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Compile Data Set for Download or QSAR

Found 149 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 4' AND taxid = 10116   
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


(RAT)
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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0.0400n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
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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2.40n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50074893
PNG
(2-[4-(6,7-Diethoxy-2,3-bis-hydroxymethyl-naphthale...)
Show SMILES CCOc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OCC
Show InChI InChI=1S/C34H30N4O5/c1-3-42-29-15-23-14-24(19-39)28(20-40)32(27(23)17-30(29)43-4-2)21-11-13-36-31(16-21)38-34(41)26-10-6-5-9-25(26)33(37-38)22-8-7-12-35-18-22/h5-18,39-40H,3-4,19-20H2,1-2H3
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2.60n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]- rolipram binding to guinea pig brain


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


(RAT)
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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3n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50074901
PNG
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C32H26N4O5/c1-40-27-13-21-12-22(17-37)26(18-38)30(25(21)15-28(27)41-2)19-9-11-34-29(14-19)36-32(39)24-8-4-3-7-23(24)31(35-36)20-6-5-10-33-16-20/h3-16,37-38H,17-18H2,1-2H3
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3.5n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]- rolipram binding to guinea pig brain


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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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3.80n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]- rolipram binding to guinea pig brain


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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50074889
PNG
(1-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3c4ccccc4ccc3=O)c2cc1OC
Show InChI InChI=1S/C28H24N2O5/c1-34-24-12-19-11-20(15-31)22(16-32)28(21(19)14-25(24)35-2)18-9-10-29-26(13-18)30-23-6-4-3-5-17(23)7-8-27(30)33/h3-14,31-32H,15-16H2,1-2H3
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6.20n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]- rolipram binding to guinea pig brain


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


(RAT)
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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9n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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16.6n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM86218
PNG
(CAS_0 | Desmethylpiclamilas | NSC_0)
Show SMILES Oc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H16Cl2N2O3/c18-12-8-20-9-13(19)16(12)21-17(23)10-5-6-14(22)15(7-10)24-11-3-1-2-4-11/h5-9,11,22H,1-4H2,(H,20,21,23)
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34.8n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM14773
PNG
(4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclo...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCC(CC1)C(O)=O)C#N
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)
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118n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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189n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM14773
PNG
(4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclo...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCC(CC1)C(O)=O)C#N
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)
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200n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM86222
PNG
(CAS_62824 | ICI 63, 197 | NSC_62824)
Show SMILES CCCn1c2nc(N)nn2cc(C)c1=O
Show InChI InChI=1S/C9H13N5O/c1-3-4-13-7(15)6(2)5-14-9(13)11-8(10)12-14/h5H,3-4H2,1-2H3,(H2,10,12)
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313n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM86218
PNG
(CAS_0 | Desmethylpiclamilas | NSC_0)
Show SMILES Oc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H16Cl2N2O3/c18-12-8-20-9-13(19)16(12)21-17(23)10-5-6-14(22)15(7-10)24-11-3-1-2-4-11/h5-9,11,22H,1-4H2,(H,20,21,23)
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600n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM50113382
PNG
(4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-phenyl...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccncc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3
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900n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM86220
PNG
(CAS_443955 | NSC_443955 | Vinpocetine)
Show SMILES CCOC(=O)C1=CC2(CC)CCCN3CCc4c(C23)n1c1ccccc41
Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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1.00E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4


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


(RAT)
BDBM14363
PNG
(3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0...)
Show SMILES CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
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1.00E+3n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM50113382
PNG
(4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-phenyl...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccncc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3
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1.25E+3n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM15336
PNG
(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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3.09E+3n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM86219
PNG
(CAS_5537 | NSC_5537 | Trequinsin)
Show SMILES COc1cc2CCn3c(cc(=Nc4c(C)cc(C)cc4C)n(C)c3=O)-c2cc1OC
Show InChI InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3
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3.15E+3n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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4.10E+3n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM15336
PNG
(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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8.40E+3n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM14754
PNG
(1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...)
Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
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8.82E+3n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM86219
PNG
(CAS_5537 | NSC_5537 | Trequinsin)
Show SMILES COc1cc2CCn3c(cc(=Nc4c(C)cc(C)cc4C)n(C)c3=O)-c2cc1OC
Show InChI InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM14754
PNG
(1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...)
Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM86222
PNG
(CAS_62824 | ICI 63, 197 | NSC_62824)
Show SMILES CCCn1c2nc(N)nn2cc(C)c1=O
Show InChI InChI=1S/C9H13N5O/c1-3-4-13-7(15)6(2)5-14-9(13)11-8(10)12-14/h5H,3-4H2,1-2H3,(H2,10,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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


(RAT)
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




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 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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50074893
PNG
(2-[4-(6,7-Diethoxy-2,3-bis-hydroxymethyl-naphthale...)
Show SMILES CCOc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OCC
Show InChI InChI=1S/C34H30N4O5/c1-3-42-29-15-23-14-24(19-39)28(20-40)32(27(23)17-30(29)43-4-2)21-11-13-36-31(16-21)38-34(41)26-10-6-5-9-25(26)33(37-38)22-8-7-12-35-18-22/h5-18,39-40H,3-4,19-20H2,1-2H3
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n/an/a 0.130n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of guinea pig lung Phosphodiesterase 4


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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50074897
PNG
(2-[4-(7-Ethoxy-2,3-bis-hydroxymethyl-6-methoxy-nap...)
Show SMILES CCOc1cc2c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c(CO)c(CO)cc2cc1OC
Show InChI InChI=1S/C33H28N4O5/c1-3-42-29-16-26-22(14-28(29)41-2)13-23(18-38)27(19-39)31(26)20-10-12-35-30(15-20)37-33(40)25-9-5-4-8-24(25)32(36-37)21-7-6-11-34-17-21/h4-17,38-39H,3,18-19H2,1-2H3
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n/an/a 0.160n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of Phosphodiesterase 4 from guinea pig lung


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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50026877
PNG
(CHEMBL12346)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3c4ccccc4c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C32H26N2O5/c1-38-28-14-20-13-21(17-35)26(18-36)31(25(20)16-29(28)39-2)19-11-12-33-30(15-19)34-27-10-6-5-8-23(27)22-7-3-4-9-24(22)32(34)37/h3-16,35-36H,17-18H2,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of Phosphodiesterase 4 from guinea pig lung


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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50074886
PNG
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4ccncc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C32H26N4O5/c1-40-27-14-21-13-22(17-37)26(18-38)30(25(21)16-28(27)41-2)20-9-12-34-29(15-20)36-32(39)24-6-4-3-5-23(24)31(35-36)19-7-10-33-11-8-19/h3-16,37-38H,17-18H2,1-2H3
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n/an/a 0.490n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of Phosphodiesterase 4 from guinea pig lung


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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50074894
PNG
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4ccccn4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C32H26N4O5/c1-40-27-14-20-13-21(17-37)25(18-38)30(24(20)16-28(27)41-2)19-10-12-34-29(15-19)36-32(39)23-8-4-3-7-22(23)31(35-36)26-9-5-6-11-33-26/h3-16,37-38H,17-18H2,1-2H3
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n/an/a 0.550n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of Phosphodiesterase 4 from guinea pig lung


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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50074901
PNG
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C32H26N4O5/c1-40-27-13-21-12-22(17-37)26(18-38)30(25(21)15-28(27)41-2)19-9-11-34-29(14-19)36-32(39)24-8-4-3-7-23(24)31(35-36)20-6-5-10-33-16-20/h3-16,37-38H,17-18H2,1-2H3
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n/an/a 0.630n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of Phosphodiesterase 4 from guinea pig lung


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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50074884
PNG
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3ncc4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C27H23N3O5/c1-34-23-10-18-9-19(14-31)22(15-32)26(21(18)12-24(23)35-2)16-7-8-28-25(11-16)30-27(33)20-6-4-3-5-17(20)13-29-30/h3-13,31-32H,14-15H2,1-2H3
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n/an/a 0.680n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of Phosphodiesterase 4 from guinea pig lung


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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50074898
PNG
(2-[4-(3-Hydroxymethyl-6,7-dimethoxy-naphthalen-1-y...)
Show SMILES COc1cc2cc(CO)cc(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C31H24N4O4/c1-38-27-14-22-12-19(18-36)13-25(26(22)16-28(27)39-2)20-9-11-33-29(15-20)35-31(37)24-8-4-3-7-23(24)30(34-35)21-6-5-10-32-17-21/h3-17,36H,18H2,1-2H3
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n/an/a 0.700n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of Phosphodiesterase 4 from guinea pig lung


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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
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 0.800n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4


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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50074896
PNG
(2-[4-(6-Ethoxy-2,3-bis-hydroxymethyl-7-methoxy-nap...)
Show SMILES CCOc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C33H28N4O5/c1-3-42-29-14-22-13-23(18-38)27(19-39)31(26(22)16-28(29)41-2)20-10-12-35-30(15-20)37-33(40)25-9-5-4-8-24(25)32(36-37)21-7-6-11-34-17-21/h4-17,38-39H,3,18-19H2,1-2H3
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n/an/a 0.900n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of Phosphodiesterase 4 from guinea pig lung


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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50074889
PNG
(1-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3c4ccccc4ccc3=O)c2cc1OC
Show InChI InChI=1S/C28H24N2O5/c1-34-24-12-19-11-20(15-31)22(16-32)28(21(19)14-25(24)35-2)18-9-10-29-26(13-18)30-23-6-4-3-5-17(23)7-8-27(30)33/h3-14,31-32H,15-16H2,1-2H3
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n/an/a 2.80n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of Phosphodiesterase 4 from guinea pig lung


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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50134434
PNG
(CHEMBL3746046)
Show SMILES Cc1c(nn2c(Nc3cc(Cl)cc(Cl)c3)c3C(=O)NCCc3nc12)S(C)(=O)=O
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n/an/a 5n/an/an/an/an/an/a



Sanofi Research Center

Curated by ChEMBL


Assay Description
Inhibition of PDE4 in human SHSY-5Y cells assessed as suppression of cAMP hydrolysis by HTRF assay in presence of dye d2 labelled cAMP


Bioorg Med Chem Lett 26: 454-9 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50134433
PNG
(CHEMBL3745968)
Show SMILES COc1cccc(Nc2c3C(=O)NCCc3nc3c(C)c(nn23)S(C)(=O)=O)c1
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n/an/a 8n/an/an/an/an/an/a



Sanofi Research Center

Curated by ChEMBL


Assay Description
Inhibition of PDE4 in human SHSY-5Y cells assessed as suppression of cAMP hydrolysis by HTRF assay in presence of dye d2 labelled cAMP


Bioorg Med Chem Lett 26: 454-9 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50026875
PNG
(CHEMBL537252)
Show SMILES Cl.COc1cc2cc(CO)c(CO)c(-c3cccc(n3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C32H26N4O5.ClH/c1-40-27-14-20-13-21(17-37)25(18-38)30(24(20)15-28(27)41-2)26-10-5-11-29(34-26)36-32(39)23-9-4-3-8-22(23)31(35-36)19-7-6-12-33-16-19;/h3-16,37-38H,17-18H2,1-2H3;1H
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n/an/a 15n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of Phosphodiesterase 4 from guinea pig lung


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


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50026878
PNG
(CHEMBL556982)
Show SMILES Cl.COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OCc1ccccc1
Show InChI InChI=1S/C38H30N4O5.ClH/c1-46-33-17-27-16-28(21-43)32(22-44)36(31(27)19-34(33)47-23-24-8-3-2-4-9-24)25-13-15-40-35(18-25)42-38(45)30-12-6-5-11-29(30)37(41-42)26-10-7-14-39-20-26;/h2-20,43-44H,21-23H2,1H3;1H
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n/an/a 17n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of Phosphodiesterase 4 from guinea pig lung


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


(RAT)
BDBM50072197
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-ethyl-6...)
Show SMILES CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C27H32N2O5/c1-3-26-28-23-14-25(32-9-8-30)24(31-2)13-22(23)27(29-26)19-10-20(33-15-17-4-5-17)12-21(11-19)34-16-18-6-7-18/h10-14,17-18,30H,3-9,15-16H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Evaluated for its ability to inhibit PDE4B.


Bioorg Med Chem Lett 8: 2891-6 (1999)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (human)-Homo sapiens (Hu...)
BDBM50026876
PNG
(CHEMBL543965)
Show SMILES Cl.COc1cc2c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c(CO)c(CO)cc2cc1OC1CCCC1
Show InChI InChI=1S/C36H32N4O5.ClH/c1-44-31-18-29-24(16-32(31)45-26-8-2-3-9-26)15-25(20-41)30(21-42)34(29)22-12-14-38-33(17-22)40-36(43)28-11-5-4-10-27(28)35(39-40)23-7-6-13-37-19-23;/h4-7,10-19,26,41-42H,2-3,8-9,20-21H2,1H3;1H
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n/an/a 30n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of Phosphodiesterase 4 from guinea pig lung


Citation and Details
More data for this
Ligand-Target Pair
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