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Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'celly' and Initial = 'cs'   
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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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))
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))
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))
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))
BDBM50219278
PNG
(CHEMBL250137 | [5-aminomethyl-2-(8-methoxy-2-trifl...)
Show SMILES COc1ccc(-c2nc(C(=O)N3CCN(CC3)C(=O)c3cc(C)n[nH]3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C25H24F3N7O4/c1-13-11-16(33-32-13)23(36)34-7-9-35(10-8-34)24(37)21-18(12-29)39-22(31-21)15-3-5-17(38-2)20-14(15)4-6-19(30-20)25(26,27)28/h3-6,11H,7-10,12,29H2,1-2H3,(H,32,33)
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n/an/a 0.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
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 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))
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 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))
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))
BDBM50219274
PNG
(8-[5-aminomethyl-2-(8-methoxy-2-trifluoromethyl-qu...)
Show SMILES COc1ccc(-c2nc(C(=O)N3CCC4(CC3)N(CNC4=O)c3ccccc3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C29H27F3N6O4/c1-41-20-9-7-19(18-8-10-22(29(30,31)32)35-23(18)20)25-36-24(21(15-33)42-25)26(39)37-13-11-28(12-14-37)27(40)34-16-38(28)17-5-3-2-4-6-17/h2-10H,11-16,33H2,1H3,(H,34,40)
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n/an/a 1n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50219281
PNG
(CHEMBL399385 | [5-aminomethyl-2-(8-methoxy-2-trifl...)
Show SMILES COc1ccc(-c2nc(C(=O)N3CCN(CC3)C(=O)c3ccccn3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C26H23F3N6O4/c1-38-18-7-5-16(15-6-8-20(26(27,28)29)32-21(15)18)23-33-22(19(14-30)39-23)25(37)35-12-10-34(11-13-35)24(36)17-4-2-3-9-31-17/h2-9H,10-14,30H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
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))
BDBM50219277
PNG
(4-(5-(aminomethyl)-2-(8-methoxy-2-(trifluoromethyl...)
Show SMILES COc1ccc(-c2nc(C(=O)N3CCN(CC3)S(=O)(=O)N(C)C)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C22H25F3N6O5S/c1-29(2)37(33,34)31-10-8-30(9-11-31)21(32)19-16(12-26)36-20(28-19)14-4-6-15(35-3)18-13(14)5-7-17(27-18)22(23,24)25/h4-7H,8-12,26H2,1-3H3
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n/an/a 1.20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50219268
PNG
(CHEMBL399298 | tert-butyl (R)-1-(5-(aminomethyl)-2...)
Show SMILES COc1ccc(-c2nc(C(=O)N3CC[C@H](C3)NC(=O)OC(C)(C)C)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C25H28F3N5O5/c1-24(2,3)38-23(35)30-13-9-10-33(12-13)22(34)20-17(11-29)37-21(32-20)15-5-7-16(36-4)19-14(15)6-8-18(31-19)25(26,27)28/h5-8,13H,9-12,29H2,1-4H3,(H,30,35)/t13-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
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))
BDBM50219273
PNG
((Z)-(5-(aminomethyl)-2-(8-methoxy-2-(trifluorometh...)
Show SMILES CO\N=C(\C1CCN(CC1)C(=O)c1nc(oc1CN)-c1ccc(OC)c2nc(ccc12)C(F)(F)F)c1ccccn1
Show InChI InChI=1S/C28H27F3N6O4/c1-39-20-8-6-18(17-7-9-22(28(29,30)31)34-24(17)20)26-35-25(21(15-32)41-26)27(38)37-13-10-16(11-14-37)23(36-40-2)19-5-3-4-12-33-19/h3-9,12,16H,10-11,13-15,32H2,1-2H3/b36-23-
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n/an/a 1.60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
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))
BDBM50219272
PNG
((5-(aminomethyl)-2-(8-methoxy-2-(trifluoromethyl)q...)
Show SMILES COc1ccc(-c2nc(C(=O)N3CCC(O)(CC3)c3ccccc3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C27H25F3N4O4/c1-37-19-9-7-18(17-8-10-21(27(28,29)30)32-22(17)19)24-33-23(20(15-31)38-24)25(35)34-13-11-26(36,12-14-34)16-5-3-2-4-6-16/h2-10,36H,11-15,31H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50219269
PNG
((5-(aminomethyl)-2-(8-methoxy-2-(trifluoromethyl)q...)
Show SMILES COc1cc(OC)nc(n1)N1CCN(CC1)C(=O)c1nc(oc1CN)-c1ccc(OC)c2nc(ccc12)C(F)(F)F
Show InChI InChI=1S/C26H26F3N7O5/c1-38-16-6-4-15(14-5-7-18(26(27,28)29)31-21(14)16)23-34-22(17(13-30)41-23)24(37)35-8-10-36(11-9-35)25-32-19(39-2)12-20(33-25)40-3/h4-7,12H,8-11,13,30H2,1-3H3
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n/an/a 2.20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
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))
BDBM50219275
PNG
(CHEMBL249691 | tert-butyl 4-(5-(aminomethyl)-2-(8-...)
Show SMILES COc1ccc(-c2nc(C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C25H28F3N5O5/c1-24(2,3)38-23(35)33-11-9-32(10-12-33)22(34)20-17(13-29)37-21(31-20)15-5-7-16(36-4)19-14(15)6-8-18(30-19)25(26,27)28/h5-8H,9-13,29H2,1-4H3
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n/an/a 4.30n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
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))
BDBM50219284
PNG
((5-(aminomethyl)-2-(8-methoxy-2-(trifluoromethyl)q...)
Show SMILES COc1ccc(-c2nc(C(=O)N3CCCC3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C20H19F3N4O3/c1-29-13-6-4-12(11-5-7-15(20(21,22)23)25-16(11)13)18-26-17(14(10-24)30-18)19(28)27-8-2-3-9-27/h4-7H,2-3,8-10,24H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50219276
PNG
((5-(aminomethyl)-2-(8-methoxy-2-(trifluoromethyl)q...)
Show SMILES COc1ccc(-c2nc(C(=O)N3CCN(CC3)c3ncccn3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C24H22F3N7O3/c1-36-16-5-3-15(14-4-6-18(24(25,26)27)31-19(14)16)21-32-20(17(13-28)37-21)22(35)33-9-11-34(12-10-33)23-29-7-2-8-30-23/h2-8H,9-13,28H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50114418
PNG
(8-Methoxy-2-trifluoromethyl-quinoline-5-carboxylic...)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10Cl2F3N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26)
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n/an/a 20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50219274
PNG
(8-[5-aminomethyl-2-(8-methoxy-2-trifluoromethyl-qu...)
Show SMILES COc1ccc(-c2nc(C(=O)N3CCC4(CC3)N(CNC4=O)c3ccccc3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C29H27F3N6O4/c1-41-20-9-7-19(18-8-10-22(29(30,31)32)35-23(18)20)25-36-24(21(15-33)42-25)26(39)37-13-11-28(12-14-37)27(40)34-16-38(28)17-5-3-2-4-6-17/h2-10H,11-16,33H2,1H3,(H,34,40)
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n/an/a 20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE10


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50219271
PNG
(5-(aminomethyl)-2-(8-methoxy-2-(trifluoromethyl)qu...)
Show SMILES COc1ccc(-c2nc(C(N)=O)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C16H13F3N4O3/c1-25-9-4-2-8(15-23-13(14(21)24)10(6-20)26-15)7-3-5-11(16(17,18)19)22-12(7)9/h2-5H,6,20H2,1H3,(H2,21,24)
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n/an/a 24n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
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))
BDBM50219290
PNG
((5-(aminomethyl)-2-(8-methoxy-2-(trifluoromethyl)q...)
Show SMILES COc1ccc(-c2nc(C(=O)N3CCC3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C19H17F3N4O3/c1-28-12-5-3-11(10-4-6-14(19(20,21)22)24-15(10)12)17-25-16(13(9-23)29-17)18(27)26-7-2-8-26/h3-6H,2,7-9,23H2,1H3
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n/an/a 31n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50219287
PNG
((5-(aminomethyl)-2-(8-methoxy-2-(trifluoromethyl)q...)
Show SMILES COc1ccc(-c2nc(C(=O)N3CCCCC3)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C21H21F3N4O3/c1-30-14-7-5-13(12-6-8-16(21(22,23)24)26-17(12)14)19-27-18(15(11-25)31-19)20(29)28-9-3-2-4-10-28/h5-8H,2-4,9-11,25H2,1H3
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n/an/a 49n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50219293
PNG
(5-(aminomethyl)-2-(8-methoxy-2-(trifluoromethyl)qu...)
Show SMILES COc1ccc(-c2nc(C(O)=O)c(CN)o2)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C16H12F3N3O4/c1-25-9-4-2-8(14-22-13(15(23)24)10(6-20)26-14)7-3-5-11(16(17,18)19)21-12(7)9/h2-5H,6,20H2,1H3,(H,23,24)
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n/an/a 53n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
More data for this
Ligand-Target Pair
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