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PubMed code 26320621

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
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
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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n/an/a 1.30E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP as substrate after 30 mins

Bioorg Med Chem Lett 25: 4610-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.043
BindingDB Entry DOI: 10.7270/Q2DJ5HFS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50121853
PNG
(CHEMBL3617179)
Show SMILES COc1cc(ccc1O)C(=O)N1CCc2cc(OC)c(OC3CCCC3)cc2C1
Show InChI InChI=1S/C23H27NO5/c1-27-20-12-16(7-8-19(20)25)23(26)24-10-9-15-11-21(28-2)22(13-17(15)14-24)29-18-5-3-4-6-18/h7-8,11-13,18,25H,3-6,9-10,14H2,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP as substrate after 30 mins

Bioorg Med Chem Lett 25: 4610-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.043
BindingDB Entry DOI: 10.7270/Q2DJ5HFS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50121851
PNG
(CHEMBL3617177)
Show SMILES COc1cc2CCN(Cc2cc1OC1CCCC1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C22H24ClNO3/c1-26-20-12-15-10-11-24(22(25)18-8-4-5-9-19(18)23)14-16(15)13-21(20)27-17-6-2-3-7-17/h4-5,8-9,12-13,17H,2-3,6-7,10-11,14H2,1H3
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n/an/a 1.55E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP as substrate after 30 mins

Bioorg Med Chem Lett 25: 4610-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.043
BindingDB Entry DOI: 10.7270/Q2DJ5HFS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50121857
PNG
(CHEMBL3617183)
Show SMILES COc1cc2CCN(Cc2cc1OC1CCCC1)C(=O)c1ccncc1
Show InChI InChI=1S/C21H24N2O3/c1-25-19-12-16-8-11-23(21(24)15-6-9-22-10-7-15)14-17(16)13-20(19)26-18-4-2-3-5-18/h6-7,9-10,12-13,18H,2-5,8,11,14H2,1H3
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n/an/a 1.57E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP as substrate after 30 mins

Bioorg Med Chem Lett 25: 4610-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.043
BindingDB Entry DOI: 10.7270/Q2DJ5HFS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50121850
PNG
(CHEMBL3617176)
Show SMILES COc1cc2CCN(Cc2cc1OC1CCCC1)C(=O)c1ccccc1F
Show InChI InChI=1S/C22H24FNO3/c1-26-20-12-15-10-11-24(22(25)18-8-4-5-9-19(18)23)14-16(15)13-21(20)27-17-6-2-3-7-17/h4-5,8-9,12-13,17H,2-3,6-7,10-11,14H2,1H3
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n/an/a 2.33E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP as substrate after 30 mins

Bioorg Med Chem Lett 25: 4610-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.043
BindingDB Entry DOI: 10.7270/Q2DJ5HFS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50121849
PNG
(CHEMBL3617175)
Show SMILES COc1cc2CCN(Cc2cc1OC1CCCC1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H25NO3/c1-25-20-13-17-11-12-23(22(24)16-7-3-2-4-8-16)15-18(17)14-21(20)26-19-9-5-6-10-19/h2-4,7-8,13-14,19H,5-6,9-12,15H2,1H3
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n/an/a 2.35E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP as substrate after 30 mins

Bioorg Med Chem Lett 25: 4610-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.043
BindingDB Entry DOI: 10.7270/Q2DJ5HFS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50121855
PNG
(CHEMBL3617181)
Show SMILES COc1cc(CN2CCc3cc(OC)c(OC4CCCC4)cc3C2)ccc1O
Show InChI InChI=1S/C23H29NO4/c1-26-21-11-16(7-8-20(21)25)14-24-10-9-17-12-22(27-2)23(13-18(17)15-24)28-19-5-3-4-6-19/h7-8,11-13,19,25H,3-6,9-10,14-15H2,1-2H3
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n/an/a 2.68E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP as substrate after 30 mins

Bioorg Med Chem Lett 25: 4610-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.043
BindingDB Entry DOI: 10.7270/Q2DJ5HFS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50121852
PNG
(CHEMBL3617178)
Show SMILES COc1cc2CCN(Cc2cc1OC1CCCC1)C(=O)c1ccccc1OC
Show InChI InChI=1S/C23H27NO4/c1-26-20-10-6-5-9-19(20)23(25)24-12-11-16-13-21(27-2)22(14-17(16)15-24)28-18-7-3-4-8-18/h5-6,9-10,13-14,18H,3-4,7-8,11-12,15H2,1-2H3
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n/an/a 3.70E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP as substrate after 30 mins

Bioorg Med Chem Lett 25: 4610-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.043
BindingDB Entry DOI: 10.7270/Q2DJ5HFS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50121856
PNG
(CHEMBL3617182)
Show SMILES COc1cc2CCN(Cc2cc1OC1CCCC1)C(=O)c1ccccn1
Show InChI InChI=1S/C21H24N2O3/c1-25-19-12-15-9-11-23(21(24)18-8-4-5-10-22-18)14-16(15)13-20(19)26-17-6-2-3-7-17/h4-5,8,10,12-13,17H,2-3,6-7,9,11,14H2,1H3
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n/an/a 3.79E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP as substrate after 30 mins

Bioorg Med Chem Lett 25: 4610-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.043
BindingDB Entry DOI: 10.7270/Q2DJ5HFS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50121858
PNG
(CHEMBL3617184)
Show SMILES COc1cc2CCN(Cc3ccncc3)Cc2cc1OC1CCCC1
Show InChI InChI=1S/C21H26N2O2/c1-24-20-12-17-8-11-23(14-16-6-9-22-10-7-16)15-18(17)13-21(20)25-19-4-2-3-5-19/h6-7,9-10,12-13,19H,2-5,8,11,14-15H2,1H3
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n/an/a 3.81E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP as substrate after 30 mins

Bioorg Med Chem Lett 25: 4610-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.043
BindingDB Entry DOI: 10.7270/Q2DJ5HFS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50121854
PNG
(CHEMBL3617180)
Show SMILES COc1cc2CCN(Cc3ccccc3F)Cc2cc1OC1CCCC1
Show InChI InChI=1S/C22H26FNO2/c1-25-21-12-16-10-11-24(14-17-6-2-5-9-20(17)23)15-18(16)13-22(21)26-19-7-3-4-8-19/h2,5-6,9,12-13,19H,3-4,7-8,10-11,14-15H2,1H3
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n/an/a 4.30E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP as substrate after 30 mins

Bioorg Med Chem Lett 25: 4610-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.043
BindingDB Entry DOI: 10.7270/Q2DJ5HFS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50121860
PNG
(CHEMBL3617186)
Show SMILES Cl.COc1cc2CCN(Cc2cc1OC1CCCC1)C(=O)[C@H]1CC[C@H](N)CC1 |r,wU:24.26,wD:21.22,(11.89,-1.18,;-4.01,2.77,;-4.01,1.54,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.25,-3.97,;-4.77,-5.43,;-3.23,-5.43,;-2.76,-3.96,;4,-1.54,;4,-2.77,;5.33,-.76,;6.67,-1.53,;8,-.75,;7.99,.79,;9.06,1.41,;6.66,1.55,;5.33,.78,)|
Show InChI InChI=1S/C22H32N2O3.ClH/c1-26-20-12-16-10-11-24(22(25)15-6-8-18(23)9-7-15)14-17(16)13-21(20)27-19-4-2-3-5-19;/h12-13,15,18-19H,2-11,14,23H2,1H3;1H/t15-,18-;
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n/an/a>5.00E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP as substrate after 30 mins

Bioorg Med Chem Lett 25: 4610-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.043
BindingDB Entry DOI: 10.7270/Q2DJ5HFS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50121859
PNG
(CHEMBL3617185)
Show SMILES COc1cc2CCN(Cc2cc1OC1CCCC1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 |r,t:23|
Show InChI InChI=1S/C22H29NO6/c1-28-19-10-13-6-7-23(22(27)14-8-17(24)21(26)18(25)9-14)12-15(13)11-20(19)29-16-4-2-3-5-16/h8,10-11,16-18,21,24-26H,2-7,9,12H2,1H3/t17-,18-,21-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



South China Agricultural University

Curated by ChEMBL


Assay Description
Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP as substrate after 30 mins

Bioorg Med Chem Lett 25: 4610-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.043
BindingDB Entry DOI: 10.7270/Q2DJ5HFS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%