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PubMed code 22963052

Compile data set for download or QSAR
Found 38 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
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50397078
PNG
(CHEMBL2171452)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
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n/an/a 1.20n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50397078
PNG
(CHEMBL2171452)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
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n/an/a 2.10n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397108
PNG
(CHEMBL85005)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C2CC=CCC12
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)
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n/an/a 4n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei TbrPDEB1


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50397078
PNG
(CHEMBL2171452)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
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n/an/a 4.60n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens)
BDBM50397078
PNG
(CHEMBL2171452)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
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n/an/a 10n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397078
PNG
(CHEMBL2171452)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
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n/an/a 49n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397078
PNG
(CHEMBL2171452)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
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n/an/a 55n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei His-tagged catalytic domains of TbrPDEB1 expressed in Escherichia coli BL21 assessed as conversion of cAMP to AMP af...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase PDEB1


(Leishmania major)
BDBM50397078
PNG
(CHEMBL2171452)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
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n/an/a 130n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proxim...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397079
PNG
(CHEMBL2171451)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)C#N)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H37N3O4/c1-30(2)28(32-33(29(30)34)24-10-6-4-5-7-11-24)23-14-17-26(35-3)27(20-23)37-19-9-8-18-36-25-15-12-22(21-31)13-16-25/h12-17,20,24H,4-11,18-19H2,1-3H3
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n/an/a 160n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397082
PNG
(CHEMBL2171460)
Show SMILES COc1ccc(cc1OCc1cccc2ccccc12)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H34N2O3/c1-30(2)28(31-32(29(30)33)24-14-6-4-5-7-15-24)22-17-18-26(34-3)27(19-22)35-20-23-13-10-12-21-11-8-9-16-25(21)23/h8-13,16-19,24H,4-7,14-15,20H2,1-3H3
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n/an/a 250n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397086
PNG
(CHEMBL2171456)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C(C)C)C(=O)C1(C)C
Show InChI InChI=1S/C26H32N6O4/c1-17(2)32-25(33)26(3,4)23(29-32)19-10-13-21(34-5)22(16-19)36-15-7-6-14-35-20-11-8-18(9-12-20)24-27-30-31-28-24/h8-13,16-17H,6-7,14-15H2,1-5H3,(H,27,28,30,31)
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n/an/a 400n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397106
PNG
(CHEMBL2171660)
Show SMILES COc1ccc(cc1OC1CCCC1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C24H34N2O3/c1-24(2)22(25-26(23(24)27)18-10-6-4-5-7-11-18)17-14-15-20(28-3)21(16-17)29-19-12-8-9-13-19/h14-16,18-19H,4-13H2,1-3H3
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n/an/a 410n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397081
PNG
(CHEMBL2171461)
Show SMILES COc1ccc(cc1OCc1ccccn1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C25H31N3O3/c1-25(2)23(27-28(24(25)29)20-11-6-4-5-7-12-20)18-13-14-21(30-3)22(16-18)31-17-19-10-8-9-15-26-19/h8-10,13-16,20H,4-7,11-12,17H2,1-3H3
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n/an/a 500n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397102
PNG
(CHEMBL2171664)
Show SMILES COc1ccc(cc1OCc1ccccc1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C26H32N2O3/c1-26(2)24(27-28(25(26)29)21-13-9-4-5-10-14-21)20-15-16-22(30-3)23(17-20)31-18-19-11-7-6-8-12-19/h6-8,11-12,15-17,21H,4-5,9-10,13-14,18H2,1-3H3
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n/an/a 500n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397080
PNG
(CHEMBL2171462)
Show SMILES COc1ccc(cc1OCc1cc(C)on1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C24H31N3O4/c1-16-13-18(26-31-16)15-30-21-14-17(11-12-20(21)29-4)22-24(2,3)23(28)27(25-22)19-9-7-5-6-8-10-19/h11-14,19H,5-10,15H2,1-4H3
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n/an/a 630n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397083
PNG
(CHEMBL2171459)
Show SMILES COc1ccc(CCOc2cc(ccc2OC)C2=NN(C3CCCCCC3)C(=O)C2(C)C)cc1
Show InChI InChI=1S/C28H36N2O4/c1-28(2)26(29-30(27(28)31)22-9-7-5-6-8-10-22)21-13-16-24(33-4)25(19-21)34-18-17-20-11-14-23(32-3)15-12-20/h11-16,19,22H,5-10,17-18H2,1-4H3
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n/an/a 630n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397090
PNG
(CHEMBL2171658)
Show SMILES COc1ccc(cc1OCc1cccc2ccccc12)C1=NN(C(C)C)C(=O)C1(C)C
Show InChI InChI=1S/C26H28N2O3/c1-17(2)28-25(29)26(3,4)24(27-28)19-13-14-22(30-5)23(15-19)31-16-20-11-8-10-18-9-6-7-12-21(18)20/h6-15,17H,16H2,1-5H3
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n/an/a 790n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397084
PNG
(CHEMBL2171458)
Show SMILES COc1ccc(COc2cc(ccc2OC)C2=NN(C3CCCCCC3)C(=O)C2(C)C)cc1
Show InChI InChI=1S/C27H34N2O4/c1-27(2)25(28-29(26(27)30)21-9-7-5-6-8-10-21)20-13-16-23(32-4)24(17-20)33-18-19-11-14-22(31-3)15-12-19/h11-17,21H,5-10,18H2,1-4H3
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VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397091
PNG
(CHEMBL2171657)
Show SMILES COc1ccc(CCOc2cc(ccc2OC)C2=NN(C(C)C)C(=O)C2(C)C)cc1
Show InChI InChI=1S/C24H30N2O4/c1-16(2)26-23(27)24(3,4)22(25-26)18-9-12-20(29-6)21(15-18)30-14-13-17-7-10-19(28-5)11-8-17/h7-12,15-16H,13-14H2,1-6H3
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n/an/a 830n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397085
PNG
(CHEMBL2171457)
Show SMILES COc1ccc(cc1OCc1ccc(cc1)C#N)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C27H31N3O3/c1-27(2)25(29-30(26(27)31)22-8-6-4-5-7-9-22)21-14-15-23(32-3)24(16-21)33-18-20-12-10-19(17-28)11-13-20/h10-16,22H,4-9,18H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397103
PNG
(CHEMBL2171663)
Show SMILES COc1ccc(cc1OCc1ccccc1)C1=NN(C(C)C)C(=O)C1(C)C
Show InChI InChI=1S/C22H26N2O3/c1-15(2)24-21(25)22(3,4)20(23-24)17-11-12-18(26-5)19(13-17)27-14-16-9-7-6-8-10-16/h6-13,15H,14H2,1-5H3
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VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397092
PNG
(CHEMBL2171656)
Show SMILES COc1ccc(COc2cc(ccc2OC)C2=NN(C(C)C)C(=O)C2(C)C)cc1
Show InChI InChI=1S/C23H28N2O4/c1-15(2)25-22(26)23(3,4)21(24-25)17-9-12-19(28-6)20(13-17)29-14-16-7-10-18(27-5)11-8-16/h7-13,15H,14H2,1-6H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397093
PNG
(CHEMBL2171655)
Show SMILES COc1ccc(cc1OCc1ccc(cc1)C#N)C1=NN(C(C)C)C(=O)C1(C)C
Show InChI InChI=1S/C23H25N3O3/c1-15(2)26-22(27)23(3,4)21(25-26)18-10-11-19(28-5)20(12-18)29-14-17-8-6-16(13-24)7-9-17/h6-12,15H,14H2,1-5H3
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VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397097
PNG
(CHEMBL2171651)
Show SMILES COc1ccc(cc1Cl)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C19H25ClN2O2/c1-19(2)17(13-10-11-16(24-3)15(20)12-13)21-22(18(19)23)14-8-6-4-5-7-9-14/h10-12,14H,4-9H2,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397094
PNG
(CHEMBL2171654)
Show SMILES COc1ccc(cc1Br)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C19H25BrN2O2/c1-19(2)17(13-10-11-16(24-3)15(20)12-13)21-22(18(19)23)14-8-6-4-5-7-9-14/h10-12,14H,4-9H2,1-3H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397089
PNG
(CHEMBL2171453)
Show SMILES COc1ccc(cc1OCc1ccccn1)C1=NN(C(C)C)C(=O)C1(C)C
Show InChI InChI=1S/C21H25N3O3/c1-14(2)24-20(25)21(3,4)19(23-24)15-9-10-17(26-5)18(12-15)27-13-16-8-6-7-11-22-16/h6-12,14H,13H2,1-5H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397087
PNG
(CHEMBL2171455)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)C#N)C1=NN(C(C)C)C(=O)C1(C)C
Show InChI InChI=1S/C26H31N3O4/c1-18(2)29-25(30)26(3,4)24(28-29)20-10-13-22(31-5)23(16-20)33-15-7-6-14-32-21-11-8-19(17-27)9-12-21/h8-13,16,18H,6-7,14-15H2,1-5H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397088
PNG
(CHEMBL2171454)
Show SMILES COc1ccc(cc1OCc1cc(C)on1)C1=NN(C(C)C)C(=O)C1(C)C
Show InChI InChI=1S/C20H25N3O4/c1-12(2)23-19(24)20(4,5)18(21-23)14-7-8-16(25-6)17(10-14)26-11-15-9-13(3)27-22-15/h7-10,12H,11H2,1-6H3
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VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397105
PNG
(CHEMBL2171661)
Show SMILES COc1ccc(cc1OCc1ccccc1)C1=NNC(=O)C1(C)C
Show InChI InChI=1S/C19H20N2O3/c1-19(2)17(20-21-18(19)22)14-9-10-15(23-3)16(11-14)24-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,21,22)
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n/an/a 6.30E+3n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397104
PNG
(CHEMBL2171662)
Show SMILES COc1ccc(cc1OCc1ccccc1)C1=NN(C)C(=O)C1(C)C
Show InChI InChI=1S/C20H22N2O3/c1-20(2)18(21-22(3)19(20)23)15-10-11-16(24-4)17(12-15)25-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3
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VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397099
PNG
(CHEMBL2171465)
Show SMILES COc1ccc(cc1Cl)C1=NNC(=O)C1(C)C
Show InChI InChI=1S/C12H13ClN2O2/c1-12(2)10(14-15-11(12)16)7-4-5-9(17-3)8(13)6-7/h4-6H,1-3H3,(H,15,16)
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VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397095
PNG
(CHEMBL2171653)
Show SMILES COc1ccc(cc1Br)C1=NN(C(C)C)C(=O)C1(C)C
Show InChI InChI=1S/C15H19BrN2O2/c1-9(2)18-14(19)15(3,4)13(17-18)10-6-7-12(20-5)11(16)8-10/h6-9H,1-5H3
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VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397101
PNG
(CHEMBL2171463)
Show SMILES COc1ccc(cc1O)C1=NN(C(C)C)C(=O)C1(C)C
Show InChI InChI=1S/C15H20N2O3/c1-9(2)17-14(19)15(3,4)13(16-17)10-6-7-12(20-5)11(18)8-10/h6-9,18H,1-5H3
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VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397098
PNG
(CHEMBL2171650)
Show SMILES COc1ccc(cc1Cl)C1=NN(C(C)C)C(=O)C1(C)C
Show InChI InChI=1S/C15H19ClN2O2/c1-9(2)18-14(19)15(3,4)13(17-18)10-6-7-12(20-5)11(16)8-10/h6-9H,1-5H3
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VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397100
PNG
(CHEMBL2171464)
Show SMILES COc1ccc(cc1O)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C19H26N2O3/c1-19(2)17(13-10-11-16(24-3)15(22)12-13)20-21(18(19)23)14-8-6-4-5-7-9-14/h10-12,14,22H,4-9H2,1-3H3
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VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397096
PNG
(CHEMBL2171652)
Show SMILES COc1ccc(cc1Br)C1=NNC(=O)C1(C)C
Show InChI InChI=1S/C12H13BrN2O2/c1-12(2)10(14-15-11(12)16)7-4-5-9(17-3)8(13)6-7/h4-6H,1-3H3,(H,15,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397107
PNG
(CHEMBL2171659)
Show SMILES COc1ccc(cc1OC1CCCC1)C1=NNC(=O)C1(C)C
Show InChI InChI=1S/C17H22N2O3/c1-17(2)15(18-19-16(17)20)11-8-9-13(21-3)14(10-11)22-12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H,19,20)
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n/an/a 1.20E+4n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
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>1.00E+5n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%