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Compile Data Set for Download or QSAR

Found 8522 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 4'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(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




J Pharmacol Exp Ther 305: 565-72 (2003)


Article DOI: 10.1124/jpet.102.47407
BindingDB Entry DOI: 10.7270/Q23B5XQG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527524
PNG
(CHEMBL4566742)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)C(=O)CN2C(=O)CCC2=O)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C27H32N4O6/c1-36-21-8-7-17(15-22(21)37-2)26-19-5-3-4-6-20(19)27(35)31(28-26)18-11-13-29(14-12-18)25(34)16-30-23(32)9-10-24(30)33/h3-4,7-8,15,18-20H,5-6,9-14,16H2,1-2H3/t19-,20+/m0/s1
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0.0617n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527552
PNG
(CHEMBL4435111)
Show SMILES CC1(C)CC(=O)N(CC(=O)N2CCC(CC2)N2N=C([C@H]3CC=CC[C@H]3C2=O)c2ccc(F)cc2)C(=O)C1
Show InChI InChI=1S/C28H33FN4O4/c1-28(2)15-23(34)32(24(35)16-28)17-25(36)31-13-11-20(12-14-31)33-27(37)22-6-4-3-5-21(22)26(30-33)18-7-9-19(29)10-8-18/h3-4,7-10,20-22H,5-6,11-17H2,1-2H3/t21-,22+/m0/s1
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0.120n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527532
PNG
(CHEMBL4441748)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)C(=O)CN2C(=O)CC(C)(C)CC2=O)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C30H38N4O6/c1-30(2)16-25(35)33(26(36)17-30)18-27(37)32-13-11-20(12-14-32)34-29(38)22-8-6-5-7-21(22)28(31-34)19-9-10-23(39-3)24(15-19)40-4/h5-6,9-10,15,20-22H,7-8,11-14,16-18H2,1-4H3/t21-,22+/m0/s1
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0.123n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527537
PNG
(CHEMBL4453005)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)C(=O)CN2C(=O)CC3(CCCCC3)CC2=O)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C33H42N4O6/c1-42-26-11-10-22(18-27(26)43-2)31-24-8-4-5-9-25(24)32(41)37(34-31)23-12-16-35(17-13-23)30(40)21-36-28(38)19-33(20-29(36)39)14-6-3-7-15-33/h4-5,10-11,18,23-25H,3,6-9,12-17,19-21H2,1-2H3/t24-,25+/m0/s1
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0.155n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527531
PNG
(CHEMBL4524402)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)c2nc(N)nc3ccccc23)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C29H32N6O3/c1-37-24-12-11-18(17-25(24)38-2)26-20-7-3-4-8-21(20)28(36)35(33-26)19-13-15-34(16-14-19)27-22-9-5-6-10-23(22)31-29(30)32-27/h3-6,9-12,17,19-21H,7-8,13-16H2,1-2H3,(H2,30,31,32)/t20-,21+/m0/s1
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0.155n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527528
PNG
(CHEMBL4441871)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)C(=O)CN2C(=O)CC(C)(C)CC2=O)C(=O)[C@@H]2CCCC[C@H]12
Show InChI InChI=1S/C30H40N4O6/c1-30(2)16-25(35)33(26(36)17-30)18-27(37)32-13-11-20(12-14-32)34-29(38)22-8-6-5-7-21(22)28(31-34)19-9-10-23(39-3)24(15-19)40-4/h9-10,15,20-22H,5-8,11-14,16-18H2,1-4H3/t21-,22+/m0/s1
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0.162n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527550
PNG
(CHEMBL4461456)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)C(=O)CN2C(=O)CC(C)C2=O)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C28H34N4O6/c1-17-14-24(33)31(27(17)35)16-25(34)30-12-10-19(11-13-30)32-28(36)21-7-5-4-6-20(21)26(29-32)18-8-9-22(37-2)23(15-18)38-3/h4-5,8-9,15,17,19-21H,6-7,10-14,16H2,1-3H3/t17?,20-,21+/m0/s1
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0.170n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527535
PNG
(CHEMBL4589927)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)c2ncnc3ccccc23)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C29H31N5O3/c1-36-25-12-11-19(17-26(25)37-2)27-21-7-3-4-8-22(21)29(35)34(32-27)20-13-15-33(16-14-20)28-23-9-5-6-10-24(23)30-18-31-28/h3-6,9-12,17-18,20-22H,7-8,13-16H2,1-2H3/t21-,22+/m0/s1
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0.224n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527533
PNG
(CHEMBL4592553)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)c2ncnc3ccsc23)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C27H29N5O3S/c1-34-22-8-7-17(15-23(22)35-2)24-19-5-3-4-6-20(19)27(33)32(30-24)18-9-12-31(13-10-18)26-25-21(11-14-36-25)28-16-29-26/h3-4,7-8,11,14-16,18-20H,5-6,9-10,12-13H2,1-2H3/t19-,20+/m0/s1
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0.234n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527555
PNG
(CHEMBL4530777)
Show SMILES CC1(C)CC(=O)N(CC(=O)N2CCC(CC2)N2N=C([C@H]3CC=CC[C@H]3C2=O)c2ccc(OC(F)F)c(OC(F)F)c2)C(=O)C1
Show InChI InChI=1S/C30H34F4N4O6/c1-30(2)14-23(39)37(24(40)15-30)16-25(41)36-11-9-18(10-12-36)38-27(42)20-6-4-3-5-19(20)26(35-38)17-7-8-21(43-28(31)32)22(13-17)44-29(33)34/h3-4,7-8,13,18-20,28-29H,5-6,9-12,14-16H2,1-2H3/t19-,20+/m0/s1
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0.302n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527567
PNG
(CHEMBL4473426)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)C(=O)CN2C(=O)CC(Cc3ccccc3)C2=O)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C34H38N4O6/c1-43-28-13-12-23(19-29(28)44-2)32-26-10-6-7-11-27(26)34(42)38(35-32)25-14-16-36(17-15-25)31(40)21-37-30(39)20-24(33(37)41)18-22-8-4-3-5-9-22/h3-9,12-13,19,24-27H,10-11,14-18,20-21H2,1-2H3/t24?,26-,27+/m0/s1
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0.316n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527560
PNG
(CHEMBL4444578)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)c2nccc(N)n2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C25H30N6O3/c1-33-20-8-7-16(15-21(20)34-2)23-18-5-3-4-6-19(18)24(32)31(29-23)17-10-13-30(14-11-17)25-27-12-9-22(26)28-25/h3-4,7-9,12,15,17-19H,5-6,10-11,13-14H2,1-2H3,(H2,26,27,28)/t18-,19+/m0/s1
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0.316n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527554
PNG
(CHEMBL4460623)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)c2nc(N)nc3sccc23)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C27H30N6O3S/c1-35-21-8-7-16(15-22(21)36-2)23-18-5-3-4-6-19(18)26(34)33(31-23)17-9-12-32(13-10-17)24-20-11-14-37-25(20)30-27(28)29-24/h3-4,7-8,11,14-15,17-19H,5-6,9-10,12-13H2,1-2H3,(H2,28,29,30)/t18-,19+/m0/s1
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0.355n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527559
PNG
(CHEMBL4591859)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CN(C2)C(=O)CN2C(=O)CC(C)(C)CC2=O)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C28H34N4O6/c1-28(2)12-23(33)31(24(34)13-28)16-25(35)30-14-18(15-30)32-27(36)20-8-6-5-7-19(20)26(29-32)17-9-10-21(37-3)22(11-17)38-4/h5-6,9-11,18-20H,7-8,12-16H2,1-4H3/t19-,20+/m0/s1
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0.389n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(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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0.398n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PDE4B1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay


J Med Chem 61: 3870-3888 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01670
BindingDB Entry DOI: 10.7270/Q2P84FF9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(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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0.400n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4)


Bioorg Med Chem Lett 8: 3053-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00572-1
BindingDB Entry DOI: 10.7270/Q2PV6NK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(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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0.400n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay


Bioorg Med Chem Lett 8: 1867-72 (1998)


Article DOI: 10.1016/s0960-894x(98)00324-2
BindingDB Entry DOI: 10.7270/Q2CJ8GPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527525
PNG
(CHEMBL4522249)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)c2ccnc(N)n2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C25H30N6O3/c1-33-20-8-7-16(15-21(20)34-2)23-18-5-3-4-6-19(18)24(32)31(29-23)17-10-13-30(14-11-17)22-9-12-27-25(26)28-22/h3-4,7-9,12,15,17-19H,5-6,10-11,13-14H2,1-2H3,(H2,26,27,28)/t18-,19+/m0/s1
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0.513n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50228247
PNG
(CHEMBL38017 | LY-197055)
Show SMILES CC1CC(=O)NN=C1c1ccc2NC(=O)C(C)(C)c2c1
Show InChI InChI=1S/C15H17N3O2/c1-8-6-12(19)17-18-13(8)9-4-5-11-10(7-9)15(2,3)14(20)16-11/h4-5,7-8H,6H2,1-3H3,(H,16,20)(H,17,19)
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0.540n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement [3H]LY-186,126 from phosphodiesterase 4 of myocardial vesicles


J Med Chem 32: 1476-80 (1989)


Article DOI: 10.1021/jm00127a014
BindingDB Entry DOI: 10.7270/Q2P271B2
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527529
PNG
(CHEMBL4454600)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CN(C2)c2ncnc3ccsc23)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C25H25N5O3S/c1-32-20-8-7-15(11-21(20)33-2)22-17-5-3-4-6-18(17)25(31)30(28-22)16-12-29(13-16)24-23-19(9-10-34-23)26-14-27-24/h3-4,7-11,14,16-18H,5-6,12-13H2,1-2H3/t17-,18+/m0/s1
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0.562n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(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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0.631n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PDE4B1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay


J Med Chem 61: 3870-3888 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01670
BindingDB Entry DOI: 10.7270/Q2P84FF9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527527
PNG
(CHEMBL4466777)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)c2nc(N)nc3sccc23)C(=O)[C@@H]2CCCC[C@H]12
Show InChI InChI=1S/C27H32N6O3S/c1-35-21-8-7-16(15-22(21)36-2)23-18-5-3-4-6-19(18)26(34)33(31-23)17-9-12-32(13-10-17)24-20-11-14-37-25(20)30-27(28)29-24/h7-8,11,14-15,17-19H,3-6,9-10,12-13H2,1-2H3,(H2,28,29,30)/t18-,19+/m0/s1
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0.661n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527534
PNG
(CHEMBL4472307)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)c2nc(N)c3sccc3n2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C27H30N6O3S/c1-35-21-8-7-16(15-22(21)36-2)23-18-5-3-4-6-19(18)26(34)33(31-23)17-9-12-32(13-10-17)27-29-20-11-14-37-24(20)25(28)30-27/h3-4,7-8,11,14-15,17-19H,5-6,9-10,12-13H2,1-2H3,(H2,28,29,30)/t18-,19+/m0/s1
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0.676n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527530
PNG
(CHEMBL4461705)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CN(C2)C(=O)CN2C(=O)CC3(CCCC3)CC2=O)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C30H36N4O6/c1-39-23-10-9-19(13-24(23)40-2)28-21-7-3-4-8-22(21)29(38)34(31-28)20-16-32(17-20)27(37)18-33-25(35)14-30(15-26(33)36)11-5-6-12-30/h3-4,9-10,13,20-22H,5-8,11-12,14-18H2,1-2H3/t21-,22+/m0/s1
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0.676n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(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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0.850n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to phosphodiesterase 4


Bioorg Med Chem Lett 13: 2347-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00438-4
BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527548
PNG
(CHEMBL4465097)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CN(C2)C(=O)CN2C(=O)CC3(CCCCC3)CC2=O)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C31H38N4O6/c1-40-24-11-10-20(14-25(24)41-2)29-22-8-4-5-9-23(22)30(39)35(32-29)21-17-33(18-21)28(38)19-34-26(36)15-31(16-27(34)37)12-6-3-7-13-31/h4-5,10-11,14,21-23H,3,6-9,12-13,15-19H2,1-2H3/t22-,23+/m0/s1
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0.851n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527549
PNG
(CHEMBL4452707)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)c2nc(N)nc3[nH]cnc23)C(=O)[C@@H]2CC=CC[C@H]12
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0.871n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(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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1n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of Rolipram binding to Phosphodiesterase 4


Bioorg Med Chem Lett 8: 2737-42 (1998)


Article DOI: 10.1016/s0960-894x(98)00497-1
BindingDB Entry DOI: 10.7270/Q2GB267S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(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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1n/an/an/an/an/an/an/an/a



SW 8 Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes.


J Med Chem 41: 4216-23 (1998)


Article DOI: 10.1021/jm970575f
BindingDB Entry DOI: 10.7270/Q2K35XCX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM30129
PNG
(phthalazinone, 22)
Show SMILES COc1ccc(F)c(CCCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1
Show InChI InChI=1S/C37H50FN3O5/c1-43-30-17-18-33(38)26(24-30)10-9-11-28-15-16-29(46-28)20-22-39-21-7-4-8-23-41-37(42)32-13-6-5-12-31(32)36(40-41)27-14-19-34(44-2)35(25-27)45-3/h5-6,14,17-19,24-25,28-29,31-32,39H,4,7-13,15-16,20-23H2,1-3H3
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1.20 -52.5n/an/an/an/an/a8.034



Human BioMolecular Research Institute



Assay Description
The samples were assayed in a solution composed of PDE4, [3H]cAMP/cAMP, and test compounds. To convert AMP to adenosine, snake venom was added to eac...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527523
PNG
(CHEMBL4461658)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CN(C2)c2nc(N)nc3sccc23)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C25H26N6O3S/c1-33-19-8-7-14(11-20(19)34-2)21-16-5-3-4-6-17(16)24(32)31(29-21)15-12-30(13-15)22-18-9-10-35-23(18)28-25(26)27-22/h3-4,7-11,15-17H,5-6,12-13H2,1-2H3,(H2,26,27,28)/t16-,17+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220984
PNG
(CHEMBL554636)
Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4cccs4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C29H22N4O4S/c1-36-23-13-18-12-19(16-34)31-27(22(18)15-24(23)37-2)17-9-10-30-26(14-17)33-29(35)21-7-4-3-6-20(21)28(32-33)25-8-5-11-38-25/h3-15,34H,16H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to phosphodiesterase 4


Bioorg Med Chem Lett 13: 2347-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00438-4
BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220990
PNG
(CHEMBL556179)
Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C30H23N5O4/c1-38-25-13-20-12-21(17-36)33-28(24(20)15-26(25)39-2)18-9-11-32-27(14-18)35-30(37)23-8-4-3-7-22(23)29(34-35)19-6-5-10-31-16-19/h3-16,36H,17H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to phosphodiesterase 4


Bioorg Med Chem Lett 13: 2347-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00438-4
BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(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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1.5n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00449-2
BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220985
PNG
(CHEMBL553502)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3ccc4c(OCc5cccnc5)cccc4c3=O)c2cc1OC
Show InChI InChI=1S/C32H28N4O5.ClH/c1-39-28-14-22-13-23(18-37)35-31(26(22)16-29(28)40-2)21-8-11-34-30(15-21)36-12-9-24-25(32(36)38)6-3-7-27(24)41-19-20-5-4-10-33-17-20;/h3-12,14-17,23,37H,13,18-19H2,1-2H3;1H/t23-;/m0./s1
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1.5n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to phosphodiesterase 4


Bioorg Med Chem Lett 13: 2347-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00438-4
BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(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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1.5n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of human VCAM and Ramos cell VLA-4 interaction


Bioorg Med Chem Lett 11: 33-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00587-4
BindingDB Entry DOI: 10.7270/Q2MS3VZ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(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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1.5n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to Phosphodiesterase 4


Bioorg Med Chem Lett 12: 5-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00668-0
BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
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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1.60n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 from human neutrophils


Bioorg Med Chem Lett 10: 2235-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00449-2
BindingDB Entry DOI: 10.7270/Q2J105BG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
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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1.60n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to Phosphodiesterase 4


Bioorg Med Chem Lett 12: 5-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00668-0
BindingDB Entry DOI: 10.7270/Q2SB47Z5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527557
PNG
(CHEMBL4533993)
Show SMILES FC(F)Oc1ccc(cc1OC(F)F)C1=NN(C2CCN(CC2)C(=O)CN2C(=O)CC3(CCCCC3)CC2=O)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C33H38F4N4O6/c34-31(35)46-24-9-8-20(16-25(24)47-32(36)37)29-22-6-2-3-7-23(22)30(45)41(38-29)21-10-14-39(15-11-21)28(44)19-40-26(42)17-33(18-27(40)43)12-4-1-5-13-33/h2-3,8-9,16,21-23,31-32H,1,4-7,10-15,17-19H2/t22-,23+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
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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1.60n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of human VCAM and Ramos cell VLA-4 interaction


Bioorg Med Chem Lett 11: 33-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00587-4
BindingDB Entry DOI: 10.7270/Q2MS3VZ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220988
PNG
(CHEMBL544766)
Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4nccs4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C28H21N5O4S/c1-36-22-12-17-11-18(15-34)31-25(21(17)14-23(22)37-2)16-7-8-29-24(13-16)33-28(35)20-6-4-3-5-19(20)26(32-33)27-30-9-10-38-27/h3-14,34H,15H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to phosphodiesterase 4


Bioorg Med Chem Lett 13: 2347-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00438-4
BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50220989
PNG
(CHEMBL542299)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3ccc4c(OCCN5CCOCC5)cccc4c3=O)c2cc1OC
Show InChI InChI=1S/C32H34N4O6.ClH/c1-39-28-17-22-16-23(20-37)34-31(26(22)19-29(28)40-2)21-6-8-33-30(18-21)36-9-7-24-25(32(36)38)4-3-5-27(24)42-15-12-35-10-13-41-14-11-35;/h3-9,17-19,23,37H,10-16,20H2,1-2H3;1H/t23-;/m0./s1
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1.80n/an/an/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to phosphodiesterase 4


Bioorg Med Chem Lett 13: 2347-50 (2003)


Article DOI: 10.1016/s0960-894x(03)00438-4
BindingDB Entry DOI: 10.7270/Q2HQ4236
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM30128
PNG
(phthalazinone, 21)
Show SMILES COc1ccc(F)c(CCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1
Show InChI InChI=1S/C36H48FN3O5/c1-42-29-16-17-32(37)25(23-29)11-13-27-14-15-28(45-27)19-21-38-20-7-4-8-22-40-36(41)31-10-6-5-9-30(31)35(39-40)26-12-18-33(43-2)34(24-26)44-3/h5-6,12,16-18,23-24,27-28,30-31,38H,4,7-11,13-15,19-22H2,1-3H3
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2 -51.1n/an/an/an/an/a8.034



Human BioMolecular Research Institute



Assay Description
The samples were assayed in a solution composed of PDE4, [3H]cAMP/cAMP, and test compounds. To convert AMP to adenosine, snake venom was added to eac...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM30127
PNG
(CHEMBL480988 | phthalazinone, 20)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCBr)C(=O)C2CC=CCC12
Show InChI InChI=1S/C21H27BrN2O3/c1-26-18-11-10-15(14-19(18)27-2)20-16-8-4-5-9-17(16)21(25)24(23-20)13-7-3-6-12-22/h4-5,10-11,14,16-17H,3,6-9,12-13H2,1-2H3
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2.30 -50.8n/an/an/an/an/a8.034



Human BioMolecular Research Institute



Assay Description
The samples were assayed in a solution composed of PDE4, [3H]cAMP/cAMP, and test compounds. To convert AMP to adenosine, snake venom was added to eac...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(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




J Pharmacol Exp Ther 305: 565-72 (2003)


Article DOI: 10.1124/jpet.102.47407
BindingDB Entry DOI: 10.7270/Q23B5XQG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527566
PNG
(CHEMBL4472329)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)c2ncc3ccccc3n2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C29H31N5O3/c1-36-25-12-11-19(17-26(25)37-2)27-22-8-4-5-9-23(22)28(35)34(32-27)21-13-15-33(16-14-21)29-30-18-20-7-3-6-10-24(20)31-29/h3-7,10-12,17-18,21-23H,8-9,13-16H2,1-2H3/t22-,23+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527551
PNG
(CHEMBL4575003)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)c2nc(N)c3ccccc3n2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C29H32N6O3/c1-37-24-12-11-18(17-25(24)38-2)26-20-7-3-4-8-21(20)28(36)35(33-26)19-13-15-34(16-14-19)29-31-23-10-6-5-9-22(23)27(30)32-29/h3-6,9-12,17,19-21H,7-8,13-16H2,1-2H3,(H2,30,31,32)/t20-,21+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50527536
PNG
(CHEMBL4466905)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCN(CC2)c2ncc3sccc3n2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C27H29N5O3S/c1-34-22-8-7-17(15-23(22)35-2)25-19-5-3-4-6-20(19)26(33)32(30-25)18-9-12-31(13-10-18)27-28-16-24-21(29-27)11-14-36-24/h3-4,7-8,11,14-16,18-20H,5-6,9-10,12-13H2,1-2H3/t19-,20+/m0/s1
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2.60n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based


J Med Chem 63: 3485-3507 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00985
More data for this
Ligand-Target Pair
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