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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50045193   
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))
BDBM50049407
PNG
(CHEMBL3315271 | US11401286, Example 51)
Show SMILES CCc1nc(Nc2ccc(cc2)C#N)nc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H14ClN5/c1-2-16-22-17(13-4-3-5-14(19)10-13)24-18(23-16)21-15-8-6-12(11-20)7-9-15/h3-10H,2H2,1H3,(H,21,22,23,24)
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n/an/a 12n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049410
PNG
(CHEMBL3315265 | US11401286, Example 41)
Show SMILES OC(=O)c1ccc(Nc2nc(nc(n2)-c2cccc(Cl)c2)C2CC2)cc1
Show InChI InChI=1S/C19H15ClN4O2/c20-14-3-1-2-13(10-14)17-22-16(11-4-5-11)23-19(24-17)21-15-8-6-12(7-9-15)18(25)26/h1-3,6-11H,4-5H2,(H,25,26)(H,21,22,23,24)
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n/an/a 46n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049416
PNG
(CHEMBL3315273)
Show SMILES CCc1nc(Nc2ccc(Cc3nnn[nH]3)cc2)nc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H17ClN8/c1-2-16-22-18(13-4-3-5-14(20)11-13)24-19(23-16)21-15-8-6-12(7-9-15)10-17-25-27-28-26-17/h3-9,11H,2,10H2,1H3,(H,21,22,23,24)(H,25,26,27,28)
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n/an/a 69n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049417
PNG
(CHEMBL3315272)
Show SMILES CCc1nc(Nc2ccc(cc2)-c2nnn[nH]2)nc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H15ClN8/c1-2-15-21-16(12-4-3-5-13(19)10-12)23-18(22-15)20-14-8-6-11(7-9-14)17-24-26-27-25-17/h3-10H,2H2,1H3,(H,20,21,22,23)(H,24,25,26,27)
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n/an/a 126n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049415
PNG
(CHEMBL3315267 | US11401286, Example 49)
Show SMILES Clc1cccc(c1)C1=NC(NC2CCC(=O)NC2)=NC(N1)C1CC1 |c:19,t:8|
Show InChI InChI=1S/C17H20ClN5O/c18-12-3-1-2-11(8-12)16-21-15(10-4-5-10)22-17(23-16)20-13-6-7-14(24)19-9-13/h1-3,8,10,13,15H,4-7,9H2,(H,19,24)(H2,20,21,22,23)
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n/an/a 135n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049411
PNG
(CHEMBL3315266 | US11401286, Example 38)
Show SMILES OC(=O)c1ccc(Nc2nc(nc(n2)-c2ccc(Cl)cc2)C2CC2)cc1
Show InChI InChI=1S/C19H15ClN4O2/c20-14-7-3-12(4-8-14)17-22-16(11-1-2-11)23-19(24-17)21-15-9-5-13(6-10-15)18(25)26/h3-11H,1-2H2,(H,25,26)(H,21,22,23,24)
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n/an/a 135n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049413
PNG
(CHEMBL3313945 | US11401286, Example 52)
Show SMILES CCc1nc(Nc2ccc(CC#N)cc2)nc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN5/c1-2-17-23-18(14-4-3-5-15(20)12-14)25-19(24-17)22-16-8-6-13(7-9-16)10-11-21/h3-9,12H,2,10H2,1H3,(H,22,23,24,25)
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n/an/a 165n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049406
PNG
(CHEMBL3315263 | US11401286, Example 29)
Show SMILES CC(C)c1nc(Nc2ccc(cc2)C(O)=O)nc(n1)-c1ccc(Cl)s1
Show InChI InChI=1S/C17H15ClN4O2S/c1-9(2)14-20-15(12-7-8-13(18)25-12)22-17(21-14)19-11-5-3-10(4-6-11)16(23)24/h3-9H,1-2H3,(H,23,24)(H,19,20,21,22)
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n/an/a 220n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049146
PNG
(CHEMBL3315251 | US11401286, Example 36)
Show SMILES OC(=O)Cc1ccc(Nc2nc(nc(n2)-c2cccc(Cl)c2)C2CC2)cc1
Show InChI InChI=1S/C20H17ClN4O2/c21-15-3-1-2-14(11-15)19-23-18(13-6-7-13)24-20(25-19)22-16-8-4-12(5-9-16)10-17(26)27/h1-5,8-9,11,13H,6-7,10H2,(H,26,27)(H,22,23,24,25)
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n/an/a 237n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049408
PNG
(CHEMBL3315270 | US11401286, Example 40)
Show SMILES CCc1nc(Nc2ccc(cc2)C(O)=O)nc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H15ClN4O2/c1-2-15-21-16(12-4-3-5-13(19)10-12)23-18(22-15)20-14-8-6-11(7-9-14)17(24)25/h3-10H,2H2,1H3,(H,24,25)(H,20,21,22,23)
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n/an/a 241n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049102
PNG
(CHEMBL3315250 | US11401286, Example 34)
Show SMILES OC(=O)Cc1ccc(Nc2nc(nc(n2)-c2ccc(Cl)s2)C2CC2)cc1
Show InChI InChI=1S/C18H15ClN4O2S/c19-14-8-7-13(26-14)17-21-16(11-3-4-11)22-18(23-17)20-12-5-1-10(2-6-12)9-15(24)25/h1-2,5-8,11H,3-4,9H2,(H,24,25)(H,20,21,22,23)
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n/an/a 251n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049211
PNG
(CHEMBL3315261 | US11401286, Example 30)
Show SMILES CCc1nc(Nc2ccc(cc2)C(O)=O)nc(n1)-c1ccc(Cl)s1
Show InChI InChI=1S/C16H13ClN4O2S/c1-2-13-19-14(11-7-8-12(17)24-11)21-16(20-13)18-10-5-3-9(4-6-10)15(22)23/h3-8H,2H2,1H3,(H,22,23)(H,18,19,20,21)
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n/an/a 261n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049070
PNG
(CHEMBL3315248 | US11401286, Example 27)
Show SMILES CCc1nc(Nc2ccc(CC(O)=O)cc2)nc(n1)-c1ccc(Cl)s1
Show InChI InChI=1S/C17H15ClN4O2S/c1-2-14-20-16(12-7-8-13(18)25-12)22-17(21-14)19-11-5-3-10(4-6-11)9-15(23)24/h3-8H,2,9H2,1H3,(H,23,24)(H,19,20,21,22)
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n/an/a 383n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049412
PNG
(CHEMBL3315274)
Show SMILES CCc1nc(Nc2ccc(NS(N)(=O)=O)cc2)nc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H17ClN6O2S/c1-2-15-21-16(11-4-3-5-12(18)10-11)23-17(22-15)20-13-6-8-14(9-7-13)24-27(19,25)26/h3-10,24H,2H2,1H3,(H2,19,25,26)(H,20,21,22,23)
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n/an/a 402n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049409
PNG
(CHEMBL3315269 | US11401286, Example 39)
Show SMILES CCc1nc(Nc2ccc(CC(O)=O)cc2)nc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H17ClN4O2/c1-2-16-22-18(13-4-3-5-14(20)11-13)24-19(23-16)21-15-8-6-12(7-9-15)10-17(25)26/h3-9,11H,2,10H2,1H3,(H,25,26)(H,21,22,23,24)
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n/an/a 781n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049153
PNG
(CHEMBL3315258)
Show SMILES OC(=O)Cc1ccc(CNc2nc(nc(n2)-c2cccc(Cl)c2)C2CC2)cc1
Show InChI InChI=1S/C21H19ClN4O2/c22-17-3-1-2-16(11-17)20-24-19(15-8-9-15)25-21(26-20)23-12-14-6-4-13(5-7-14)10-18(27)28/h1-7,11,15H,8-10,12H2,(H,27,28)(H,23,24,25,26)
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n/an/a 845n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049418
PNG
(CHEMBL3315275 | US11401286, Example 59)
Show SMILES CCc1nc(Nc2ccc(cc2)C(C)C(O)=O)nc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H19ClN4O2/c1-3-17-23-18(14-5-4-6-15(21)11-14)25-20(24-17)22-16-9-7-13(8-10-16)12(2)19(26)27/h4-12H,3H2,1-2H3,(H,26,27)(H,22,23,24,25)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049068
PNG
(CHEMBL3315246 | US11401286, Example 22)
Show SMILES Cc1nc(Nc2ccc(CC(O)=O)cc2)nc(n1)-c1ccc(Cl)s1
Show InChI InChI=1S/C16H13ClN4O2S/c1-9-18-15(12-6-7-13(17)24-12)21-16(19-9)20-11-4-2-10(3-5-11)8-14(22)23/h2-7H,8H2,1H3,(H,22,23)(H,18,19,20,21)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049253
PNG
(CHEMBL3315262 | US11401286, Example 28)
Show SMILES CCc1nc(Nc2ccc(F)cc2)nc(n1)-c1ccc(Cl)s1
Show InChI InChI=1S/C15H12ClFN4S/c1-2-13-19-14(11-7-8-12(16)22-11)21-15(20-13)18-10-5-3-9(17)4-6-10/h3-8H,2H2,1H3,(H,18,19,20,21)
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n/an/a 1.39E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049149
PNG
(CHEMBL3315254 | US11401286, Example 47)
Show SMILES OC(=O)Cc1ccc(Nc2nc(nc(n2)-c2cccc(F)c2)C2CC2)cc1
Show InChI InChI=1S/C20H17FN4O2/c21-15-3-1-2-14(11-15)19-23-18(13-6-7-13)24-20(25-19)22-16-8-4-12(5-9-16)10-17(26)27/h1-5,8-9,11,13H,6-7,10H2,(H,26,27)(H,22,23,24,25)
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n/an/a 1.44E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049150
PNG
(CHEMBL3315255)
Show SMILES CCc1nc(Nc2ccc(CC(O)=O)cc2)nc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN4O2/c1-2-16-22-18(13-5-7-14(20)8-6-13)24-19(23-16)21-15-9-3-12(4-10-15)11-17(25)26/h3-10H,2,11H2,1H3,(H,25,26)(H,21,22,23,24)
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n/an/a 1.46E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049419
PNG
(CHEMBL3315276 | US11401286, Example 60)
Show SMILES CCc1nc(Nc2ccc(cc2)C(C)(C)C(O)=O)nc(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H21ClN4O2/c1-4-17-24-18(13-6-5-7-15(22)12-13)26-20(25-17)23-16-10-8-14(9-11-16)21(2,3)19(27)28/h5-12H,4H2,1-3H3,(H,27,28)(H,23,24,25,26)
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n/an/a 1.57E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049194
PNG
(CHEMBL3315259 | US11401286, Example 43)
Show SMILES OC(=O)Cc1ccc(Oc2nc(nc(n2)-c2cccc(Cl)c2)C2CC2)cc1
Show InChI InChI=1S/C20H16ClN3O3/c21-15-3-1-2-14(11-15)19-22-18(13-6-7-13)23-20(24-19)27-16-8-4-12(5-9-16)10-17(25)26/h1-5,8-9,11,13H,6-7,10H2,(H,25,26)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049069
PNG
(CHEMBL3315247 | US11401286, Example 25)
Show SMILES CC(C)c1nc(Nc2ccc(CC(O)=O)cc2)nc(n1)-c1ccc(Cl)s1
Show InChI InChI=1S/C18H17ClN4O2S/c1-10(2)16-21-17(13-7-8-14(19)26-13)23-18(22-16)20-12-5-3-11(4-6-12)9-15(24)25/h3-8,10H,9H2,1-2H3,(H,24,25)(H,20,21,22,23)
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n/an/a 1.95E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049152
PNG
(CHEMBL3315257)
Show SMILES OC(=O)Cc1ccc(CNc2nc(nc(n2)-c2ccc(Cl)cc2)C2CC2)cc1
Show InChI InChI=1S/C21H19ClN4O2/c22-17-9-7-16(8-10-17)20-24-19(15-5-6-15)25-21(26-20)23-12-14-3-1-13(2-4-14)11-18(27)28/h1-4,7-10,15H,5-6,11-12H2,(H,27,28)(H,23,24,25,26)
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n/an/a 2.28E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049071
PNG
(CHEMBL3315249 | US11401286, Example 32)
Show SMILES CCCc1nc(Nc2ccc(CC(O)=O)cc2)nc(n1)-c1ccc(Cl)s1
Show InChI InChI=1S/C18H17ClN4O2S/c1-2-3-15-21-17(13-8-9-14(19)26-13)23-18(22-15)20-12-6-4-11(5-7-12)10-16(24)25/h4-9H,2-3,10H2,1H3,(H,24,25)(H,20,21,22,23)
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n/an/a 2.45E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049151
PNG
(CHEMBL3315256)
Show SMILES CCc1nc(Nc2ccc(CC(O)=O)cc2)nc(n1)-c1ccoc1
Show InChI InChI=1S/C17H16N4O3/c1-2-14-19-16(12-7-8-24-10-12)21-17(20-14)18-13-5-3-11(4-6-13)9-15(22)23/h3-8,10H,2,9H2,1H3,(H,22,23)(H,18,19,20,21)
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n/an/a 2.78E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049147
PNG
(CHEMBL3315252 | US11401286, Example 37)
Show SMILES OC(=O)Cc1ccc(Nc2nc(nc(n2)-c2ccc(Cl)cc2)C2CC2)cc1
Show InChI InChI=1S/C20H17ClN4O2/c21-15-7-5-14(6-8-15)19-23-18(13-3-4-13)24-20(25-19)22-16-9-1-12(2-10-16)11-17(26)27/h1-2,5-10,13H,3-4,11H2,(H,26,27)(H,22,23,24,25)
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n/an/a 3.77E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049208
PNG
(CHEMBL3315260 | US11401286, Example 31)
Show SMILES Cc1nc(Nc2ccc(cc2)C(O)=O)nc(n1)-c1ccc(Cl)s1
Show InChI InChI=1S/C15H11ClN4O2S/c1-8-17-13(11-6-7-12(16)23-11)20-15(18-8)19-10-4-2-9(3-5-10)14(21)22/h2-7H,1H3,(H,21,22)(H,17,18,19,20)
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n/an/a 4.05E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049414
PNG
(CHEMBL3315264 | US11401286, Example 26)
Show SMILES CC(C)c1nc(Nc2ccc(F)cc2)nc(n1)-c1ccc(Cl)s1
Show InChI InChI=1S/C16H14ClFN4S/c1-9(2)14-20-15(12-7-8-13(17)23-12)22-16(21-14)19-11-5-3-10(18)4-6-11/h3-9H,1-2H3,(H,19,20,21,22)
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n/an/a 8.82E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50049148
PNG
(CHEMBL3315253 | US11401286, Example 24)
Show SMILES Cc1nc(Nc2ccc(CC(O)=O)cc2)nc(n1)-c1ccco1
Show InChI InChI=1S/C16H14N4O3/c1-10-17-15(13-3-2-8-23-13)20-16(18-10)19-12-6-4-11(5-7-12)9-14(21)22/h2-8H,9H2,1H3,(H,21,22)(H,17,18,19,20)
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n/an/a 1.88E+4n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 24: 4031-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.002
BindingDB Entry DOI: 10.7270/Q2KD20KD
More data for this
Ligand-Target Pair