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PubMed code 23375225

Compile data set for download or QSAR
Found 11 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))
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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Article
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n/an/a 0.800n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 assessed as decrease in cAMP hydrolysis preincubated with substrate prior to enzyme addition measured after 30...


Bioorg Med Chem Lett 23: 1548-52 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.058
BindingDB Entry DOI: 10.7270/Q2WM1FRH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50429689
PNG
(CHEMBL2335411)
Show SMILES COc1ccc(cc1OCCCCCCNCC(O)c1ccc(O)c(CO)c1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C28H33Cl2N3O6/c1-38-25-9-7-19(28(37)33-27-21(29)14-32-15-22(27)30)13-26(25)39-11-5-3-2-4-10-31-16-24(36)18-6-8-23(35)20(12-18)17-34/h6-9,12-15,24,31,34-36H,2-5,10-11,16-17H2,1H3,(H,32,33,37)
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n/an/a 235n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 assessed as decrease in cAMP hydrolysis preincubated with substrate prior to enzyme addition measured after 30...


Bioorg Med Chem Lett 23: 1548-52 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.058
BindingDB Entry DOI: 10.7270/Q2WM1FRH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50429685
PNG
(CHEMBL2335415)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCCNCC(O)c2ccc(O)c(CO)c2)C(=O)C2CCCCC12 |t:11|
Show InChI InChI=1S/C31H43N3O6/c1-39-28-14-12-22(18-29(28)40-2)30-24-9-5-6-10-25(24)31(38)34(33-30)16-8-4-3-7-15-32-19-27(37)21-11-13-26(36)23(17-21)20-35/h11-14,17-18,24-25,27,32,35-37H,3-10,15-16,19-20H2,1-2H3
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n/an/a 263n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 assessed as decrease in cAMP hydrolysis preincubated with substrate prior to enzyme addition measured after 30...


Bioorg Med Chem Lett 23: 1548-52 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.058
BindingDB Entry DOI: 10.7270/Q2WM1FRH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50429686
PNG
(CHEMBL2335414)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC(O)c2ccc(O)c(CO)c2)C(=O)C2CCCCC12 |t:11|
Show InChI InChI=1S/C30H41N3O6/c1-38-27-13-11-21(17-28(27)39-2)29-23-8-4-5-9-24(23)30(37)33(32-29)15-7-3-6-14-31-18-26(36)20-10-12-25(35)22(16-20)19-34/h10-13,16-17,23-24,26,31,34-36H,3-9,14-15,18-19H2,1-2H3
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n/an/a 271n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 assessed as decrease in cAMP hydrolysis preincubated with substrate prior to enzyme addition measured after 30...


Bioorg Med Chem Lett 23: 1548-52 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.058
BindingDB Entry DOI: 10.7270/Q2WM1FRH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50429687
PNG
(CHEMBL2335413)
Show SMILES COc1ccc(cc1OC)C1=NN(CCCCNCC(O)c2ccc(O)c(CO)c2)C(=O)C2CCCCC12 |t:11|
Show InChI InChI=1S/C29H39N3O6/c1-37-26-12-10-20(16-27(26)38-2)28-22-7-3-4-8-23(22)29(36)32(31-28)14-6-5-13-30-17-25(35)19-9-11-24(34)21(15-19)18-33/h9-12,15-16,22-23,25,30,33-35H,3-8,13-14,17-18H2,1-2H3
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n/an/a 278n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 assessed as decrease in cAMP hydrolysis preincubated with substrate prior to enzyme addition measured after 30...


Bioorg Med Chem Lett 23: 1548-52 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.058
BindingDB Entry DOI: 10.7270/Q2WM1FRH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50429688
PNG
(CHEMBL2335412)
Show SMILES COc1ccc(cc1OC)C1=NN(CCNCC(O)c2ccc(O)c(CO)c2)C(=O)C2CCCCC12 |t:11|
Show InChI InChI=1S/C27H35N3O6/c1-35-24-10-8-18(14-25(24)36-2)26-20-5-3-4-6-21(20)27(34)30(29-26)12-11-28-15-23(33)17-7-9-22(32)19(13-17)16-31/h7-10,13-14,20-21,23,28,31-33H,3-6,11-12,15-16H2,1-2H3
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n/an/a 282n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 assessed as decrease in cAMP hydrolysis preincubated with substrate prior to enzyme addition measured after 30...


Bioorg Med Chem Lett 23: 1548-52 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.058
BindingDB Entry DOI: 10.7270/Q2WM1FRH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50429690
PNG
(CHEMBL2335410)
Show SMILES COc1ccc(cc1OCCCCCNCC(O)c1ccc(O)c(CO)c1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C27H31Cl2N3O6/c1-37-24-8-6-18(27(36)32-26-20(28)13-31-14-21(26)29)12-25(24)38-10-4-2-3-9-30-15-23(35)17-5-7-22(34)19(11-17)16-33/h5-8,11-14,23,30,33-35H,2-4,9-10,15-16H2,1H3,(H,31,32,36)
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n/an/a 394n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 assessed as decrease in cAMP hydrolysis preincubated with substrate prior to enzyme addition measured after 30...


Bioorg Med Chem Lett 23: 1548-52 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.058
BindingDB Entry DOI: 10.7270/Q2WM1FRH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50042058
PNG
((-)-rolipram | (4R)-4-[3-(cyclopentyloxy)-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CNC(=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)/t12-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 assessed as decrease in cAMP hydrolysis preincubated with substrate prior to enzyme addition measured after 30...


Bioorg Med Chem Lett 23: 1548-52 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.058
BindingDB Entry DOI: 10.7270/Q2WM1FRH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50365055
PNG
(CHEMBL82318)
Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CCCCC12 |t:11|
Show InChI InChI=1S/C16H20N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h7-9,11-12H,3-6H2,1-2H3,(H,18,19)
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n/an/a 520n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 assessed as decrease in cAMP hydrolysis preincubated with substrate prior to enzyme addition measured after 30...


Bioorg Med Chem Lett 23: 1548-52 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.058
BindingDB Entry DOI: 10.7270/Q2WM1FRH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50429691
PNG
(CHEMBL2335409)
Show SMILES COc1ccc(cc1OCCCCNCC(O)c1ccc(O)c(CO)c1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C26H29Cl2N3O6/c1-36-23-7-5-17(26(35)31-25-19(27)12-30-13-20(25)28)11-24(23)37-9-3-2-8-29-14-22(34)16-4-6-21(33)18(10-16)15-32/h4-7,10-13,22,29,32-34H,2-3,8-9,14-15H2,1H3,(H,30,31,35)
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n/an/a 601n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 assessed as decrease in cAMP hydrolysis preincubated with substrate prior to enzyme addition measured after 30...


Bioorg Med Chem Lett 23: 1548-52 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.058
BindingDB Entry DOI: 10.7270/Q2WM1FRH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50429692
PNG
(CHEMBL2335408)
Show SMILES COc1ccc(cc1OCCCNCC(O)c1ccc(O)c(CO)c1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C25H27Cl2N3O6/c1-35-22-6-4-16(25(34)30-24-18(26)11-29-12-19(24)27)10-23(22)36-8-2-7-28-13-21(33)15-3-5-20(32)17(9-15)14-31/h3-6,9-12,21,28,31-33H,2,7-8,13-14H2,1H3,(H,29,30,34)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 assessed as decrease in cAMP hydrolysis preincubated with substrate prior to enzyme addition measured after 30...


Bioorg Med Chem Lett 23: 1548-52 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.058
BindingDB Entry DOI: 10.7270/Q2WM1FRH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%