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Compile Data Set for Download or QSAR

Found 198 hits of ki data for polymerid = 362   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
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)
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 |r,c:43,t:28|
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)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(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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 5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Activity at Histamine H1 receptor using functional H1 receptor assay on guinea pig ileum

Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14381
PNG
(4-{2-[6-Amino-3-(3-cyclopentyloxy-4-methoxy-benzyl...)
Show SMILES COC(=O)c1ccc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)cc1
Show InChI InChI=1S/C30H35N5O5/c1-30(2,39-17-19-9-12-21(13-10-19)28(36)38-4)29-33-25-26(31)32-18-35(27(25)34-29)16-20-11-14-23(37-3)24(15-20)40-22-7-5-6-8-22/h9-15,18,22H,5-8,16-17,31H2,1-4H3
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 5.20n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50314557
PNG
((4-(3-(4-(3-nitrophenyl)pyridazino[4,5-b]indolizin...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nnc(NCCCN2CCN(CC2)C(=O)c2cnccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C28H27N9O3/c38-28(24-19-29-9-10-30-24)35-15-13-34(14-16-35)11-4-8-31-27-23-18-21-6-1-2-12-36(21)26(23)25(32-33-27)20-5-3-7-22(17-20)37(39)40/h1-3,5-7,9-10,12,17-19H,4,8,11,13-16H2,(H,31,33)
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 5.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting

Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14379
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-tert...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C(C)(C)C)cc1OC1CCCC1
Show InChI InChI=1S/C32H41N5O3/c1-31(2,3)23-14-11-21(12-15-23)19-39-32(4,5)30-35-27-28(33)34-20-37(29(27)36-30)18-22-13-16-25(38-6)26(17-22)40-24-9-7-8-10-24/h11-17,20,24H,7-10,18-19,33H2,1-6H3
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 5.80n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14382
PNG
(4-{2-[6-Amino-3-(3-cyclopentyloxy-4-methoxy-benzyl...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C(N)=O)cc1OC1CCCC1
Show InChI InChI=1S/C29H34N6O4/c1-29(2,38-16-18-8-11-20(12-9-18)26(31)36)28-33-24-25(30)32-17-35(27(24)34-28)15-19-10-13-22(37-3)23(14-19)39-21-6-4-5-7-21/h8-14,17,21H,4-7,15-16,30H2,1-3H3,(H2,31,36)
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 7.60n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14365
PNG
(8-(1-Benzyloxy-1-methyl-ethyl)-3-(3-cyclopentyloxy...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccccc2)cc1OC1CCCC1
Show InChI InChI=1S/C28H33N5O3/c1-28(2,35-17-19-9-5-4-6-10-19)27-31-24-25(29)30-18-33(26(24)32-27)16-20-13-14-22(34-3)23(15-20)36-21-11-7-8-12-21/h4-6,9-10,13-15,18,21H,7-8,11-12,16-17,29H2,1-3H3
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 8.90n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14386
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1,1-dimet...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)COc2ccsc2)cc1OC1CCCC1
Show InChI InChI=1S/C26H31N5O3S/c1-26(2,15-33-19-10-11-35-14-19)25-29-22-23(27)28-16-31(24(22)30-25)13-17-8-9-20(32-3)21(12-17)34-18-6-4-5-7-18/h8-12,14,16,18H,4-7,13,15,27H2,1-3H3
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 9.5n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14378
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(3,4-di...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(Cl)c(Cl)c2)cc1OC1CCCC1
Show InChI InChI=1S/C28H31Cl2N5O3/c1-28(2,37-15-18-8-10-20(29)21(30)12-18)27-33-24-25(31)32-16-35(26(24)34-27)14-17-9-11-22(36-3)23(13-17)38-19-6-4-5-7-19/h8-13,16,19H,4-7,14-15,31H2,1-3H3
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 9.70n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14369
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-meth...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(C)cc2)cc1OC1CCCC1
Show InChI InChI=1S/C29H35N5O3/c1-19-9-11-20(12-10-19)17-36-29(2,3)28-32-25-26(30)31-18-34(27(25)33-28)16-21-13-14-23(35-4)24(15-21)37-22-7-5-6-8-22/h9-15,18,22H,5-8,16-17,30H2,1-4H3
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 9.80n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14368
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-meth...)
Show SMILES COc1ccc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)cc1
Show InChI InChI=1S/C29H35N5O4/c1-29(2,37-17-19-9-12-21(35-3)13-10-19)28-32-25-26(30)31-18-34(27(25)33-28)16-20-11-14-23(36-4)24(15-20)38-22-7-5-6-8-22/h9-15,18,22H,5-8,16-17,30H2,1-4H3
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 10.3n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14370
PNG
(8-{1-[(4-Chlorobenzyl)oxy]-1-methyl-ethyl}-3-[3-cy...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(Cl)cc2)cc1OC1CCCC1
Show InChI InChI=1S/C28H32ClN5O3/c1-28(2,36-16-18-8-11-20(29)12-9-18)27-32-24-25(30)31-17-34(26(24)33-27)15-19-10-13-22(35-3)23(14-19)37-21-6-4-5-7-21/h8-14,17,21H,4-7,15-16,30H2,1-3H3
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 11n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14366
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(2-meth...)
Show SMILES COc1ccccc1COC(C)(C)c1nc2c(N)ncn(Cc3ccc(OC)c(OC4CCCC4)c3)c2n1
Show InChI InChI=1S/C29H35N5O4/c1-29(2,37-17-20-9-5-8-12-22(20)35-3)28-32-25-26(30)31-18-34(27(25)33-28)16-19-13-14-23(36-4)24(15-19)38-21-10-6-7-11-21/h5,8-9,12-15,18,21H,6-7,10-11,16-17,30H2,1-4H3
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 11n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14372
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(3-fluo...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2cccc(F)c2)cc1OC1CCCC1
Show InChI InChI=1S/C28H32FN5O3/c1-28(2,36-16-19-7-6-8-20(29)13-19)27-32-24-25(30)31-17-34(26(24)33-27)15-18-11-12-22(35-3)23(14-18)37-21-9-4-5-10-21/h6-8,11-14,17,21H,4-5,9-10,15-16,30H2,1-3H3
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 11.6n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14367
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(3-meth...)
Show SMILES COc1cccc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)c1
Show InChI InChI=1S/C29H35N5O4/c1-29(2,37-17-20-8-7-11-22(14-20)35-3)28-32-25-26(30)31-18-34(27(25)33-28)16-19-12-13-23(36-4)24(15-19)38-21-9-5-6-10-21/h7-8,11-15,18,21H,5-6,9-10,16-17,30H2,1-4H3
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 13n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14375
PNG
((2E)-but-2-enedioic acid; 3-{[3-(cyclopentyloxy)-4...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(F)c(F)c2)cc1OC1CCCC1
Show InChI InChI=1S/C28H31F2N5O3/c1-28(2,37-15-18-8-10-20(29)21(30)12-18)27-33-24-25(31)32-16-35(26(24)34-27)14-17-9-11-22(36-3)23(13-17)38-19-6-4-5-7-19/h8-13,16,19H,4-7,14-15,31H2,1-3H3
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 17.3n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14371
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(2-fluo...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccccc2F)cc1OC1CCCC1
Show InChI InChI=1S/C28H32FN5O3/c1-28(2,36-16-19-8-4-7-11-21(19)29)27-32-24-25(30)31-17-34(26(24)33-27)15-18-12-13-22(35-3)23(14-18)37-20-9-5-6-10-20/h4,7-8,11-14,17,20H,5-6,9-10,15-16,30H2,1-3H3
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 18.9n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14376
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(3,4-me...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc3OCOc3c2)cc1OC1CCCC1
Show InChI InChI=1S/C29H33N5O5/c1-29(2,38-15-19-9-11-22-23(13-19)37-17-36-22)28-32-25-26(30)31-16-34(27(25)33-28)14-18-8-10-21(35-3)24(12-18)39-20-6-4-5-7-20/h8-13,16,20H,4-7,14-15,17,30H2,1-3H3
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 21.4n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14374
PNG
((2E)-but-2-enedioic acid; 3-{[3-(cyclopentyloxy)-4...)
Show SMILES COc1cc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)cc(OC)c1
Show InChI InChI=1S/C30H37N5O5/c1-30(2,39-17-20-12-22(36-3)15-23(13-20)37-4)29-33-26-27(31)32-18-35(28(26)34-29)16-19-10-11-24(38-5)25(14-19)40-21-8-6-7-9-21/h10-15,18,21H,6-9,16-17,31H2,1-5H3
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 21.9n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14380
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-trif...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(OC(F)(F)F)cc2)cc1OC1CCCC1
Show InChI InChI=1S/C29H32F3N5O4/c1-28(2,39-16-18-8-11-21(12-9-18)41-29(30,31)32)27-35-24-25(33)34-17-37(26(24)36-27)15-19-10-13-22(38-3)23(14-19)40-20-6-4-5-7-20/h8-14,17,20H,4-7,15-16,33H2,1-3H3
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 26.6n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50029954
PNG
((7R,7aS)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-hex...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@@H]1CNC2=O
Show InChI InChI=1S/C18H24N2O3/c1-22-16-7-6-12(10-17(16)23-13-4-2-3-5-13)14-8-9-20-15(14)11-19-18(20)21/h6-7,10,13-15H,2-5,8-9,11H2,1H3,(H,19,21)/t14-,15-/m1/s1
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 27n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B

J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50048248
PNG
((3S,4R)-3-Acetyl-4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COC(=O)N1C[C@H]([C@@H](C1)c1ccc(OC)c(OC2CCCC2)c1)C(C)=O
Show InChI InChI=1S/C20H27NO5/c1-13(22)16-11-21(20(23)25-3)12-17(16)14-8-9-18(24-2)19(10-14)26-15-6-4-5-7-15/h8-10,15-17H,4-7,11-12H2,1-3H3/t16-,17-/m0/s1
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 30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)

Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50470745
PNG
(CHEMBL286840)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C21H31NO4/c1-21(2,3)26-20(23)22-12-11-16(14-22)15-9-10-18(24-4)19(13-15)25-17-7-5-6-8-17/h9-10,13,16-17H,5-8,11-12,14H2,1-4H3
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 30n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme

J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50285059
PNG
(1-(tert-butyl) 3-methyl 4-(3-cyclopentyloxy-4-meth...)
Show SMILES COC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H33NO6/c1-23(2,3)30-22(26)24-13-17(18(14-24)21(25)28-5)15-10-11-19(27-4)20(12-15)29-16-8-6-7-9-16/h10-12,16-18H,6-9,13-14H2,1-5H3/t17-,18+/m0/s1
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 30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)

Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50453147
PNG
(CHEMBL4202704)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C#N |r,c:3,9|
Show InChI InChI=1S/C29H31N3O2/c1-34-27-17-16-22(18-26(27)21-14-12-20(19-30)13-15-21)28-24-10-6-7-11-25(24)29(33)32(31-28)23-8-4-2-3-5-9-23/h6-7,12-18,23-25H,2-5,8-11H2,1H3/t24-,25+/m0/s1
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 32n/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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14384
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-trif...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C(F)(F)F)cc1OC1CCCC1
Show InChI InChI=1S/C29H32F3N5O3/c1-28(2,39-16-18-8-11-20(12-9-18)29(30,31)32)27-35-24-25(33)34-17-37(26(24)36-27)15-19-10-13-22(38-3)23(14-19)40-21-6-4-5-7-21/h8-14,17,21H,4-7,15-16,33H2,1-3H3
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 33n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50470752
PNG
(CHEMBL38328)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C23H27NO4/c1-26-21-12-11-17(15-22(21)27-19-9-5-6-10-19)18-13-14-24(16-18)23(25)28-20-7-3-2-4-8-20/h2-4,7-8,11-12,15,18-19H,5-6,9-10,13-14,16H2,1H3
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 34n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme

J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50285045
PNG
(1-isopropyl 3-methyl 4-(3-cyclopentyloxy-4-methoxy...)
Show SMILES COC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C(=O)OC(C)C
Show InChI InChI=1S/C22H31NO6/c1-14(2)28-22(25)23-12-17(18(13-23)21(24)27-4)15-9-10-19(26-3)20(11-15)29-16-7-5-6-8-16/h9-11,14,16-18H,5-8,12-13H2,1-4H3/t17-,18+/m0/s1
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 40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)

Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50314558
PNG
((4-(3-(4-phenylpyridazino[4,5-b]indolizin-1-ylamin...)
Show SMILES O=C(N1CCN(CCCNc2nnc(-c3ccccc3)c3c2cc2ccccn32)CC1)c1cnccn1
Show InChI InChI=1S/C28H28N8O/c37-28(24-20-29-11-12-30-24)35-17-15-34(16-18-35)13-6-10-31-27-23-19-22-9-4-5-14-36(22)26(23)25(32-33-27)21-7-2-1-3-8-21/h1-5,7-9,11-12,14,19-20H,6,10,13,15-18H2,(H,31,33)
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 41n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting

Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14373
PNG
((2E)-but-2-enedioic acid; 3-{[3-(cyclopentyloxy)-4...)
Show SMILES COc1ccc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)cc1OC
Show InChI InChI=1S/C30H37N5O5/c1-30(2,39-17-20-11-13-22(36-3)24(15-20)38-5)29-33-26-27(31)32-18-35(28(26)34-29)16-19-10-12-23(37-4)25(14-19)40-21-8-6-7-9-21/h10-15,18,21H,6-9,16-17,31H2,1-5H3
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 42.8n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50470756
PNG
(CHEMBL37453)
Show SMILES CCCOC(=O)N1CCC(C1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C20H29NO4/c1-3-12-24-20(22)21-11-10-16(14-21)15-8-9-18(23-2)19(13-15)25-17-6-4-5-7-17/h8-9,13,16-17H,3-7,10-12,14H2,1-2H3
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 46n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme

J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14385
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1,1-dimet...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)COc2cccs2)cc1OC1CCCC1
Show InChI InChI=1S/C26H31N5O3S/c1-26(2,15-33-21-9-6-12-35-21)25-29-22-23(27)28-16-31(24(22)30-25)14-17-10-11-19(32-3)20(13-17)34-18-7-4-5-8-18/h6,9-13,16,18H,4-5,7-8,14-15,27H2,1-3H3
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 46.9n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50285042
PNG
(CHEMBL302632 | tert-butyl 3-(3-cyclopentyloxy-4-me...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(C[C@H]1CO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H33NO5/c1-22(2,3)28-21(25)23-12-16(14-24)18(13-23)15-9-10-19(26-4)20(11-15)27-17-7-5-6-8-17/h9-11,16-18,24H,5-8,12-14H2,1-4H3/t16-,18-/m0/s1
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 50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)

Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50285038
PNG
(1-benzyl 3-methyl 4-(3-cyclopentyloxy-4-methoxyphe...)
Show SMILES COC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H31NO6/c1-30-23-13-12-19(14-24(23)33-20-10-6-7-11-20)21-15-27(16-22(21)25(28)31-2)26(29)32-17-18-8-4-3-5-9-18/h3-5,8-9,12-14,20-22H,6-7,10-11,15-17H2,1-2H3/t21-,22+/m0/s1
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 50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)

Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50470750
PNG
(CHEMBL286291)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)c1cccn1C
Show InChI InChI=1S/C22H28N2O3/c1-23-12-5-8-19(23)22(25)24-13-11-17(15-24)16-9-10-20(26-2)21(14-16)27-18-6-3-4-7-18/h5,8-10,12,14,17-18H,3-4,6-7,11,13,15H2,1-2H3
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 56n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme

J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50470731
PNG
(CHEMBL146946)
Show SMILES COC(=O)N1CC[C@@H](C1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C18H25NO4/c1-21-16-8-7-13(11-17(16)23-15-5-3-4-6-15)14-9-10-19(12-14)18(20)22-2/h7-8,11,14-15H,3-6,9-10,12H2,1-2H3/t14-/m0/s1
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 59n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme

J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50285050
PNG
(CHEMBL59386 | methyl 3-(3-cyclopentyloxy-4-methoxy...)
Show SMILES COC(=O)N1C[C@H]([C@@H](C1)[N+]([O-])=O)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C18H24N2O6/c1-24-16-8-7-12(9-17(16)26-13-5-3-4-6-13)14-10-19(18(21)25-2)11-15(14)20(22)23/h7-9,13-15H,3-6,10-11H2,1-2H3/t14-,15+/m0/s1
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 60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)

Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50470736
PNG
(CHEMBL37029)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H29NO4/c1-27-22-12-11-19(15-23(22)29-21-9-5-6-10-21)20-13-14-25(16-20)24(26)28-17-18-7-3-2-4-8-18/h2-4,7-8,11-12,15,20-21H,5-6,9-10,13-14,16-17H2,1H3
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 60n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme

J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50029955
PNG
((7R,7aR)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-hex...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@@H]1CCC2=O
Show InChI InChI=1S/C19H25NO3/c1-22-17-8-6-13(12-18(17)23-14-4-2-3-5-14)15-10-11-20-16(15)7-9-19(20)21/h6,8,12,14-16H,2-5,7,9-11H2,1H3/t15-,16-/m1/s1
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 63n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B

J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50470740
PNG
(CHEMBL264851)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)OC(C)C
Show InChI InChI=1S/C20H29NO4/c1-14(2)24-20(22)21-11-10-16(13-21)15-8-9-18(23-3)19(12-15)25-17-6-4-5-7-17/h8-9,12,14,16-17H,4-7,10-11,13H2,1-3H3
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 65n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme

J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50470754
PNG
(CHEMBL288928)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H27NO3/c1-26-21-12-11-18(15-22(21)27-20-9-5-6-10-20)19-13-14-24(16-19)23(25)17-7-3-2-4-8-17/h2-4,7-8,11-12,15,19-20H,5-6,9-10,13-14,16H2,1H3
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 68n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme

J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50029951
PNG
((7R,7aS)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-tet...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@@H]1COC2=O
Show InChI InChI=1S/C18H23NO4/c1-21-16-7-6-12(10-17(16)23-13-4-2-3-5-13)14-8-9-19-15(14)11-22-18(19)20/h6-7,10,13-15H,2-5,8-9,11H2,1H3/t14-,15-/m1/s1
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 70n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B

J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50470743
PNG
(CHEMBL422578)
Show SMILES CCOC(=O)N1CCC(C1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C19H27NO4/c1-3-23-19(21)20-11-10-15(13-20)14-8-9-17(22-2)18(12-14)24-16-6-4-5-7-16/h8-9,12,15-16H,3-7,10-11,13H2,1-2H3
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 71n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme

J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50470725
PNG
(CHEMBL36318)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(=O)c1cccs1
Show InChI InChI=1S/C21H25NO3S/c1-24-18-9-8-15(13-19(18)25-17-5-2-3-6-17)16-10-11-22(14-16)21(23)20-7-4-12-26-20/h4,7-9,12-13,16-17H,2-3,5-6,10-11,14H2,1H3
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 71n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme

J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM14377
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-cyan...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C#N)cc1OC1CCCC1
Show InChI InChI=1S/C29H32N6O3/c1-29(2,37-17-20-10-8-19(15-30)9-11-20)28-33-25-26(31)32-18-35(27(25)34-28)16-21-12-13-23(36-3)24(14-21)38-22-6-4-5-7-22/h8-14,18,22H,4-7,16-17,31H2,1-3H3
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 71.3n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...

J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50314583
PNG
((4-(3-(1,2-dimethyl-7-(3-nitrophenyl)-1H-pyrrolo[3...)
Show SMILES Cc1cc2c(NCCCN3CCN(CC3)C(=O)c3cnccn3)nnc(-c3cccc(c3)[N+]([O-])=O)c2n1C
Show InChI InChI=1S/C26H29N9O3/c1-18-15-21-24(32(18)2)23(19-5-3-6-20(16-19)35(37)38)30-31-25(21)29-7-4-10-33-11-13-34(14-12-33)26(36)22-17-27-8-9-28-22/h3,5-6,8-9,15-17H,4,7,10-14H2,1-2H3,(H,29,31)
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 77n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting

Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50285057
PNG
(CHEMBL61876 | tert-butyl 3-(3-cyclopentyloxy-4-met...)
Show SMILES COC[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H35NO5/c1-23(2,3)29-22(25)24-13-17(15-26-4)19(14-24)16-10-11-20(27-5)21(12-16)28-18-8-6-7-9-18/h10-12,17-19H,6-9,13-15H2,1-5H3/t17-,19-/m0/s1
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 80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)

Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50285041
PNG
(CHEMBL301053 | methyl 3-cyano-4-(3-cyclopentyloxy-...)
Show SMILES COC(=O)N1C[C@@H](C#N)[C@@H](C1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C19H24N2O4/c1-23-17-8-7-13(9-18(17)25-15-5-3-4-6-15)16-12-21(19(22)24-2)11-14(16)10-20/h7-9,14-16H,3-6,11-12H2,1-2H3/t14-,16+/m1/s1
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 80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)

Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50470735
PNG
(CHEMBL287687)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCN(C1)C(C)=O
Show InChI InChI=1S/C18H25NO3/c1-13(20)19-10-9-15(12-19)14-7-8-17(21-2)18(11-14)22-16-5-3-4-6-16/h7-8,11,15-16H,3-6,9-10,12H2,1-2H3
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 89n/an/an/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme

J Med Chem 38: 1505-10 (1995)


Article DOI: 10.1021/jm00009a011
BindingDB Entry DOI: 10.7270/Q2833VRG
More data for this
Ligand-Target Pair
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