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Found 76 hits Enz. Inhib. hit(s) with Target = 'Class I phosphodiesterase B1 (TbrPDEB1)'   
Target
(Institution)
LigandTarget
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
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


Citation and Details
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50441529
PNG
(CHEMBL2436771)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@H]2CC=CC[C@@H]12
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+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PDEB1


Citation and Details
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50427452
PNG
(CHEMBL2326941)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
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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n/an/a 4n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei full length PDEB1 expressed in insect SF21 cells using cAMP as substrate by scintillation proximity assay


Citation and Details
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...


Citation and Details
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...


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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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50441528
PNG
(CHEMBL2436772)
Show SMILES COc1ccc(cc1OC1CCCC1)C1=NN(C[C@H]2CC=CC[C@@H]12)C1CCCC1
Show InChI InChI=1S/C25H34N2O2/c1-28-23-15-14-18(16-24(23)29-21-11-5-6-12-21)25-22-13-7-2-8-19(22)17-27(26-25)20-9-3-4-10-20/h2,7,14-16,19-22H,3-6,8-13,17H2,1H3/t19-,22-/m1/s1
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n/an/a 278n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PDEB1


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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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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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50058062
PNG
(CHEMBL3323128)
Show SMILES COc1ccc(cc1OCCCCOc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N
Show InChI InChI=1/C25H29NO5/c1-29-22-10-9-20(25(18-26)13-11-19(12-14-25)24(27)28)17-23(22)31-16-6-5-15-30-21-7-3-2-4-8-21/h2-4,7-10,17,19H,5-6,11-16H2,1H3,(H,27,28)/t19-,25-
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n/an/a 950n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition


Citation and Details
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...


Citation and Details
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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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...


Citation and Details
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...


Citation and Details
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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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...


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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...


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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...


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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...


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153391
PNG
(3-(3-carbamoyl-4-(3-methoxyphenylamino)-8-methylqu...)
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2cccc(c2)C(O)=O)C(N)=O)c1
Show InChI InChI=1S/C25H21N3O6S/c1-14-9-19(35(32,33)18-8-3-5-15(10-18)25(30)31)12-20-22(14)27-13-21(24(26)29)23(20)28-16-6-4-7-17(11-16)34-2/h3-13H,1-2H3,(H2,26,29)(H,27,28)(H,30,31)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Northeastern University



Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25然 cAMP (Enzo Lifesci...


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153402
PNG
(4-((3-Methoxyphenyl)amino)-8-methyl-6-(1-methyl-1H...)
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)-c2ccc3cnn(C)c3c2)C(N)=O)c1
Show InChI InChI=1S/C26H23N5O2/c1-15-9-18(16-7-8-17-13-29-31(2)23(17)11-16)10-21-24(15)28-14-22(26(27)32)25(21)30-19-5-4-6-20(12-19)33-3/h4-14H,1-3H3,(H2,27,32)(H,28,30)
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n/an/a 3.10E+3n/an/an/an/an/an/a



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Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25然 cAMP (Enzo Lifesci...


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153390
PNG
(Methyl 3-(3-carbamoyl-4-(3-methoxyphenylamino)-8-m...)
Show SMILES COC(=O)c1cccc(c1)S(=O)(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cccc(OC)c3)c2c1
Show InChI InChI=1S/C26H23N3O6S/c1-15-10-20(36(32,33)19-9-4-6-16(11-19)26(31)35-3)13-21-23(15)28-14-22(25(27)30)24(21)29-17-7-5-8-18(12-17)34-2/h4-14H,1-3H3,(H2,27,30)(H,28,29)
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n/an/a 3.50E+3n/an/an/an/an/an/a



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Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25然 cAMP (Enzo Lifesci...


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50058066
PNG
(CHEMBL3323131)
Show SMILES COc1ccc(OCCCCOc2cc(ccc2OC)[C@]2(CC[C@@H](CC2)C(O)=O)C#N)cc1
Show InChI InChI=1/C26H31NO6/c1-30-21-6-8-22(9-7-21)32-15-3-4-16-33-24-17-20(5-10-23(24)31-2)26(18-27)13-11-19(12-14-26)25(28)29/h5-10,17,19H,3-4,11-16H2,1-2H3,(H,28,29)/t19-,26-
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n/an/a 3.50E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition


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Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153408
PNG
(8-Methyl-6-(1-methyl-1H-indazol-6-yl)-4-(m-tolylam...)
Show SMILES Cc1cccc(Nc2c(cnc3c(C)cc(cc23)-c2ccc3cnn(C)c3c2)C(N)=O)c1
Show InChI InChI=1S/C26H23N5O/c1-15-5-4-6-20(9-15)30-25-21-11-19(10-16(2)24(21)28-14-22(25)26(27)32)17-7-8-18-13-29-31(3)23(18)12-17/h4-14H,1-3H3,(H2,27,32)(H,28,30)
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n/an/a 3.50E+3n/an/an/an/an/an/a



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Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25然 cAMP (Enzo Lifesci...


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153407
PNG
(4-(3-Ethylphenylamino)-8-methyl-6-(1-methyl-1H-ind...)
Show SMILES CCc1cccc(Nc2c(cnc3c(C)cc(cc23)-c2ccc3cnn(C)c3c2)C(N)=O)c1
Show InChI InChI=1S/C27H25N5O/c1-4-17-6-5-7-21(11-17)31-26-22-12-20(10-16(2)25(22)29-15-23(26)27(28)33)18-8-9-19-14-30-32(3)24(19)13-18/h5-15H,4H2,1-3H3,(H2,28,33)(H,29,31)
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n/an/a 3.50E+3n/an/an/an/an/an/a



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Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25然 cAMP (Enzo Lifesci...


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50058067
PNG
(CHEMBL3323130)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)C#N)[C@]1(CC[C@@H](CC1)C(O)=O)C#N
Show InChI InChI=1/C26H28N2O5/c1-31-23-9-6-21(26(18-28)12-10-20(11-13-26)25(29)30)16-24(23)33-15-3-2-14-32-22-7-4-19(17-27)5-8-22/h4-9,16,20H,2-3,10-15H2,1H3,(H,29,30)/t20-,26-
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n/an/a 3.60E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153412
PNG
(8-Ethyl-4-((3-methoxyphenyl)amino)-6-(1-methyl-1H-...)
Show SMILES CCc1cc(cc2c(Nc3cccc(OC)c3)c(cnc12)C(N)=O)-c1ccc2cnn(C)c2c1
Show InChI InChI=1S/C27H25N5O2/c1-4-16-10-19(17-8-9-18-14-30-32(2)24(18)12-17)11-22-25(16)29-15-23(27(28)33)26(22)31-20-6-5-7-21(13-20)34-3/h5-15H,4H2,1-3H3,(H2,28,33)(H,29,31)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Northeastern University



Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25然 cAMP (Enzo Lifesci...


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153409
PNG
(4-(4-Methoxy-3-methylphenylamino)-8-methyl-6-(1-me...)
Show SMILES COc1ccc(Nc2c(cnc3c(C)cc(cc23)-c2ccc3cnn(C)c3c2)C(N)=O)cc1C
Show InChI InChI=1S/C27H25N5O2.CH2O2/c1-15-10-20(7-8-24(15)34-4)31-26-21-11-19(9-16(2)25(21)29-14-22(26)27(28)33)17-5-6-18-13-30-32(3)23(18)12-17;2-1-3/h5-14H,1-4H3,(H2,28,33)(H,29,31);1H,(H,2,3)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Northeastern University



Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25然 cAMP (Enzo Lifesci...


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153406
PNG
(4-((3-Ethoxyphenyl)amino)-8-methyl-6-(1-methyl-1H-...)
Show SMILES CCOc1cccc(Nc2c(cnc3c(C)cc(cc23)-c2ccc3cnn(C)c3c2)C(N)=O)c1
Show InChI InChI=1S/C27H25N5O2/c1-4-34-21-7-5-6-20(13-21)31-26-22-11-19(10-16(2)25(22)29-15-23(26)27(28)33)17-8-9-18-14-30-32(3)24(18)12-17/h5-15H,4H2,1-3H3,(H2,28,33)(H,29,31)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Northeastern University



Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25然 cAMP (Enzo Lifesci...


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50058065
PNG
(CHEMBL3323132)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C)cc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N
Show InChI InChI=1/C26H31NO5/c1-19-5-8-22(9-6-19)31-15-3-4-16-32-24-17-21(7-10-23(24)30-2)26(18-27)13-11-20(12-14-26)25(28)29/h5-10,17,20H,3-4,11-16H2,1-2H3,(H,28,29)/t20-,26-
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n/an/a 4.90E+3n/an/an/an/an/an/a



Northeastern University

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Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition


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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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VU University Amsterdam

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


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


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153401
PNG
(6-(1H-Indol-5-yl)-4-((3-methoxyphenyl)amino)-8-met...)
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)-c2ccc3[nH]ccc3c2)C(N)=O)c1
Show InChI InChI=1S/C26H22N4O2/c1-15-10-18(16-6-7-23-17(11-16)8-9-28-23)12-21-24(15)29-14-22(26(27)31)25(21)30-19-4-3-5-20(13-19)32-2/h3-14,28H,1-2H3,(H2,27,31)(H,29,30)
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n/an/a 5.90E+3n/an/an/an/an/an/a



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Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25然 cAMP (Enzo Lifesci...


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153399
PNG
(4-((3-Methoxyphenyl)amino)-8-methyl-6-(3-(oxazol-2...)
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)-c2cccc(c2)-c2ncco2)C(N)=O)c1
Show InChI InChI=1S/C27H22N4O3/c1-16-11-19(17-5-3-6-18(12-17)27-29-9-10-34-27)13-22-24(16)30-15-23(26(28)32)25(22)31-20-7-4-8-21(14-20)33-2/h3-15H,1-2H3,(H2,28,32)(H,30,31)
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In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25然 cAMP (Enzo Lifesci...


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Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153410
PNG
(4-(Cyclopentylamino)-8-methyl-6-(3-(oxazol-2-yl)ph...)
Show SMILES Cc1cc(cc2c(NC3CCCC3)c(cnc12)C(N)=O)-c1cccc(c1)-c1ncco1
Show InChI InChI=1S/C25H24N4O2/c1-15-11-18(16-5-4-6-17(12-16)25-27-9-10-31-25)13-20-22(15)28-14-21(24(26)30)23(20)29-19-7-2-3-8-19/h4-6,9-14,19H,2-3,7-8H2,1H3,(H2,26,30)(H,28,29)
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Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25然 cAMP (Enzo Lifesci...


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Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153398
PNG
(4-((3-Methoxyphenyl)amino)-8-methyl-6-(3-(5-methyl...)
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)-c2cccc(c2)-c2nnc(C)s2)C(N)=O)c1
Show InChI InChI=1S/C27H23N5O2S.CH2O2/c1-15-10-19(17-6-4-7-18(11-17)27-32-31-16(2)35-27)12-22-24(15)29-14-23(26(28)33)25(22)30-20-8-5-9-21(13-20)34-3;2-1-3/h4-14H,1-3H3,(H2,28,33)(H,29,30);1H,(H,2,3)
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Northeastern University



Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25然 cAMP (Enzo Lifesci...


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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...


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Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153394
PNG
(Methyl 3-(3-carbamoyl-4-((3-methoxyphenyl)amino)-8...)
Show SMILES COC(=O)c1cccc(c1)-c1cc(C)c2ncc(C(N)=O)c(Nc3cccc(OC)c3)c2c1
Show InChI InChI=1S/C26H23N3O4/c1-15-10-18(16-6-4-7-17(11-16)26(31)33-3)12-21-23(15)28-14-22(25(27)30)24(21)29-19-8-5-9-20(13-19)32-2/h4-14H,1-3H3,(H2,27,30)(H,28,29)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Northeastern University



Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25然 cAMP (Enzo Lifesci...


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153397
PNG
(6-(3-(1H-Tetrazol-5-yl)phenyl)-4-((3-methoxyphenyl...)
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)-c2cccc(c2)-c2nnn[nH]2)C(N)=O)c1
Show InChI InChI=1S/C25H21N7O2/c1-14-9-17(15-5-3-6-16(10-15)25-29-31-32-30-25)11-20-22(14)27-13-21(24(26)33)23(20)28-18-7-4-8-19(12-18)34-2/h3-13H,1-2H3,(H2,26,33)(H,27,28)(H,29,30,31,32)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Northeastern University



Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25然 cAMP (Enzo Lifesci...


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153405
PNG
(4-((2-Methoxyphenyl)amino)-8-methyl-6-(1-methyl-1H...)
Show SMILES COc1ccccc1Nc1c(cnc2c(C)cc(cc12)-c1ccc2cnn(C)c2c1)C(N)=O
Show InChI InChI=1S/C26H23N5O2.CH2O2/c1-15-10-18(16-8-9-17-13-29-31(2)22(17)12-16)11-19-24(15)28-14-20(26(27)32)25(19)30-21-6-4-5-7-23(21)33-3;2-1-3/h4-14H,1-3H3,(H2,27,32)(H,28,30);1H,(H,2,3)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Northeastern University



Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25然 cAMP (Enzo Lifesci...


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50058061
PNG
(CHEMBL3323127)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nn[nH]n1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N
Show InChI InChI=1/C26H29N5O5/c1-34-22-9-6-20(26(17-27)12-10-19(11-13-26)25(32)33)16-23(22)36-15-3-2-14-35-21-7-4-18(5-8-21)24-28-30-31-29-24/h4-9,16,19H,2-3,10-15H2,1H3,(H,32,33)(H,28,29,30,31)/t19-,26-
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n/an/a 7.90E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153396
PNG
(4-((3-Methoxyphenyl)amino)-8-methyl-6-(1H-pyrazol-...)
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)-c2cn[nH]c2)C(N)=O)c1
Show InChI InChI=1S/C21H19N5O2/c1-12-6-13(14-9-24-25-10-14)7-17-19(12)23-11-18(21(22)27)20(17)26-15-4-3-5-16(8-15)28-2/h3-11H,1-2H3,(H2,22,27)(H,23,26)(H,24,25)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Northeastern University



Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25然 cAMP (Enzo Lifesci...


Citation and Details
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50058064
PNG
(CHEMBL3323133)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(F)cc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N
Show InChI InChI=1/C25H28FNO5/c1-30-22-9-4-19(25(17-27)12-10-18(11-13-25)24(28)29)16-23(22)32-15-3-2-14-31-21-7-5-20(26)6-8-21/h4-9,16,18H,2-3,10-15H2,1H3,(H,28,29)/t18-,25-
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n/an/a 9.20E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition


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More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50058068
PNG
(CHEMBL3321771)
Show SMILES COc1ccc(cc1OCCCCCOc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N
Show InChI InChI=1/C26H31NO5/c1-30-23-11-10-21(26(19-27)14-12-20(13-15-26)25(28)29)18-24(23)32-17-7-3-6-16-31-22-8-4-2-5-9-22/h2,4-5,8-11,18,20H,3,6-7,12-17H2,1H3,(H,28,29)/t20-,26-
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n/an/a 9.80E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition


Citation and Details
More data for this
Ligand-Target Pair
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