ClF3N4O3/c1-12(29)21-20(22(33)30-11-13-3-5-14(25)6-4-13)32-23(35-21)16-7-9-17(34-2)19-15(16)8-10-18(31-19)24(26,27)28/h3-10,12H,11,29H2,1-2H3,(H,30,33)/t12-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379978
PNG
(CHEMBL2012225)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccccc3F)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H20F4N4O3/c1-12(29)21-20(22(33)30-11-13-5-3-4-6-16(13)25)32-23(35-21)15-7-9-17(34-2)19-14(15)8-10-18(31-19)24(26,27)28/h3-10,12H,11,29H2,1-2H3,(H,30,33)/t12-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379981
PNG
(CHEMBL2012229)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3F)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H19ClF4N4O3/c1-11(30)21-20(22(34)31-10-12-3-4-13(25)9-16(12)26)33-23(36-21)15-5-7-17(35-2)19-14(15)6-8-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379971
PNG
(CHEMBL2012218)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3Cl)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H17ClF4N4O3/c1-34-16-7-5-12(11-6-8-18(23(26,27)28)31-19(11)16)22-32-20(17(9-29)35-22)21(33)30-10-13-14(24)3-2-4-15(13)25/h2-8H,9-10,29H2,1H3,(H,30,33)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379977
PNG
(CHEMBL2012224)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3cccc(F)c3)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H20F4N4O3/c1-12(29)21-20(22(33)30-11-13-4-3-5-14(25)10-13)32-23(35-21)16-6-8-17(34-2)19-15(16)7-9-18(31-19)24(26,27)28/h3-10,12H,11,29H2,1-2H3,(H,30,33)/t12-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379961
PNG
(CHEMBL2012226)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3F)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H19F5N4O3/c1-11(30)21-20(22(34)31-10-14-15(25)4-3-5-16(14)26)33-23(36-21)13-6-8-17(35-2)19-12(13)7-9-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379979
PNG
(CHEMBL2012227)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3Cl)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H19ClF4N4O3/c1-11(30)21-20(22(34)31-10-14-15(25)4-3-5-16(14)26)33-23(36-21)13-6-8-17(35-2)19-12(13)7-9-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379982
PNG
(CHEMBL2012230)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3Cl)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H19Cl2F3N4O3/c1-11(30)21-20(22(34)31-10-12-3-4-13(25)9-16(12)26)33-23(36-21)15-5-7-17(35-2)19-14(15)6-8-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379983
PNG
(CHEMBL2012231)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(F)c(F)c3)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H19F5N4O3/c1-11(30)21-20(22(34)31-10-12-3-6-15(25)16(26)9-12)33-23(36-21)14-4-7-17(35-2)19-13(14)5-8-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379966
PNG
(CHEMBL2012213)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3cccc(Cl)c3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H18ClF3N4O3/c1-33-16-7-5-15(14-6-8-18(23(25,26)27)30-19(14)16)22-31-20(17(10-28)34-22)21(32)29-11-12-3-2-4-13(24)9-12/h2-9H,10-11,28H2,1H3,(H,29,32)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379975
PNG
(CHEMBL2012222)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(F)c(F)c3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H17F5N4O3/c1-34-16-6-3-13(12-4-7-18(23(26,27)28)31-19(12)16)22-32-20(17(9-29)35-22)21(33)30-10-11-2-5-14(24)15(25)8-11/h2-8H,9-10,29H2,1H3,(H,30,33)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379972
PNG
(CHEMBL2012219)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H17F5N4O3/c1-34-16-6-4-14(13-5-7-18(23(26,27)28)31-19(13)16)22-32-20(17(9-29)35-22)21(33)30-10-11-2-3-12(24)8-15(11)25/h2-8H,9-10,29H2,1H3,(H,30,33)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379968
PNG
(CHEMBL2012215)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccccc3Cl)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H18ClF3N4O3/c1-33-16-8-6-14(13-7-9-18(23(25,26)27)30-19(13)16)22-31-20(17(10-28)34-22)21(32)29-11-12-4-2-3-5-15(12)24/h2-9H,10-11,28H2,1H3,(H,29,32)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379980
PNG
(CHEMBL2012228)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H19F5N4O3/c1-11(30)21-20(22(34)31-10-12-3-4-13(25)9-16(12)26)33-23(36-21)15-5-7-17(35-2)19-14(15)6-8-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50379970
PNG
(CHEMBL2012217)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3F)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C23H17F5N4O3/c1-34-16-7-5-12(11-6-8-18(23(26,27)28)31-19(11)16)22-32-20(17(9-29)35-22)21(33)30-10-13-14(24)3-2-4-15(13)25/h2-8H,9-10,29H2,1H3,(H,30,33)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
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