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Compile Data Set for Download or QSAR

Found 283 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 8' AND taxid = 9606   
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 8


(Homo sapiens (human))
BDBM50150119
PNG
(CHEMBL3769414)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccc(cc3)-c3cccc(F)n3)c(Nc3ccccc3)c2C1=O
Show InChI InChI=1/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/s2
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3.00E+3n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE8A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50150264
PNG
(CHEMBL3769817)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccc(cc3)-c3ccccn3)c(Nc3ccccc3)c2C1=O
Show InChI InChI=1/C29H27N7O/c1-34-28(37)25-26(31-21-8-3-2-4-9-21)35(33-27(25)36-24-12-7-11-23(24)32-29(34)36)18-19-13-15-20(16-14-19)22-10-5-6-17-30-22/h2-6,8-10,13-17,23-24,31H,7,11-12,18H2,1H3/t23-,24+/s2
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8.20E+3n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE8A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50362036
PNG
(CHEMBL1939915)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCOC(C)C3)c2c1
Show InChI InChI=1S/C19H24N4O2/c1-11-7-14(24-4)8-15-16(10-23-5-6-25-12(2)9-23)17-13(3)21-22-19(17)20-18(11)15/h7-8,12H,5-6,9-10H2,1-4H3,(H,20,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE8A1 by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50362043
PNG
(CHEMBL1940053)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE8A1 by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50362046
PNG
(CHEMBL1940056)
Show SMILES Cc1n[nH]c2nc3c(C)cc(O)cc3c(CN3CCCOCC3)c12
Show InChI InChI=1S/C18H22N4O2/c1-11-8-13(23)9-14-15(10-22-4-3-6-24-7-5-22)16-12(2)20-21-18(16)19-17(11)14/h8-9,23H,3-7,10H2,1-2H3,(H,19,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE8A1 by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50362048
PNG
(CHEMBL1940058)
Show SMILES CC(C)Oc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O2/c1-13(2)27-16-10-14(3)20-17(11-16)18(12-25-6-5-8-26-9-7-25)19-15(4)23-24-21(19)22-20/h10-11,13H,5-9,12H2,1-4H3,(H,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE8A1 by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50362035
PNG
(CHEMBL1939914)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCOCC3)c2c1
Show InChI InChI=1S/C18H22N4O2/c1-11-8-13(23-3)9-14-15(10-22-4-6-24-7-5-22)16-12(2)20-21-18(16)19-17(11)14/h8-9H,4-7,10H2,1-3H3,(H,19,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE8A1 by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50362033
PNG
(CHEMBL1939912)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CC[C@@H](O)C3)c2c1
Show InChI InChI=1S/C18H22N4O2/c1-10-6-13(24-3)7-14-15(9-22-5-4-12(23)8-22)16-11(2)20-21-18(16)19-17(10)14/h6-7,12,23H,4-5,8-9H2,1-3H3,(H,19,20,21)/t12-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE8A1 by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50362047
PNG
(CHEMBL1940057)
Show SMILES COCCOc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O3/c1-14-11-16(28-10-9-26-3)12-17-18(13-25-5-4-7-27-8-6-25)19-15(2)23-24-21(19)22-20(14)17/h11-12H,4-10,13H2,1-3H3,(H,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE8A1 by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50150171
PNG
(CHEMBL3770470)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccc(cc3)-c3ccccc3)c(Nc3ccccc3)c2C1=O
Show InChI InChI=1/C30H28N6O/c1-34-29(37)26-27(31-23-11-6-3-7-12-23)35(33-28(26)36-25-14-8-13-24(25)32-30(34)36)19-20-15-17-22(18-16-20)21-9-4-2-5-10-21/h2-7,9-12,15-18,24-25,31H,8,13-14,19H2,1H3/t24-,25+/s2
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3.30E+4n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE8A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50150239
PNG
(CHEMBL3769461)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccc(cc3)C(F)(F)F)c(Nc3ccccc3)c2C1=O
Show InChI InChI=1/C25H23F3N6O/c1-32-23(35)20-21(29-17-6-3-2-4-7-17)33(14-15-10-12-16(13-11-15)25(26,27)28)31-22(20)34-19-9-5-8-18(19)30-24(32)34/h2-4,6-7,10-13,18-19,29H,5,8-9,14H2,1H3/t18-,19+/s2
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5.40E+4n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE8A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50150238
PNG
(CHEMBL3770107)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccc(nc3)C(F)(F)F)c(Nc3ccccc3)c2C1=O
Show InChI InChI=1/C24H22F3N7O/c1-32-22(35)19-20(29-15-6-3-2-4-7-15)33(13-14-10-11-18(28-12-14)24(25,26)27)31-21(19)34-17-9-5-8-16(17)30-23(32)34/h2-4,6-7,10-12,16-17,29H,5,8-9,13H2,1H3/t16-,17+/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full lenght human PDE8A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay


J Med Chem 59: 1149-64 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344013
PNG
(CHEMBL1780094 | trans-(3R,5S)-N-((6-aminopyridin-2...)
Show SMILES Cc1oc(nc1CN1C[C@@H](C[C@H](C1)c1ccccc1)C(=O)NCc1cccc(N)n1)-c1ccccc1
Show InChI InChI=1S/C29H31N5O2/c1-20-26(33-29(36-20)22-11-6-3-7-12-22)19-34-17-23(21-9-4-2-5-10-21)15-24(18-34)28(35)31-16-25-13-8-14-27(30)32-25/h2-14,23-24H,15-19H2,1H3,(H2,30,32)(H,31,35)/t23-,24-/m1/s1
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n/an/a 0.120n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344014
PNG
(CHEMBL1779987 | trans-(3R,5S)-1-((5-methyl-2-pheny...)
Show SMILES Cc1oc(nc1CN1C[C@@H](C[C@H](C1)c1ccccc1)C(=O)NCc1cccc(C)n1)-c1ccccc1
Show InChI InChI=1S/C30H32N4O2/c1-21-10-9-15-27(32-21)17-31-29(35)26-16-25(23-11-5-3-6-12-23)18-34(19-26)20-28-22(2)36-30(33-28)24-13-7-4-8-14-24/h3-15,25-26H,16-20H2,1-2H3,(H,31,35)/t25-,26-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50390333
PNG
(CHEMBL2070733)
Show SMILES Nc1nc(nc2n(C[C@H]3CN(Cc4nccs4)CCO3)nnc12)C1CC1
Show InChI InChI=1S/C16H20N8OS/c17-14-13-16(20-15(19-14)10-1-2-10)24(22-21-13)8-11-7-23(4-5-25-11)9-12-18-3-6-26-12/h3,6,10-11H,1-2,4-5,7-9H2,(H2,17,19,20)/t11-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344015
PNG
(CHEMBL1780096 | trans-(3S,5S)-5-ethyl-1-((5-methyl...)
Show SMILES CC[C@H]1C[C@@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(C)n1
Show InChI InChI=1S/C26H32N4O2/c1-4-20-13-22(25(31)27-14-23-12-8-9-18(2)28-23)16-30(15-20)17-24-19(3)32-26(29-24)21-10-6-5-7-11-21/h5-12,20,22H,4,13-17H2,1-3H3,(H,27,31)/t20-,22-/m0/s1
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n/an/a 0.955n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50129817
PNG
(CHEMBL3628685)
Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1
Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)
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n/an/a>1n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PDE8A1 using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay


Bioorg Med Chem 23: 7332-9 (2015)

More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50390334
PNG
(CHEMBL2070735)
Show SMILES Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1
Show InChI InChI=1S/C14H18N8OS/c1-9-17-13(15)12-14(18-9)22(20-19-12)7-10-6-21(3-4-23-10)8-11-16-2-5-24-11/h2,5,10H,3-4,6-8H2,1H3,(H2,15,17,18)/t10-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50390332
PNG
(CHEMBL2070732)
Show SMILES Nc1nc(nc2n(C[C@H]3CN(Cc4ccccn4)CCO3)nnc12)C(F)(F)F
Show InChI InChI=1S/C16H17F3N8O/c17-16(18,19)15-22-13(20)12-14(23-15)27(25-24-12)9-11-8-26(5-6-28-11)7-10-3-1-2-4-21-10/h1-4,11H,5-9H2,(H2,20,22,23)/t11-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50344016
PNG
(2-((5-methyl-2-phenyloxazol-4-yl)methyl)-N-((6-met...)
Show SMILES Cc1oc(nc1CN1CC(C(=O)NCc2cccc(C)n2)c2ccccc2C1)-c1ccccc1
Show InChI InChI=1S/C28H28N4O2/c1-19-9-8-13-23(30-19)15-29-27(33)25-17-32(16-22-12-6-7-14-24(22)25)18-26-20(2)34-28(31-26)21-10-4-3-5-11-21/h3-14,25H,15-18H2,1-2H3,(H,29,33)
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8A


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50344018
PNG
(CHEMBL1779984 | trans-(3R,5R)-5-ethyl-1-((5-methyl...)
Show SMILES CC[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(C)n1
Show InChI InChI=1S/C26H32N4O2/c1-4-20-13-22(25(31)27-14-23-12-8-9-18(2)28-23)16-30(15-20)17-24-19(3)32-26(29-24)21-10-6-5-7-11-21/h5-12,20,22H,4,13-17H2,1-3H3,(H,27,31)/t20-,22-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8A


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50344017
PNG
(1-((5-methyl-2-phenyloxazol-4-yl)methyl)-N-((6-met...)
Show SMILES Cc1oc(nc1CN1CCCC(C1)C(=O)NCc1cccc(C)n1)-c1ccccc1
Show InChI InChI=1S/C24H28N4O2/c1-17-8-6-12-21(26-17)14-25-23(29)20-11-7-13-28(15-20)16-22-18(2)30-24(27-22)19-9-4-3-5-10-19/h3-6,8-10,12,20H,7,11,13-16H2,1-2H3,(H,25,29)
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8A


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50390334
PNG
(CHEMBL2070735)
Show SMILES Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1
Show InChI InChI=1S/C14H18N8OS/c1-9-17-13(15)12-14(18-9)22(20-19-12)7-10-6-21(3-4-23-10)8-11-16-2-5-24-11/h2,5,10H,3-4,6-8H2,1H3,(H2,15,17,18)/t10-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8A


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344019
PNG
(CHEMBL1780085 | trans-(3R,5R)-5-(methoxymethyl)-1-...)
Show SMILES COC[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C25H35N3O4/c1-18-23(27-25(32-18)21-6-4-3-5-7-21)16-28-14-20(17-30-2)12-22(15-28)24(29)26-13-19-8-10-31-11-9-19/h3-7,19-20,22H,8-17H2,1-2H3,(H,26,29)/t20-,22-/m1/s1
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n/an/a 1.96n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344020
PNG
(CHEMBL1780116 | trans-(3R,5R)-5-ethyl-1-((5-methyl...)
Show SMILES CC[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NC[C@H]1CCCO1
Show InChI InChI=1S/C24H33N3O3/c1-3-18-12-20(23(28)25-13-21-10-7-11-29-21)15-27(14-18)16-22-17(2)30-24(26-22)19-8-5-4-6-9-19/h4-6,8-9,18,20-21H,3,7,10-16H2,1-2H3,(H,25,28)/t18-,20-,21-/m1/s1
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n/an/a 2.91n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344021
PNG
(CHEMBL1779988 | trans-(3R,5R)-5-(methoxymethyl)-1-...)
Show SMILES COC[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(C)n1
Show InChI InChI=1S/C26H32N4O3/c1-18-8-7-11-23(28-18)13-27-25(31)22-12-20(17-32-3)14-30(15-22)16-24-19(2)33-26(29-24)21-9-5-4-6-10-21/h4-11,20,22H,12-17H2,1-3H3,(H,27,31)/t20-,22-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50390373
PNG
(CHEMBL2070914)
Show SMILES Nc1nc(nc2n(CC3OCCc4ccccc34)nnc12)C1CC1
Show InChI InChI=1S/C17H18N6O/c18-15-14-17(20-16(19-15)11-5-6-11)23(22-21-14)9-13-12-4-2-1-3-10(12)7-8-24-13/h1-4,11,13H,5-9H2,(H2,18,19,20)
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n/an/a 3.63n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344022
PNG
(CHEMBL1780100 | trans-(3S,5S)-5-(3-methyl-1,2,4-ox...)
Show SMILES Cc1noc(n1)[C@H]1C[C@@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(C)n1
Show InChI InChI=1S/C27H30N6O3/c1-17-8-7-11-23(29-17)13-28-25(34)21-12-22(27-30-19(3)32-36-27)15-33(14-21)16-24-18(2)35-26(31-24)20-9-5-4-6-10-20/h4-11,21-22H,12-16H2,1-3H3,(H,28,34)/t21-,22-/m0/s1
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n/an/a 3.86n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344023
PNG
(CHEMBL1780089 | trans-(3R,5R)-5-(3-methyl-1,2,4-ox...)
Show SMILES Cc1noc(n1)[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(C)n1
Show InChI InChI=1S/C27H30N6O3/c1-17-8-7-11-23(29-17)13-28-25(34)21-12-22(27-30-19(3)32-36-27)15-33(14-21)16-24-18(2)35-26(31-24)20-9-5-4-6-10-20/h4-11,21-22H,12-16H2,1-3H3,(H,28,34)/t21-,22-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50390335
PNG
(CHEMBL2070736)
Show SMILES CCc1csc(CN2CCO[C@@H](Cn3nnc4c(N)nc(C)nc34)C2)n1
Show InChI InChI=1S/C16H22N8OS/c1-3-11-9-26-13(20-11)8-23-4-5-25-12(6-23)7-24-16-14(21-22-24)15(17)18-10(2)19-16/h9,12H,3-8H2,1-2H3,(H2,17,18,19)/t12-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344024
PNG
(CHEMBL1780097 | trans-(3S,5S)-5-(methoxymethyl)-1-...)
Show SMILES COC[C@H]1C[C@@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(C)n1
Show InChI InChI=1S/C26H32N4O3/c1-18-8-7-11-23(28-18)13-27-25(31)22-12-20(17-32-3)14-30(15-22)16-24-19(2)33-26(29-24)21-9-5-4-6-10-21/h4-11,20,22H,12-17H2,1-3H3,(H,27,31)/t20-,22-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344025
PNG
(CHEMBL1780105 | trans-(3R,5R)-5-(methoxymethyl)-1-...)
Show SMILES COC[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NC[C@H]1CCCO1
Show InChI InChI=1S/C24H33N3O4/c1-17-22(26-24(31-17)19-7-4-3-5-8-19)15-27-13-18(16-29-2)11-20(14-27)23(28)25-12-21-9-6-10-30-21/h3-5,7-8,18,20-21H,6,9-16H2,1-2H3,(H,25,28)/t18-,20-,21-/m1/s1
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n/an/a 4.36n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344026
PNG
(CHEMBL1780111 | trans-(3R,5R)-N-((6-aminopyridin-2...)
Show SMILES CC[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(N)n1
Show InChI InChI=1S/C25H31N5O2/c1-3-18-12-20(24(31)27-13-21-10-7-11-23(26)28-21)15-30(14-18)16-22-17(2)32-25(29-22)19-8-5-4-6-9-19/h4-11,18,20H,3,12-16H2,1-2H3,(H2,26,28)(H,27,31)/t18-,20-/m1/s1
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n/an/a 4.42n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344016
PNG
(2-((5-methyl-2-phenyloxazol-4-yl)methyl)-N-((6-met...)
Show SMILES Cc1oc(nc1CN1CC(C(=O)NCc2cccc(C)n2)c2ccccc2C1)-c1ccccc1
Show InChI InChI=1S/C28H28N4O2/c1-19-9-8-13-23(30-19)15-29-27(33)25-17-32(16-22-12-6-7-14-24(22)25)18-26-20(2)34-28(31-26)21-10-4-3-5-11-21/h3-14,25H,15-18H2,1-2H3,(H,29,33)
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344018
PNG
(CHEMBL1779984 | trans-(3R,5R)-5-ethyl-1-((5-methyl...)
Show SMILES CC[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(C)n1
Show InChI InChI=1S/C26H32N4O2/c1-4-20-13-22(25(31)27-14-23-12-8-9-18(2)28-23)16-30(15-20)17-24-19(3)32-26(29-24)21-10-6-5-7-11-21/h5-12,20,22H,4,13-17H2,1-3H3,(H,27,31)/t20-,22-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344027
PNG
(CHEMBL1779985 | trans-(3R,5R)-1-((5-methyl-2-pheny...)
Show SMILES CCC[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(C)n1
Show InChI InChI=1S/C27H34N4O2/c1-4-9-21-14-23(26(32)28-15-24-13-8-10-19(2)29-24)17-31(16-21)18-25-20(3)33-27(30-25)22-11-6-5-7-12-22/h5-8,10-13,21,23H,4,9,14-18H2,1-3H3,(H,28,32)/t21-,23-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50390366
PNG
(CHEMBL2070935)
Show SMILES CC(C)(C)c1cc(Cn2nnc3c(N)nc(nc23)C2CC2)[nH]n1
Show InChI InChI=1S/C15H20N8/c1-15(2,3)10-6-9(19-20-10)7-23-14-11(21-22-23)12(16)17-13(18-14)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,19,20)(H2,16,17,18)
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n/an/a 6.79n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50390324
PNG
(CHEMBL2070604)
Show SMILES Nc1nc(nc2n(Cc3cc(n[nH]3)C3CC3)nnc12)C1CC1
Show InChI InChI=1S/C14H16N8/c15-12-11-14(17-13(16-12)8-3-4-8)22(21-20-11)6-9-5-10(19-18-9)7-1-2-7/h5,7-8H,1-4,6H2,(H,18,19)(H2,15,16,17)
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n/an/a 6.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344028
PNG
(CHEMBL1779990 | trans-(3R,5R)-1-((5-methyl-2-pheny...)
Show SMILES CC(=O)O[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(C)n1
Show InChI InChI=1S/C26H30N4O4/c1-17-8-7-11-22(28-17)13-27-25(32)21-12-23(34-19(3)31)15-30(14-21)16-24-18(2)33-26(29-24)20-9-5-4-6-10-20/h4-11,21,23H,12-16H2,1-3H3,(H,27,32)/t21-,23-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344029
PNG
(CHEMBL1780084 | trans-(3R,5R)-5-ethyl-1-((5-methyl...)
Show SMILES CC[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C25H35N3O3/c1-3-19-13-22(24(29)26-14-20-9-11-30-12-10-20)16-28(15-19)17-23-18(2)31-25(27-23)21-7-5-4-6-8-21/h4-8,19-20,22H,3,9-17H2,1-2H3,(H,26,29)/t19-,22-/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50390313
PNG
(CHEMBL2070595)
Show SMILES Nc1nc(nc2n(CC3CCCCO3)nnc12)C1CC1
Show InChI InChI=1S/C13H18N6O/c14-11-10-13(16-12(15-11)8-4-5-8)19(18-17-10)7-9-3-1-2-6-20-9/h8-9H,1-7H2,(H2,14,15,16)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50390352
PNG
(CHEMBL2070901)
Show SMILES Nc1nc(CSc2ccccc2)nc2n(CC3CCCCO3)nnc12
Show InChI InChI=1S/C17H20N6OS/c18-16-15-17(23(22-21-15)10-12-6-4-5-9-24-12)20-14(19-16)11-25-13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2,(H2,18,19,20)
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n/an/a 12.1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344030
PNG
(CHEMBL1780087 | trans-(3R,5R)-5-(methoxymethyl)-1-...)
Show SMILES COC[C@@H]1C[C@H](CN(Cc2[nH]c(nc2C)-c2ccncn2)C1)C(=O)NCC1CCOCC1
Show InChI InChI=1S/C23H34N6O3/c1-16-21(28-22(27-16)20-3-6-24-15-26-20)13-29-11-18(14-31-2)9-19(12-29)23(30)25-10-17-4-7-32-8-5-17/h3,6,15,17-19H,4-5,7-14H2,1-2H3,(H,25,30)(H,27,28)/t18-,19-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50390367
PNG
(CHEMBL2070907)
Show SMILES Cc1nc(cs1)-c1nc(N)c2nnn(CC3CCCCO3)c2n1
Show InChI InChI=1S/C14H17N7OS/c1-8-16-10(7-23-8)13-17-12(15)11-14(18-13)21(20-19-11)6-9-4-2-3-5-22-9/h7,9H,2-6H2,1H3,(H2,15,17,18)
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n/an/a 13.1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50390309
PNG
(CHEMBL2070591)
Show SMILES Nc1nc(nc2n(CC3CCCCO3)nnc12)C(F)(F)F
Show InChI InChI=1S/C11H13F3N6O/c12-11(13,14)10-16-8(15)7-9(17-10)20(19-18-7)5-6-3-1-2-4-21-6/h6H,1-5H2,(H2,15,16,17)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50390308
PNG
(CHEMBL2070592)
Show SMILES Nc1nc(nc2n(C[C@H]3CCCO3)nnc12)C(F)(F)F
Show InChI InChI=1S/C10H11F3N6O/c11-10(12,13)9-15-7(14)6-8(16-9)19(18-17-6)4-5-2-1-3-20-5/h5H,1-4H2,(H2,14,15,16)/t5-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM135584
PNG
(US8846654, 294)
Show SMILES FCC(CF)Oc1ccc2n(C3CCN(CC3)C=O)c(=O)n(Cc3ccc(-c4ccccc4)c(c3)C#N)c(=O)c2c1
Show InChI InChI=1S/C31H28F2N4O4/c32-16-26(17-33)41-25-7-9-29-28(15-25)30(39)36(31(40)37(29)24-10-12-35(20-38)13-11-24)19-21-6-8-27(23(14-21)18-34)22-4-2-1-3-5-22/h1-9,14-15,20,24,26H,10-13,16-17,19H2
PDB
MMDB

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US Patent
n/an/a 15n/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
By using for PDE8 an enzymatic assay equivalent to that described for PDE7. PDE7 Enzymatic Assay: The assay is carried out in 1.5 ml Eppendorf tube...


US Patent US8846654 (2014)

More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344031
PNG
(CHEMBL1779986 | trans-(3R,5R)-5-butyl-1-((5-methyl...)
Show SMILES CCCC[C@@H]1C[C@H](CN(Cc2nc(oc2C)-c2ccccc2)C1)C(=O)NCc1cccc(C)n1
Show InChI InChI=1S/C28H36N4O2/c1-4-5-11-22-15-24(27(33)29-16-25-14-9-10-20(2)30-25)18-32(17-22)19-26-21(3)34-28(31-26)23-12-7-6-8-13-23/h6-10,12-14,22,24H,4-5,11,15-19H2,1-3H3,(H,29,33)/t22-,24-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50344032
PNG
(CHEMBL1780086 | trans-(3R,5R)-N-((6-aminopyridin-2...)
Show SMILES CC[C@@H]1C[C@H](CN(Cc2nc(oc2C)N2CCOCC2)C1)C(=O)NCc1cccc(N)n1
Show InChI InChI=1S/C23H34N6O3/c1-3-17-11-18(22(30)25-12-19-5-4-6-21(24)26-19)14-28(13-17)15-20-16(2)32-23(27-20)29-7-9-31-10-8-29/h4-6,17-18H,3,7-15H2,1-2H3,(H2,24,26)(H,25,30)/t17-,18-/m1/s1
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n/an/a 16.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens)
BDBM50390371
PNG
(CHEMBL2070912)
Show SMILES Nc1nc(COc2cccc(F)c2)nc2n(CC3CCCO3)nnc12
Show InChI InChI=1S/C16H17FN6O2/c17-10-3-1-4-11(7-10)25-9-13-19-15(18)14-16(20-13)23(22-21-14)8-12-5-2-6-24-12/h1,3-4,7,12H,2,5-6,8-9H2,(H2,18,19,20)
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n/an/a 17.1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Citation and Details
More data for this
Ligand-Target Pair
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