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Compile Data Set for Download or QSAR

Found 900 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 4D (PDE4D)'   
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 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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n/an/a 0.0200n/an/an/an/an/an/a



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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n/an/a 0.0200n/an/an/an/an/an/a



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))
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 4D (PDE4D)


(Homo sapiens (Human))
BDBM50183792
PNG
(1-((3-(6-(2-cyanopropan-2-yl)quinolin-8-yl)phenyl)...)
Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)C#N)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H32N4O3S/c1-21(2)34-30(36)35(26-11-13-27(14-12-26)39(5,37)38)19-22-8-6-9-23(16-22)28-18-25(31(3,4)20-32)17-24-10-7-15-33-29(24)28/h6-18,21H,19H2,1-5H3,(H,34,36)
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n/an/a 0.100n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4D


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


(Homo sapiens (Human))
BDBM50183794
PNG
(3-isopropyl-1-(4-(methylsulfonyl)phenyl)-1-((3-(6-...)
Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H35N3O5S2/c1-21(2)33-30(35)34(26-12-14-27(15-13-26)40(5,36)37)20-22-9-7-10-23(17-22)28-19-25(31(3,4)41(6,38)39)18-24-11-8-16-32-29(24)28/h7-19,21H,20H2,1-6H3,(H,33,35)
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4D


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


(Homo sapiens (Human))
BDBM50353703
PNG
(CHEMBL1830646)
Show SMILES CC(C)Nc1nc2oc3c(NCCCN4CCCC4=O)ncnc3c2c2CC(C)(C)CCc12
Show InChI InChI=1S/C25H34N6O2/c1-15(2)29-22-16-8-9-25(3,4)13-17(16)19-20-21(33-24(19)30-22)23(28-14-27-20)26-10-6-12-31-11-5-7-18(31)32/h14-15H,5-13H2,1-4H3,(H,29,30)(H,26,27,28)
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n/an/a 0.100n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 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 4D (PDE4D)


(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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n/an/a 0.100n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4D


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


(Homo sapiens (Human))
BDBM50183803
PNG
(CHEMBL206968 | N-((3-(6-(2-cyanopropan-2-yl)quinol...)
Show SMILES Cc1cc(no1)C(=O)N(Cc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)C#N)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H28N4O4S/c1-21-15-29(35-40-21)31(37)36(26-10-12-27(13-11-26)41(4,38)39)19-22-7-5-8-23(16-22)28-18-25(32(2,3)20-33)17-24-9-6-14-34-30(24)28/h5-18H,19H2,1-4H3
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n/an/a 0.100n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4D


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


(Homo sapiens (Human))
BDBM50174025
PNG
(6-isopropyl-8-(3-(2-(4-(methylsulfonyl)phenyl)-2-(...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3nccs3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C30H26N2O2S2/c1-20(2)25-18-24-8-5-13-31-29(24)27(19-25)23-7-4-6-21(16-23)17-28(30-32-14-15-35-30)22-9-11-26(12-10-22)36(3,33)34/h4-20H,1-3H3/b28-17+
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n/an/a 0.190n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


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


(Homo sapiens (Human))
BDBM50174030
PNG
((E)-6-isopropyl-8-(3-(2-(3-methyl-1,2,4-oxadiazol-...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3nc(C)no3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C30H27N3O3S/c1-19(2)25-17-24-9-6-14-31-29(24)27(18-25)23-8-5-7-21(15-23)16-28(30-32-20(3)33-36-30)22-10-12-26(13-11-22)37(4,34)35/h5-19H,1-4H3/b28-16+
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n/an/a 0.200n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


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


(Homo sapiens (Human))
BDBM50325788
PNG
(2-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES OC(=O)Cc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C25H19F2NO4/c26-25(27)32-21-5-1-3-18(14-21)22-12-17(11-19-4-2-10-28-24(19)22)15-31-20-8-6-16(7-9-20)13-23(29)30/h1-12,14,25H,13,15H2,(H,29,30)
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n/an/a 0.200n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


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


(Homo sapiens (Human))
BDBM50174028
PNG
((E)-6-isopropyl-8-(3-(2-(5-methylpyridin-2-yl)-2-(...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(/c3ccc(cc3)S(C)(=O)=O)c3ccc(C)cn3)c2)c2ncccc2c1
Show InChI InChI=1S/C33H30N2O2S/c1-22(2)28-19-27-9-6-16-34-33(27)31(20-28)26-8-5-7-24(17-26)18-30(32-15-10-23(3)21-35-32)25-11-13-29(14-12-25)38(4,36)37/h5-22H,1-4H3/b30-18+
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n/an/a 0.200n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


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


(Homo sapiens (Human))
BDBM14774
PNG
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
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n/an/a 0.270n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 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
3D
3D Structure (crystal)
Phosphodiesterase 4D (PDE4D)


(Homo sapiens (Human))
BDBM50183791
PNG
(CHEMBL209295 | isopropyl (3-(6-(2-cyanopropan-2-yl...)
Show SMILES CC(C)OC(=O)N(Cc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)C#N)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H31N3O4S/c1-21(2)38-30(35)34(26-11-13-27(14-12-26)39(5,36)37)19-22-8-6-9-23(16-22)28-18-25(31(3,4)20-32)17-24-10-7-15-33-29(24)28/h6-18,21H,19H2,1-5H3
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n/an/a 0.300n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4D


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


(Homo sapiens (Human))
BDBM50183808
PNG
(CHEMBL383225 | N-((3-(6-(2-cyanopropan-2-yl)quinol...)
Show SMILES CC(C)(C#N)c1cc(-c2cccc(CN(C(=O)c3ccccc3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C34H29N3O3S/c1-34(2,23-35)28-20-27-13-8-18-36-32(27)31(21-28)26-12-7-9-24(19-26)22-37(33(38)25-10-5-4-6-11-25)29-14-16-30(17-15-29)41(3,39)40/h4-21H,22H2,1-3H3
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n/an/a 0.300n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4D


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


(Homo sapiens (Human))
BDBM50304417
PNG
(CHEMBL593656 | CHEMBL593877 | cis-(+/-)-4-(3,4-Dim...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCOCC3)cc2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C28H33N3O4/c1-33-25-12-11-22(17-26(25)34-2)27-23-5-3-4-6-24(23)28(32)31(29-27)19-21-9-7-20(8-10-21)18-30-13-15-35-16-14-30/h3-4,7-12,17,23-24H,5-6,13-16,18-19H2,1-2H3/t23-,24+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


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


(Homo sapiens (Human))
BDBM50232731
PNG
(2-{3'-[6-(1-methanesulfonyl-1-methyl-ethyl)-quinol...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)-c2ccc(cc2)C2CC2C(O)=O)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C29H27NO4S/c1-29(2,35(3,33)34)23-15-22-8-5-13-30-27(22)25(16-23)21-7-4-6-20(14-21)18-9-11-19(12-10-18)24-17-26(24)28(31)32/h4-16,24,26H,17H2,1-3H3,(H,31,32)
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n/an/a 0.320n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


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


(Homo sapiens (Human))
BDBM50347344
PNG
(CHEMBL1801156)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NCC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C29H25N3O4/c33-26-22-5-2-12-30-27(22)32(16-25(26)28(34)31-15-17-6-7-17)21-4-1-3-20(13-21)18-8-10-19(11-9-18)23-14-24(23)29(35)36/h1-5,8-13,16-17,23-24H,6-7,14-15H2,(H,31,34)(H,35,36)
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n/an/a 0.350n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


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


(Homo sapiens (Human))
BDBM50174020
PNG
((S)-(+)-3-{2-[(3-Cyclopropyloxy-4-difluromethoxy)-...)
Show SMILES OC(c1ncc(s1)[C@@H](Cc1ccc[n+]([O-])c1)c1ccc(OC(F)F)c(OC2CC2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H18F8N2O4S/c24-20(25)37-16-6-3-13(9-17(16)36-14-4-5-14)15(8-12-2-1-7-33(35)11-12)18-10-32-19(38-18)21(34,22(26,27)28)23(29,30)31/h1-3,6-7,9-11,14-15,20,34H,4-5,8H2/t15-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


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


(Homo sapiens (Human))
BDBM50325790
PNG
(CHEMBL1224717 | methyl 2-(4-((8-(3-methoxyphenyl)q...)
Show SMILES COC(=O)Cc1ccc(OCc2cc(-c3cccc(OC)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C26H23NO4/c1-29-23-7-3-5-20(16-23)24-14-19(13-21-6-4-12-27-26(21)24)17-31-22-10-8-18(9-11-22)15-25(28)30-2/h3-14,16H,15,17H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


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


(Homo sapiens (Human))
BDBM14359
PNG
((+)-1 | (S)-(+)-3-{2-[(3-Cyclopropyloxy-4-diflurom...)
Show SMILES OC(c1cnc(s1)[C@@H](Cc1ccc[n+]([O-])c1)c1ccc(OC(F)F)c(OC2CC2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H18F8N2O4S/c24-20(25)37-16-6-3-13(9-17(16)36-14-4-5-14)15(8-12-2-1-7-33(35)11-12)19-32-10-18(38-19)21(34,22(26,27)28)23(29,30)31/h1-3,6-7,9-11,14-15,20,34H,4-5,8H2/t15-/m0/s1
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n/an/a 0.400n/an/an/an/a7.522



University of North Carolina at Chapel Hill



Assay Description
PDE4 catalytic activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using PDE-SPA kit (Amersham International). [3H]-AMP was c...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4D (PDE4D)


(Homo sapiens (Human))
BDBM50353700
PNG
(CHEMBL1830643)
Show SMILES CC(C)Nc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2CC(C)(C)CCc12
Show InChI InChI=1S/C24H34N6O2/c1-15(2)28-21-16-5-6-24(3,4)13-17(16)18-19-20(32-23(18)29-21)22(27-14-26-19)25-7-8-30-9-11-31-12-10-30/h14-15H,5-13H2,1-4H3,(H,28,29)(H,25,26,27)
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n/an/a 0.400n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 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 4D (PDE4D)


(Homo sapiens (Human))
BDBM50304410
PNG
(CHEMBL594108 | cis-2-[(E)-4-(1H-Imidazol-1-yl)but-...)
Show SMILES COc1ccc(cc1OC)C1=NN(C\C=C\Cn2ccnc2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C23H26N4O3/c1-29-20-10-9-17(15-21(20)30-2)22-18-7-3-4-8-19(18)23(28)27(25-22)13-6-5-12-26-14-11-24-16-26/h3-6,9-11,14-16,18-19H,7-8,12-13H2,1-2H3/b6-5+/t18-,19+/m0/s1
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Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


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


(Homo sapiens (Human))
BDBM50347349
PNG
(CHEMBL1801161)
Show SMILES OC(=O)[C@H]1C[C@@H]1c1ccc(cc1F)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C28H22FN3O4/c29-24-12-16(6-9-19(24)21-13-22(21)28(35)36)15-3-1-4-18(11-15)32-14-23(27(34)31-17-7-8-17)25(33)20-5-2-10-30-26(20)32/h1-6,9-12,14,17,21-22H,7-8,13H2,(H,31,34)(H,35,36)/t21-,22+/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


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


(Homo sapiens (Human))
BDBM50183804
PNG
(4-(2-hydroxypropan-2-yl)-N-(4-(methylsulfonyl)phen...)
Show SMILES CC(N(C(=O)c1ccc(cc1)C(C)(C)O)c1ccc(cc1)S(C)(=O)=O)c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C38H40N2O6S2/c1-25(40(32-17-19-33(20-18-32)47(6,43)44)36(41)26-13-15-30(16-14-26)37(2,3)42)27-10-8-11-28(22-27)34-24-31(38(4,5)48(7,45)46)23-29-12-9-21-39-35(29)34/h8-25,42H,1-7H3
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4D


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


(Homo sapiens (Human))
BDBM50353706
PNG
(CHEMBL1828652)
Show SMILES CC(C)Nc1nc2oc3c(NCc4cccnc4)ncnc3c2c2CC(C)(C)CCc12
Show InChI InChI=1S/C24H28N6O/c1-14(2)29-21-16-7-8-24(3,4)10-17(16)18-19-20(31-23(18)30-21)22(28-13-27-19)26-12-15-6-5-9-25-11-15/h5-6,9,11,13-14H,7-8,10,12H2,1-4H3,(H,29,30)(H,26,27,28)
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Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 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 4D (PDE4D)


(Homo sapiens (Human))
BDBM50174013
PNG
((E)-3-(3-(6-isopropylquinolin-8-yl)phenyl)-2-(4-(m...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\C(O)=O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C28H25NO4S/c1-18(2)23-16-22-8-5-13-29-27(22)25(17-23)21-7-4-6-19(14-21)15-26(28(30)31)20-9-11-24(12-10-20)34(3,32)33/h4-18H,1-3H3,(H,30,31)/b26-15+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


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


(Homo sapiens (Human))
BDBM50174031
PNG
((Z)-2-(4-(2-(3-(6-isopropylquinolin-8-yl)phenyl)-1...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3ccc(cc3)C(C)(C)O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C36H35NO3S/c1-24(2)30-22-29-10-7-19-37-35(29)34(23-30)28-9-6-8-25(20-28)21-33(26-11-15-31(16-12-26)36(3,4)38)27-13-17-32(18-14-27)41(5,39)40/h6-24,38H,1-5H3/b33-21-
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


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


(Homo sapiens (Human))
BDBM50183795
PNG
(2-(8-(3-(((4-fluorobenzyl)(4-(methylsulfonyl)pheny...)
Show SMILES CC(C)(C#N)c1cc(-c2cccc(CN(Cc3ccc(F)cc3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C34H30FN3O2S/c1-34(2,23-36)28-19-27-8-5-17-37-33(27)32(20-28)26-7-4-6-25(18-26)22-38(21-24-9-11-29(35)12-10-24)30-13-15-31(16-14-30)41(3,39)40/h4-20H,21-22H2,1-3H3
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4D


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


(Homo sapiens (Human))
BDBM50174021
PNG
((Z)-3-(3-(6-(2-cyanopropan-2-yl)quinolin-8-yl)phen...)
Show SMILES CC(C)NC(=O)C(=C/c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)C#N)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H31N3O3S/c1-21(2)35-31(36)29(23-11-13-27(14-12-23)39(5,37)38)17-22-8-6-9-24(16-22)28-19-26(32(3,4)20-33)18-25-10-7-15-34-30(25)28/h6-19,21H,1-5H3,(H,35,36)/b29-17-
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


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


(Homo sapiens (Human))
BDBM50347343
PNG
(CHEMBL1801155)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NCC(F)(F)F)c(=O)c2cccnc12
Show InChI InChI=1S/C27H20F3N3O4/c28-27(29,30)14-32-25(35)22-13-33(24-19(23(22)34)5-2-10-31-24)18-4-1-3-17(11-18)15-6-8-16(9-7-15)20-12-21(20)26(36)37/h1-11,13,20-21H,12,14H2,(H,32,35)(H,36,37)
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n/an/a 0.510n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


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


(Homo sapiens (Human))
BDBM50347345
PNG
(CHEMBL1801157)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CCC2)c(=O)c2cccnc12
Show InChI InChI=1S/C29H25N3O4/c33-26-22-8-3-13-30-27(22)32(16-25(26)28(34)31-20-5-2-6-20)21-7-1-4-19(14-21)17-9-11-18(12-10-17)23-15-24(23)29(35)36/h1,3-4,7-14,16,20,23-24H,2,5-6,15H2,(H,31,34)(H,35,36)
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n/an/a 0.520n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


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


(Homo sapiens (Human))
BDBM50347348
PNG
(CHEMBL1801160)
Show SMILES OC(=O)[C@@H]1C[C@H]1c1ccc(cc1F)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C28H22FN3O4/c29-24-12-16(6-9-19(24)21-13-22(21)28(35)36)15-3-1-4-18(11-15)32-14-23(27(34)31-17-7-8-17)25(33)20-5-2-10-30-26(20)32/h1-6,9-12,14,17,21-22H,7-8,13H2,(H,31,34)(H,35,36)/t21-,22+/m0/s1
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n/an/a 0.530n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


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


(Homo sapiens (Human))
BDBM50232731
PNG
(2-{3'-[6-(1-methanesulfonyl-1-methyl-ethyl)-quinol...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)-c2ccc(cc2)C2CC2C(O)=O)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C29H27NO4S/c1-29(2,35(3,33)34)23-15-22-8-5-13-30-27(22)25(16-23)21-7-4-6-20(14-21)18-9-11-19(12-10-18)24-17-26(24)28(31)32/h4-16,24,26H,17H2,1-3H3,(H,31,32)
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n/an/a 0.540n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


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


(Homo sapiens (Human))
BDBM50347335
PNG
(CHEMBL1801068)
Show SMILES OC(=O)C1CC1c1cccc(c1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C28H23N3O4/c32-25-21-8-3-11-29-26(21)31(15-24(25)27(33)30-19-9-10-19)20-7-2-5-17(13-20)16-4-1-6-18(12-16)22-14-23(22)28(34)35/h1-8,11-13,15,19,22-23H,9-10,14H2,(H,30,33)(H,34,35)
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n/an/a 0.540n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


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


(Homo sapiens (Human))
BDBM50347339
PNG
(CHEMBL1801151)
Show SMILES O=C(NC1CC1)c1cn(-c2cccc(c2)-c2ccc(cc2)C2CC2c2nnn[nH]2)c2ncccc2c1=O
Show InChI InChI=1S/C28H23N7O2/c36-25-21-5-2-12-29-27(21)35(15-24(25)28(37)30-19-10-11-19)20-4-1-3-18(13-20)16-6-8-17(9-7-16)22-14-23(22)26-31-33-34-32-26/h1-9,12-13,15,19,22-23H,10-11,14H2,(H,30,37)(H,31,32,33,34)
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n/an/a 0.550n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


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


(Homo sapiens (Human))
BDBM50347334
PNG
(CHEMBL1801067)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C28H23N3O4/c32-25-21-5-2-12-29-26(21)31(15-24(25)27(33)30-19-10-11-19)20-4-1-3-18(13-20)16-6-8-17(9-7-16)22-14-23(22)28(34)35/h1-9,12-13,15,19,22-23H,10-11,14H2,(H,30,33)(H,34,35)
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n/an/a 0.570n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


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


(Homo sapiens (Human))
BDBM50347342
PNG
(CHEMBL1801154)
Show SMILES CC1(CC1)NC(=O)c1cn(-c2cccc(c2)-c2ccc(cc2)C2CC2C(O)=O)c2ncccc2c1=O
Show InChI InChI=1S/C29H25N3O4/c1-29(11-12-29)31-27(34)24-16-32(26-21(25(24)33)6-3-13-30-26)20-5-2-4-19(14-20)17-7-9-18(10-8-17)22-15-23(22)28(35)36/h2-10,13-14,16,22-23H,11-12,15H2,1H3,(H,31,34)(H,35,36)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


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


(Homo sapiens (Human))
BDBM50174023
PNG
((E)-6-isopropyl-8-(3-(2-(3-methyl-1,2,4-oxadiazol-...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3nc(C)no3)c3ccccn3)c2)c2ncccc2c1
Show InChI InChI=1S/C28H24N4O/c1-18(2)23-16-22-10-7-13-30-27(22)24(17-23)21-9-6-8-20(14-21)15-25(26-11-4-5-12-29-26)28-31-19(3)32-33-28/h4-18H,1-3H3/b25-15+
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n/an/a 0.600n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


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


(Homo sapiens (Human))
BDBM50174018
PNG
((E)-N-isopropyl-3-(3-(6-isopropylquinolin-8-yl)phe...)
Show SMILES CC(C)NC(=O)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)C)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H32N2O3S/c1-20(2)26-18-25-10-7-15-32-30(25)28(19-26)24-9-6-8-22(16-24)17-29(31(34)33-21(3)4)23-11-13-27(14-12-23)37(5,35)36/h6-21H,1-5H3,(H,33,34)/b29-17+
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n/an/a 0.600n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


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


(Homo sapiens (Human))
BDBM50325786
PNG
(4-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES CC(C)(O)CCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C28H27F2NO3/c1-28(2,32)13-12-19-8-10-23(11-9-19)33-18-20-15-22-6-4-14-31-26(22)25(16-20)21-5-3-7-24(17-21)34-27(29)30/h3-11,14-17,27,32H,12-13,18H2,1-2H3
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n/an/a 0.600n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


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


(Homo sapiens (Human))
BDBM50427452
PNG
(CHEMBL2326941)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1
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n/an/a 0.631n/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant PDE4D3 using [3H]-cAMP as substrate by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)

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


(Homo sapiens (Human))
BDBM50347347
PNG
(CHEMBL1801159)
Show SMILES OC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C28H23N3O4/c32-25-21-5-2-12-29-26(21)31(15-24(25)27(33)30-19-10-11-19)20-4-1-3-18(13-20)16-6-8-17(9-7-16)22-14-23(22)28(34)35/h1-9,12-13,15,19,22-23H,10-11,14H2,(H,30,33)(H,34,35)/t22-,23+/m1/s1
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n/an/a 0.660n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


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


(Homo sapiens (Human))
BDBM50183797
PNG
(CHEMBL207996 | N-(3,5-dichloropyridin-4-yl)-3-(6-(...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)C(=O)Nc2c(Cl)cncc2Cl)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C25H21Cl2N3O3S/c1-25(2,34(3,32)33)18-11-16-8-5-9-29-22(16)19(12-18)15-6-4-7-17(10-15)24(31)30-23-20(26)13-28-14-21(23)27/h4-14H,1-3H3,(H,28,30,31)
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n/an/a 0.700n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4D


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


(Homo sapiens (Human))
BDBM50183799
PNG
(4-fluoro-N-(4-(methylsulfonyl)phenyl)-N-(1-(3-(6-(...)
Show SMILES CC(N(C(=O)c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O)c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C35H33FN2O5S2/c1-23(38(34(39)24-11-13-29(36)14-12-24)30-15-17-31(18-16-30)44(4,40)41)25-8-6-9-26(20-25)32-22-28(35(2,3)45(5,42)43)21-27-10-7-19-37-33(27)32/h6-23H,1-5H3
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n/an/a 0.700n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4D


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


(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


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


(Homo sapiens (Human))
BDBM50304411
PNG
(CHEMBL594109 | cis-2-{4-[(1H-Imidazol-1-yl)methyl]...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(Cn3ccnc3)cc2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C27H28N4O3/c1-33-24-12-11-21(15-25(24)34-2)26-22-5-3-4-6-23(22)27(32)31(29-26)17-20-9-7-19(8-10-20)16-30-14-13-28-18-30/h3-4,7-15,18,22-23H,5-6,16-17H2,1-2H3/t22-,23+/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis


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


(Homo sapiens (Human))
BDBM14774
PNG
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
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n/an/a 0.700n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4D (PDE4D)


(Homo sapiens (Human))
BDBM50174029
PNG
((E)-3-(3-(6-(2-cyanopropan-2-yl)quinolin-8-yl)phen...)
Show SMILES CC(C)NC(=O)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)C#N)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H31N3O3S/c1-21(2)35-31(36)29(23-11-13-27(14-12-23)39(5,37)38)17-22-8-6-9-24(16-22)28-19-26(32(3,4)20-33)18-25-10-7-15-34-30(25)28/h6-19,21H,1-5H3,(H,35,36)/b29-17+
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n/an/a 0.700n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


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


(Homo sapiens (Human))
BDBM50325787
PNG
(8-(3-(difluoromethoxy)phenyl)-6-((4-(methylsulfony...)
Show SMILES CS(=O)(=O)c1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C24H19F2NO4S/c1-32(28,29)21-9-7-19(8-10-21)30-15-16-12-18-5-3-11-27-23(18)22(13-16)17-4-2-6-20(14-17)31-24(25)26/h2-14,24H,15H2,1H3
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n/an/a 0.800n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Citation and Details
More data for this
Ligand-Target Pair
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