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Compile Data Set for Download or QSAR

Found 3297 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 4'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50415001
PNG
(CHEMBL570015 | GSK-256066 | GSK-256066 (3))
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1
Show InChI InChI=1S/C27H26N4O5S/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4/h5-15H,1-4H3,(H2,28,32)(H,29,30)
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n/an/a 0.00794n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50415001
PNG
(CHEMBL570015 | GSK-256066 | GSK-256066 (3))
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1
Show InChI InChI=1S/C27H26N4O5S/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4/h5-15H,1-4H3,(H2,28,32)(H,29,30)
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n/an/a>0.0100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50414999
PNG
(CHEMBL569791)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1
Show InChI InChI=1S/C26H24N4O5S/c1-30(2)26(32)16-6-4-9-19(12-16)36(33,34)20-10-11-23-21(14-20)24(22(15-28-23)25(27)31)29-17-7-5-8-18(13-17)35-3/h4-15H,1-3H3,(H2,27,31)(H,28,29)
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n/an/a 0.0100n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017300
PNG
(CHEMBL3287987)
Show SMILES Cc1cc(nn1C)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1
Show InChI InChI=1S/C36H41FN6O5/c1-23-17-33(41-42(23)2)35(46)40-28-9-7-27(8-10-28)39-34(45)32-20-26(37)21-38-36(32)48-30-6-3-5-24(19-30)31-12-11-29(44)18-25(31)22-43-13-4-15-47-16-14-43/h3,5-6,11-12,17-21,27-28,44H,4,7-10,13-16,22H2,1-2H3,(H,39,45)(H,40,46)/t27-,28+
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n/an/a 0.0100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017296
PNG
(CHEMBL3287739)
Show SMILES Cc1cc(nn1C)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1
Show InChI InChI=1S/C35H39FN6O5/c1-22-16-32(40-41(22)2)34(45)39-27-8-6-26(7-9-27)38-33(44)31-19-25(36)20-37-35(31)47-29-5-3-4-23(18-29)30-11-10-28(43)17-24(30)21-42-12-14-46-15-13-42/h3-5,10-11,16-20,26-27,43H,6-9,12-15,21H2,1-2H3,(H,38,44)(H,39,45)/t26-,27+
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n/an/a 0.0158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017304
PNG
(CHEMBL3287991)
Show SMILES Cc1csc(n1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1
Show InChI InChI=1S/C34H36FN5O5S/c1-21-20-46-34(37-21)32(43)39-26-7-5-25(6-8-26)38-31(42)30-17-24(35)18-36-33(30)45-28-4-2-3-22(16-28)29-10-9-27(41)15-23(29)19-40-11-13-44-14-12-40/h2-4,9-10,15-18,20,25-26,41H,5-8,11-14,19H2,1H3,(H,38,42)(H,39,43)/t25-,26+
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n/an/a 0.0158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017308
PNG
(CHEMBL3287995)
Show SMILES Cc1cccc2nc(cn12)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1
Show InChI InChI=1S/C38H39FN6O5/c1-24-4-2-7-35-43-34(23-45(24)35)37(48)42-29-10-8-28(9-11-29)41-36(47)33-20-27(39)21-40-38(33)50-31-6-3-5-25(19-31)32-13-12-30(46)18-26(32)22-44-14-16-49-17-15-44/h2-7,12-13,18-21,23,28-29,46H,8-11,14-17,22H2,1H3,(H,41,47)(H,42,48)/t28-,29+
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n/an/a 0.0158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017295
PNG
(CHEMBL3288030)
Show SMILES C[C@H]1CN(Cc2ccc(c(CN3CCOCC3)c2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)ccc3O)c2)C[C@@H](C)N1
Show InChI InChI=1S/C44H53FN6O5/c1-28-7-14-41(52)39(19-28)42(53)48-35-9-11-36(12-10-35)49-43(54)40-22-34(45)23-46-44(40)56-37-6-4-5-32(21-37)38-13-8-31(26-51-24-29(2)47-30(3)25-51)20-33(38)27-50-15-17-55-18-16-50/h4-8,13-14,19-23,29-30,35-36,47,52H,9-12,15-18,24-27H2,1-3H3,(H,48,53)(H,49,54)/t29-,30+,35-,36+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017307
PNG
(CHEMBL3287994)
Show SMILES Cc1cccc(n1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1
Show InChI InChI=1S/C37H40FN5O5/c1-24-5-2-8-34(40-24)36(46)42-29-11-9-28(10-12-29)41-35(45)33-21-27(38)22-39-37(33)48-31-7-3-6-25(20-31)32-14-13-30(44)19-26(32)23-43-15-4-17-47-18-16-43/h2-3,5-8,13-14,19-22,28-29,44H,4,9-12,15-18,23H2,1H3,(H,41,45)(H,42,46)/t28-,29+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017338
PNG
(CHEMBL3288027)
Show SMILES C[C@H]1CN(CCCc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)n(C)n3)c2)C[C@@H](C)N1
Show InChI InChI=1S/C39H48FN7O3/c1-25-23-47(24-26(2)42-25)18-6-7-28-10-12-29(13-11-28)30-8-5-9-34(20-30)50-39-35(21-31(40)22-41-39)37(48)43-32-14-16-33(17-15-32)44-38(49)36-19-27(3)46(4)45-36/h5,8-13,19-22,25-26,32-33,42H,6-7,14-18,23-24H2,1-4H3,(H,43,48)(H,44,49)/t25-,26+,32-,33+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017335
PNG
(CHEMBL3288024)
Show SMILES C[C@H]1CN(Cc2cc(ccc2O)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)n(C)n3)c2)C[C@@H](C)N1
Show InChI InChI=1S/C37H44FN7O4/c1-22-19-45(20-23(2)40-22)21-27-15-26(8-13-34(27)46)25-6-5-7-31(16-25)49-37-32(17-28(38)18-39-37)35(47)41-29-9-11-30(12-10-29)42-36(48)33-14-24(3)44(4)43-33/h5-8,13-18,22-23,29-30,40,46H,9-12,19-21H2,1-4H3,(H,41,47)(H,42,48)/t22-,23+,29-,30+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017313
PNG
(CHEMBL3287999)
Show SMILES Oc1ccc(c(CN2CCCOCC2)c1)-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2cn3cc(F)ccc3n2)c1
Show InChI InChI=1S/C38H38F2N6O5/c39-26-5-12-35-44-34(23-46(35)22-26)37(49)43-29-8-6-28(7-9-29)42-36(48)33-19-27(40)20-41-38(33)51-31-4-1-3-24(18-31)32-11-10-30(47)17-25(32)21-45-13-2-15-50-16-14-45/h1,3-5,10-12,17-20,22-23,28-29,47H,2,6-9,13-16,21H2,(H,42,48)(H,43,49)/t28-,29+
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n/an/a 0.0200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT)
BDBM50017294
PNG
(CHEMBL3288029)
Show SMILES C[C@H]1CN(Cc2ccc(c(CN3CCOCC3)c2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3nc(C)cs3)c2)C[C@@H](C)N1
Show InChI InChI=1S/C41H50FN7O4S/c1-26-21-49(22-27(2)44-26)23-29-7-12-36(31(17-29)24-48-13-15-52-16-14-48)30-5-4-6-35(18-30)53-40-37(19-32(42)20-43-40)38(50)46-33-8-10-34(11-9-33)47-39(51)41-45-28(3)25-54-41/h4-7,12,17-20,25-27,33-34,44H,8-11,13-16,21-24H2,1-3H3,(H,46,50)(H,47,51)/t26-,27+,33-,34+
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n/an/a 0.0200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of rat PDE4B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4D (PDE4D)


(Homo sapiens (Human))
BDBM50017295
PNG
(CHEMBL3288030)
Show SMILES C[C@H]1CN(Cc2ccc(c(CN3CCOCC3)c2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)ccc3O)c2)C[C@@H](C)N1
Show InChI InChI=1S/C44H53FN6O5/c1-28-7-14-41(52)39(19-28)42(53)48-35-9-11-36(12-10-35)49-43(54)40-22-34(45)23-46-44(40)56-37-6-4-5-32(21-37)38-13-8-31(26-51-24-29(2)47-30(3)25-51)20-33(38)27-50-15-17-55-18-16-50/h4-8,13-14,19-23,29-30,35-36,47,52H,9-12,15-18,24-27H2,1-3H3,(H,48,53)(H,49,54)/t29-,30+,35-,36+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4D (PDE4D)


(Homo sapiens (Human))
BDBM50017294
PNG
(CHEMBL3288029)
Show SMILES C[C@H]1CN(Cc2ccc(c(CN3CCOCC3)c2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3nc(C)cs3)c2)C[C@@H](C)N1
Show InChI InChI=1S/C41H50FN7O4S/c1-26-21-49(22-27(2)44-26)23-29-7-12-36(31(17-29)24-48-13-15-52-16-14-48)30-5-4-6-35(18-30)53-40-37(19-32(42)20-43-40)38(50)46-33-8-10-34(11-9-33)47-39(51)41-45-28(3)25-54-41/h4-7,12,17-20,25-27,33-34,44H,8-11,13-16,21-24H2,1-3H3,(H,46,50)(H,47,51)/t26-,27+,33-,34+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017303
PNG
(CHEMBL3287990)
Show SMILES Cc1nc(cs1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1
Show InChI InChI=1S/C35H38FN5O5S/c1-22-38-32(21-47-22)34(44)40-27-8-6-26(7-9-27)39-33(43)31-18-25(36)19-37-35(31)46-29-5-2-4-23(17-29)30-11-10-28(42)16-24(30)20-41-12-3-14-45-15-13-41/h2,4-5,10-11,16-19,21,26-27,42H,3,6-9,12-15,20H2,1H3,(H,39,43)(H,40,44)/t26-,27+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50353707
PNG
(CHEMBL1830791)
Show SMILES CC1(C)CCc2c(Nc3c(Cl)cncc3Cl)nc3oc4c(NCc5cccnc5)ncnc4c3c2C1
Show InChI InChI=1S/C26H23Cl2N7O/c1-26(2)6-5-15-16(8-26)19-21-22(24(33-13-32-21)31-10-14-4-3-7-29-9-14)36-25(19)35-23(15)34-20-17(27)11-30-12-18(20)28/h3-4,7,9,11-13H,5-6,8,10H2,1-2H3,(H,30,34,35)(H,31,32,33)
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n/an/a 0.0200n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 assessed as inhibition of [3H]cAMP hydrolysis to [3H]AMP after 15 mins by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50415009
PNG
(CHEMBL571381)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cccc(OC)c3)c2c1
Show InChI InChI=1S/C25H23N3O5S/c1-15-11-20(34(30,31)19-9-7-17(32-2)8-10-19)13-21-23(15)27-14-22(25(26)29)24(21)28-16-5-4-6-18(12-16)33-3/h4-14H,1-3H3,(H2,26,29)(H,27,28)
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n/an/a 0.0200n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4D (PDE4D)


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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n/an/a 0.0210n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017314
PNG
(CHEMBL3288000)
Show SMILES Cc1cccc(O)c1C(=O)N[C@@H]1CC[C@@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1
Show InChI InChI=1S/C37H39FN4O6/c1-23-4-2-7-33(44)34(23)36(46)41-28-10-8-27(9-11-28)40-35(45)32-20-26(38)21-39-37(32)48-30-6-3-5-24(19-30)31-13-12-29(43)18-25(31)22-42-14-16-47-17-15-42/h2-7,12-13,18-21,27-28,43-44H,8-11,14-17,22H2,1H3,(H,40,45)(H,41,46)/t27-,28+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017298
PNG
(CHEMBL3288010)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc4ccccn4n3)c2)C[C@@H](C)N1
Show InChI InChI=1S/C39H42FN7O3/c1-25-22-46(23-26(2)42-25)24-27-9-11-28(12-10-27)29-6-5-8-34(18-29)50-39-35(19-30(40)21-41-39)37(48)43-31-13-15-32(16-14-31)44-38(49)36-20-33-7-3-4-17-47(33)45-36/h3-12,17-21,25-26,31-32,42H,13-16,22-24H2,1-2H3,(H,43,48)(H,44,49)/t25-,26+,31-,32+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017324
PNG
(CHEMBL3288012)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)n(C)n3)c2)C[C@@H](C)N1
Show InChI InChI=1S/C37H44FN7O3/c1-23-20-45(21-24(2)40-23)22-26-8-10-27(11-9-26)28-6-5-7-32(17-28)48-37-33(18-29(38)19-39-37)35(46)41-30-12-14-31(15-13-30)42-36(47)34-16-25(3)44(4)43-34/h5-11,16-19,23-24,30-31,40H,12-15,20-22H2,1-4H3,(H,41,46)(H,42,47)/t23-,24+,30-,31+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017294
PNG
(CHEMBL3288029)
Show SMILES C[C@H]1CN(Cc2ccc(c(CN3CCOCC3)c2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3nc(C)cs3)c2)C[C@@H](C)N1
Show InChI InChI=1S/C41H50FN7O4S/c1-26-21-49(22-27(2)44-26)23-29-7-12-36(31(17-29)24-48-13-15-52-16-14-48)30-5-4-6-35(18-30)53-40-37(19-32(42)20-43-40)38(50)46-33-8-10-34(11-9-33)47-39(51)41-45-28(3)25-54-41/h4-7,12,17-20,25-27,33-34,44H,8-11,13-16,21-24H2,1-3H3,(H,46,50)(H,47,51)/t26-,27+,33-,34+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT)
BDBM50017295
PNG
(CHEMBL3288030)
Show SMILES C[C@H]1CN(Cc2ccc(c(CN3CCOCC3)c2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)ccc3O)c2)C[C@@H](C)N1
Show InChI InChI=1S/C44H53FN6O5/c1-28-7-14-41(52)39(19-28)42(53)48-35-9-11-36(12-10-35)49-43(54)40-22-34(45)23-46-44(40)56-37-6-4-5-32(21-37)38-13-8-31(26-51-24-29(2)47-30(3)25-51)20-33(38)27-50-15-17-55-18-16-50/h4-8,13-14,19-23,29-30,35-36,47,52H,9-12,15-18,24-27H2,1-3H3,(H,48,53)(H,49,54)/t29-,30+,35-,36+
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n/an/a 0.0251n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of rat PDE4B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017301
PNG
(CHEMBL3287988)
Show SMILES Cc1nc(cs1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1
Show InChI InChI=1S/C34H36FN5O5S/c1-21-37-31(20-46-21)33(43)39-26-7-5-25(6-8-26)38-32(42)30-17-24(35)18-36-34(30)45-28-4-2-3-22(16-28)29-10-9-27(41)15-23(29)19-40-11-13-44-14-12-40/h2-4,9-10,15-18,20,25-26,41H,5-8,11-14,19H2,1H3,(H,38,42)(H,39,43)/t25-,26+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50134434
PNG
(CHEMBL3746046)
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n/an/a 0.0300n/an/an/an/an/an/a



Sanofi Research Center

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50183805
PNG
(1-((3-(6-(2-cyanopropan-2-yl)quinolin-8-yl)phenyl)...)
Show SMILES CC(C)(C#N)c1cc(-c2cccc(CN(C(=O)Nc3ccccc3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C34H30N4O3S/c1-34(2,23-35)27-20-26-11-8-18-36-32(26)31(21-27)25-10-7-9-24(19-25)22-38(33(39)37-28-12-5-4-6-13-28)29-14-16-30(17-15-29)42(3,40)41/h4-21H,22H2,1-3H3,(H,37,39)
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017311
PNG
(CHEMBL3287997)
Show SMILES Cc1cccc2nc(cn12)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1
Show InChI InChI=1S/C39H41FN6O5/c1-25-5-2-8-36-44-35(24-46(25)36)38(49)43-30-11-9-29(10-12-30)42-37(48)34-21-28(40)22-41-39(34)51-32-7-3-6-26(20-32)33-14-13-31(47)19-27(33)23-45-15-4-17-50-18-16-45/h2-3,5-8,13-14,19-22,24,29-30,47H,4,9-12,15-18,23H2,1H3,(H,42,48)(H,43,49)/t29-,30+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017336
PNG
(CHEMBL3288025)
Show SMILES C[C@H]1CN(Cc2cc(O)cc(c2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)n(C)n3)c2)C[C@@H](C)N1
Show InChI InChI=1S/C37H44FN7O4/c1-22-19-45(20-23(2)40-22)21-25-13-27(15-31(46)14-25)26-6-5-7-32(16-26)49-37-33(17-28(38)18-39-37)35(47)41-29-8-10-30(11-9-29)42-36(48)34-12-24(3)44(4)43-34/h5-7,12-18,22-23,29-30,40,46H,8-11,19-21H2,1-4H3,(H,41,47)(H,42,48)/t22-,23+,29-,30+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017306
PNG
(CHEMBL3287993)
Show SMILES CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)n2)c1
Show InChI InChI=1S/C34H36FN5O4/c1-21-6-4-9-31(37-21)33(43)39-26-12-10-25(11-13-26)38-32(42)30-18-24(35)19-36-34(30)44-28-8-5-7-22(17-28)29-15-14-27(41)16-23(29)20-40(2)3/h4-9,14-19,25-26,41H,10-13,20H2,1-3H3,(H,38,42)(H,39,43)/t25-,26+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017302
PNG
(CHEMBL3287989)
Show SMILES CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2csc(C)n2)c1
Show InChI InChI=1S/C32H34FN5O4S/c1-19-35-29(18-43-19)31(41)37-24-9-7-23(8-10-24)36-30(40)28-15-22(33)16-34-32(28)42-26-6-4-5-20(14-26)27-12-11-25(39)13-21(27)17-38(2)3/h4-6,11-16,18,23-24,39H,7-10,17H2,1-3H3,(H,36,40)(H,37,41)/t23-,24+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017327
PNG
(CHEMBL3288016)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3nc(C)cs3)c2)C[C@@H](C)N1
Show InChI InChI=1S/C36H41FN6O3S/c1-22-18-43(19-23(2)39-22)20-25-7-9-26(10-8-25)27-5-4-6-31(15-27)46-35-32(16-28(37)17-38-35)33(44)41-29-11-13-30(14-12-29)42-34(45)36-40-24(3)21-47-36/h4-10,15-17,21-23,29-30,39H,11-14,18-20H2,1-3H3,(H,41,44)(H,42,45)/t22-,23+,29-,30+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017333
PNG
(CHEMBL3288022)
Show SMILES C[C@H]1CN(Cc2ccc(cc2O)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)n(C)n3)c2)C[C@@H](C)N1
Show InChI InChI=1S/C37H44FN7O4/c1-22-19-45(20-23(2)40-22)21-27-9-8-26(16-34(27)46)25-6-5-7-31(15-25)49-37-32(17-28(38)18-39-37)35(47)41-29-10-12-30(13-11-29)42-36(48)33-14-24(3)44(4)43-33/h5-9,14-18,22-23,29-30,40,46H,10-13,19-21H2,1-4H3,(H,41,47)(H,42,48)/t22-,23+,29-,30+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017315
PNG
(CHEMBL3288001)
Show SMILES Cc1cccc(O)c1C(=O)N[C@@H]1CC[C@@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1
Show InChI InChI=1S/C38H41FN4O6/c1-24-5-2-8-34(45)35(24)37(47)42-29-11-9-28(10-12-29)41-36(46)33-21-27(39)22-40-38(33)49-31-7-3-6-25(20-31)32-14-13-30(44)19-26(32)23-43-15-4-17-48-18-16-43/h2-3,5-8,13-14,19-22,28-29,44-45H,4,9-12,15-18,23H2,1H3,(H,41,46)(H,42,47)/t28-,29+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017297
PNG
(CHEMBL3288009)
Show SMILES Cc1cccc2nc(cn12)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(CN2CCC(CC2)N2CCCC2)cc1
Show InChI InChI=1S/C43H48FN7O3/c1-29-6-4-9-40-48-39(28-51(29)40)42(53)47-35-16-14-34(15-17-35)46-41(52)38-25-33(44)26-45-43(38)54-37-8-5-7-32(24-37)31-12-10-30(11-13-31)27-49-22-18-36(19-23-49)50-20-2-3-21-50/h4-13,24-26,28,34-36H,2-3,14-23,27H2,1H3,(H,46,52)(H,47,53)/t34-,35+
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n/an/a 0.0398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017339
PNG
(CHEMBL3288028)
Show SMILES Cc1cc(nn1C)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(CCN2CCC(CC2)N2CCCC2)cc1
Show InChI InChI=1S/C41H50FN7O3/c1-28-24-38(46-47(28)2)40(51)45-34-14-12-33(13-15-34)44-39(50)37-26-32(42)27-43-41(37)52-36-7-5-6-31(25-36)30-10-8-29(9-11-30)16-21-48-22-17-35(18-23-48)49-19-3-4-20-49/h5-11,24-27,33-35H,3-4,12-23H2,1-2H3,(H,44,50)(H,45,51)/t33-,34+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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n/an/a 0.0410n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(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
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens)
BDBM50183805
PNG
(1-((3-(6-(2-cyanopropan-2-yl)quinolin-8-yl)phenyl)...)
Show SMILES CC(C)(C#N)c1cc(-c2cccc(CN(C(=O)Nc3ccccc3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C34H30N4O3S/c1-34(2,23-35)27-20-26-11-8-18-36-32(26)31(21-27)25-10-7-9-24(19-25)22-38(33(39)37-28-12-5-4-6-13-28)29-14-16-30(17-15-29)42(3,40)41/h4-21H,22H2,1-3H3,(H,37,39)
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4C


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017321
PNG
(CHEMBL3288006)
Show SMILES CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@H]2CC[C@H](CC2)NC(=O)c2cccc3[nH]cnc23)c1
Show InChI InChI=1S/C35H35FN6O4/c1-42(2)19-22-15-26(43)13-14-28(22)21-5-3-6-27(16-21)46-35-30(17-23(36)18-37-35)34(45)41-25-11-9-24(10-12-25)40-33(44)29-7-4-8-31-32(29)39-20-38-31/h3-8,13-18,20,24-25,43H,9-12,19H2,1-2H3,(H,38,39)(H,40,44)(H,41,45)/t24-,25+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017312
PNG
(CHEMBL3287998)
Show SMILES CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2cn3cc(F)ccc3n2)c1
Show InChI InChI=1S/C35H34F2N6O4/c1-42(2)18-22-14-27(44)11-12-29(22)21-4-3-5-28(15-21)47-35-30(16-24(37)17-38-35)33(45)39-25-7-9-26(10-8-25)40-34(46)31-20-43-19-23(36)6-13-32(43)41-31/h3-6,11-17,19-20,25-26,44H,7-10,18H2,1-2H3,(H,39,45)(H,40,46)/t25-,26+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017319
PNG
(CHEMBL3288005)
Show SMILES Cc1cc(C)n2ncc(C(=O)N[C@H]3CC[C@H](CC3)NC(=O)c3cc(F)cnc3Oc3cccc(c3)-c3ccc(O)cc3CN3CCOCC3)c2n1
Show InChI InChI=1S/C38H40FN7O5/c1-23-16-24(2)46-35(42-23)34(21-41-46)37(49)44-29-8-6-28(7-9-29)43-36(48)33-19-27(39)20-40-38(33)51-31-5-3-4-25(18-31)32-11-10-30(47)17-26(32)22-45-12-14-50-15-13-45/h3-5,10-11,16-21,28-29,47H,6-9,12-15,22H2,1-2H3,(H,43,48)(H,44,49)/t28-,29+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017310
PNG
(CHEMBL3287996)
Show SMILES CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2cn3c(C)cccc3n2)c1
Show InChI InChI=1S/C36H37FN6O4/c1-22-6-4-9-33-41-32(21-43(22)33)35(46)40-27-12-10-26(11-13-27)39-34(45)31-18-25(37)19-38-36(31)47-29-8-5-7-23(17-29)30-15-14-28(44)16-24(30)20-42(2)3/h4-9,14-19,21,26-27,44H,10-13,20H2,1-3H3,(H,39,45)(H,40,46)/t26-,27+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50274028
PNG
(CHEMBL499477 | N-(3,5-dichloropyridin-4-yl)-1-(3-(...)
Show SMILES Cc1noc(n1)C(=C\c1cccc(c1)-n1cc(C(=O)Nc2c(Cl)cncc2Cl)c(=O)c2cccnc12)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H22Cl2N6O5S/c1-18-37-32(45-39-18)24(20-8-10-22(11-9-20)46(2,43)44)14-19-5-3-6-21(13-19)40-17-25(29(41)23-7-4-12-36-30(23)40)31(42)38-28-26(33)15-35-16-27(28)34/h3-17H,1-2H3,(H,35,38,42)/b24-14+
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(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
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017305
PNG
(CHEMBL3287992)
Show SMILES OCc1nc(cs1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1
Show InChI InChI=1S/C34H36FN5O6S/c35-23-16-29(32(43)37-24-4-6-25(7-5-24)38-33(44)30-20-47-31(19-41)39-30)34(36-17-23)46-27-3-1-2-21(15-27)28-9-8-26(42)14-22(28)18-40-10-12-45-13-11-40/h1-3,8-9,14-17,20,24-25,41-42H,4-7,10-13,18-19H2,(H,37,43)(H,38,44)/t24-,25+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017299
PNG
(CHEMBL3288011)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cn4c(C)cccc4n3)c2)C[C@@H](C)N1
Show InChI InChI=1S/C40H44FN7O3/c1-25-21-47(22-26(2)43-25)23-28-10-12-29(13-11-28)30-7-5-8-34(18-30)51-40-35(19-31(41)20-42-40)38(49)44-32-14-16-33(17-15-32)45-39(50)36-24-48-27(3)6-4-9-37(48)46-36/h4-13,18-20,24-26,32-33,43H,14-17,21-23H2,1-3H3,(H,44,49)(H,45,50)/t25-,26+,32-,33+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50017334
PNG
(CHEMBL3288023)
Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)n(C)n3)c2)C[C@@H](C)N1
Show InChI InChI=1S/C37H44FN7O3/c1-23-20-45(21-24(2)40-23)22-26-7-5-8-27(16-26)28-9-6-10-32(17-28)48-37-33(18-29(38)19-39-37)35(46)41-30-11-13-31(14-12-30)42-36(47)34-15-25(3)44(4)43-34/h5-10,15-19,23-24,30-31,40H,11-14,20-22H2,1-4H3,(H,41,46)(H,42,47)/t23-,24+,30-,31+
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
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