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Compile Data Set for Download or QSAR

Found 100 hits Enz. Inhib. hit(s) with Target = 'Class I phosphodiesterase B1 (TbrPDEB1)'   
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
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50415001
PNG
(CHEMBL570015 | GSK-256066 | GSK-256066 (3))
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1
Show InChI InChI=1S/C27H26N4O5S/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4/h5-15H,1-4H3,(H2,28,32)(H,29,30)
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n/an/a 2.40E+4n/an/an/an/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
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/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
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/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153392
PNG
(4-(3-methoxyphenylamino)-8-methyl-6-(3-(methylcarb...)
Show SMILES CNC(=O)c1cccc(c1)S(=O)(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cccc(OC)c3)c2c1
Show InChI InChI=1S/C26H24N4O5S/c1-15-10-20(36(33,34)19-9-4-6-16(11-19)26(32)28-2)13-21-23(15)29-14-22(25(27)31)24(21)30-17-7-5-8-18(12-17)35-3/h4-14H,1-3H3,(H2,27,31)(H,28,32)(H,29,30)
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n/an/a 3.10E+4n/an/an/an/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153393
PNG
(Methyl 3-(3-carbamoyl-4-(3-methoxyphenylamino)-8-m...)
Show SMILES COC(=O)c1cccc(Nc2cc(C)c3ncc(C(N)=O)c(Nc4cccc(OC)c4)c3c2)c1
Show InChI InChI=1S/C26H24N4O4/c1-15-10-19(29-17-7-4-6-16(11-17)26(32)34-3)13-21-23(15)28-14-22(25(27)31)24(21)30-18-8-5-9-20(12-18)33-2/h4-14,29H,1-3H3,(H2,27,31)(H,28,30)
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n/an/a 1.60E+4n/an/an/an/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
More data for this
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/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153395
PNG
(6-(3-Aminophenyl)-4-((3-methoxyphenyl)amino)-8-met...)
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)-c2cccc(N)c2)C(N)=O)c1
Show InChI InChI=1S/C24H22N4O2/c1-14-9-16(15-5-3-6-17(25)10-15)11-20-22(14)27-13-21(24(26)29)23(20)28-18-7-4-8-19(12-18)30-2/h3-13H,25H2,1-2H3,(H2,26,29)(H,27,28)
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n/an/a 2.30E+4n/an/an/an/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
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/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
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/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
More data for this
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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n/an/a 6.00E+3n/an/an/an/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
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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n/an/a 5.90E+3n/an/an/an/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153400
PNG
(4-((3-Methoxyphenyl)amino)-8-methyl-6-(3-morpholin...)
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)-c2cccc(c2)N2CCOCC2)C(N)=O)c1
Show InChI InChI=1S/C28H28N4O3/c1-18-13-20(19-5-3-7-22(14-19)32-9-11-35-12-10-32)15-24-26(18)30-17-25(28(29)33)27(24)31-21-6-4-8-23(16-21)34-2/h3-8,13-17H,9-12H2,1-2H3,(H2,29,33)(H,30,31)
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n/an/a 1.20E+4n/an/an/an/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
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/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
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/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153403
PNG
(Methyl 3-(4-(benzylamino)-3-carbamoyl-8-methylquin...)
Show SMILES COC(=O)c1cccc(c1)-c1cc(C)c2ncc(C(N)=O)c(NCc3ccccc3)c2c1
Show InChI InChI=1S/C26H23N3O3/c1-16-11-20(18-9-6-10-19(12-18)26(31)32-2)13-21-23(16)29-15-22(25(27)30)24(21)28-14-17-7-4-3-5-8-17/h3-13,15H,14H2,1-2H3,(H2,27,30)(H,28,29)
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n/an/a 2.80E+4n/an/an/an/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153404
PNG
(Methyl 3-(3-carbamoyl-8-methyl-4-(pyridin-3-ylamin...)
Show SMILES COC(=O)c1cccc(c1)-c1cc(C)c2ncc(C(N)=O)c(Nc3cccnc3)c2c1
Show InChI InChI=1S/C24H20N4O3/c1-14-9-17(15-5-3-6-16(10-15)24(30)31-2)11-19-21(14)27-13-20(23(25)29)22(19)28-18-7-4-8-26-12-18/h3-13H,1-2H3,(H2,25,29)(H,27,28)
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n/an/a 2.60E+4n/an/an/an/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
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/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
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/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
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/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
More data for this
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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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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
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/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
More data for this
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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n/an/a 5.90E+3n/an/an/an/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153411
PNG
(4-((3-Methoxyphenyl)amino)-6-(1-methyl-1H-indazol-...)
Show SMILES COc1cccc(Nc2c(cnc3ccc(cc23)-c2ccc3cnn(C)c3c2)C(N)=O)c1
Show InChI InChI=1S/C25H21N5O2/c1-30-23-11-16(6-7-17(23)13-28-30)15-8-9-22-20(10-15)24(21(14-27-22)25(26)31)29-18-4-3-5-19(12-18)32-2/h3-14H,1-2H3,(H2,26,31)(H,27,29)
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n/an/a 1.20E+4n/an/an/an/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
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/a7.4n/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...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
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 B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50346088
PNG
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-
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n/an/a 1.60E+4n/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


Bioorg Med Chem Lett 24: 4084-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50058060
PNG
(CHEMBL3323123)
Show SMILES COc1ccc(cc1OCc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N
Show InChI InChI=1S/C22H23NO4/c1-26-19-8-7-18(13-20(19)27-14-16-5-3-2-4-6-16)22(15-23)11-9-17(10-12-22)21(24)25/h2-8,13,17H,9-12,14H2,1H3,(H,24,25)/t17-,22-
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n/an/a 1.20E+4n/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


Bioorg Med Chem Lett 24: 4084-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC
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=1S/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


Bioorg Med Chem Lett 24: 4084-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC
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=1S/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


Bioorg Med Chem Lett 24: 4084-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50058063
PNG
(CHEMBL3323129)
Show SMILES COc1ccc(cc1OCCCOc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N
Show InChI InChI=1S/C24H27NO5/c1-28-21-9-8-19(24(17-25)12-10-18(11-13-24)23(26)27)16-22(21)30-15-5-14-29-20-6-3-2-4-7-20/h2-4,6-9,16,18H,5,10-15H2,1H3,(H,26,27)/t18-,24-
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n/an/a 1.10E+4n/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


Bioorg Med Chem Lett 24: 4084-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC
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=1S/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


Bioorg Med Chem Lett 24: 4084-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC
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=1S/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

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 4084-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC
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=1S/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


Bioorg Med Chem Lett 24: 4084-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC
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=1S/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


Bioorg Med Chem Lett 24: 4084-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC
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=1S/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


Bioorg Med Chem Lett 24: 4084-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC
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



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)


Article DOI: 10.1016/j.bmc.2016.02.032
BindingDB Entry DOI: 10.7270/Q22V2J07
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50304391
PNG
((cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro...)
Show SMILES COc1ccc(cc1OC)C1=NNC(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)/t11-,12+/m0/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)


Article DOI: 10.1016/j.bmc.2016.02.032
BindingDB Entry DOI: 10.7270/Q22V2J07
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50148194
PNG
(CHEMBL3763456)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C23H30N2O3/c1-27-20-14-13-16(15-21(20)28-2)22-18-11-7-8-12-19(18)23(26)25(24-22)17-9-5-3-4-6-10-17/h7-8,13-15,17-19H,3-6,9-12H2,1-2H3/t18-,19+/m0/s1
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n/an/a 316n/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)


Article DOI: 10.1016/j.bmc.2016.02.032
BindingDB Entry DOI: 10.7270/Q22V2J07
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50148241
PNG
(CHEMBL3764366)
Show SMILES COc1ccc(cc1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C22H28N2O2/c1-26-18-14-12-16(13-15-18)21-19-10-6-7-11-20(19)22(25)24(23-21)17-8-4-2-3-5-9-17/h6-7,12-15,17,19-20H,2-5,8-11H2,1H3/t19-,20+/m0/s1
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n/an/a 3.98E+3n/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)


Article DOI: 10.1016/j.bmc.2016.02.032
BindingDB Entry DOI: 10.7270/Q22V2J07
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50148242
PNG
(CHEMBL3764675)
Show SMILES COc1cccc(c1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C22H28N2O2/c1-26-18-12-8-9-16(15-18)21-19-13-6-7-14-20(19)22(25)24(23-21)17-10-4-2-3-5-11-17/h6-9,12,15,17,19-20H,2-5,10-11,13-14H2,1H3/t19-,20+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)


Article DOI: 10.1016/j.bmc.2016.02.032
BindingDB Entry DOI: 10.7270/Q22V2J07
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50148243
PNG
(CHEMBL3763265)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCCCCC2)C(=O)CC1
Show InChI InChI=1S/C19H26N2O3/c1-23-17-11-9-14(13-18(17)24-2)16-10-12-19(22)21(20-16)15-7-5-3-4-6-8-15/h9,11,13,15H,3-8,10,12H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)


Article DOI: 10.1016/j.bmc.2016.02.032
BindingDB Entry DOI: 10.7270/Q22V2J07
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50148244
PNG
(CHEMBL3763547)
Show SMILES COc1ccc(cc1OC)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CCCC[C@H]12
Show InChI InChI=1S/C23H32N2O3/c1-27-20-14-13-16(15-21(20)28-2)22-18-11-7-8-12-19(18)23(26)25(24-22)17-9-5-3-4-6-10-17/h13-15,17-19H,3-12H2,1-2H3/t18-,19+/m0/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)


Article DOI: 10.1016/j.bmc.2016.02.032
BindingDB Entry DOI: 10.7270/Q22V2J07
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50148245
PNG
(CHEMBL3764466)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCCCCC2)c(=O)c2ccccc12
Show InChI InChI=1S/C23H26N2O3/c1-27-20-14-13-16(15-21(20)28-2)22-18-11-7-8-12-19(18)23(26)25(24-22)17-9-5-3-4-6-10-17/h7-8,11-15,17H,3-6,9-10H2,1-2H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)


Article DOI: 10.1016/j.bmc.2016.02.032
BindingDB Entry DOI: 10.7270/Q22V2J07
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50148246
PNG
(CHEMBL3764415)
Show SMILES COc1ccc(cc1OC)C1=NN(C(C)C)C(=O)[C@@H]2CCCC[C@H]12
Show InChI InChI=1S/C19H26N2O3/c1-12(2)21-19(22)15-8-6-5-7-14(15)18(20-21)13-9-10-16(23-3)17(11-13)24-4/h9-12,14-15H,5-8H2,1-4H3/t14-,15+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)


Article DOI: 10.1016/j.bmc.2016.02.032
BindingDB Entry DOI: 10.7270/Q22V2J07
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



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)


Article DOI: 10.1016/j.bmc.2016.02.032
BindingDB Entry DOI: 10.7270/Q22V2J07
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50148195
PNG
(CHEMBL3765188)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn(C)n1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C34H42N6O4/c1-39-37-33(35-38-39)24-15-18-27(19-16-24)43-21-9-10-22-44-31-23-25(17-20-30(31)42-2)32-28-13-7-8-14-29(28)34(41)40(36-32)26-11-5-3-4-6-12-26/h7-8,15-20,23,26,28-29H,3-6,9-14,21-22H2,1-2H3/t28-,29+/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)


Article DOI: 10.1016/j.bmc.2016.02.032
BindingDB Entry DOI: 10.7270/Q22V2J07
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50148237
PNG
(CHEMBL3763233)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnnn1C)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C34H42N6O4/c1-39-33(35-37-38-39)24-15-18-27(19-16-24)43-21-9-10-22-44-31-23-25(17-20-30(31)42-2)32-28-13-7-8-14-29(28)34(41)40(36-32)26-11-5-3-4-6-12-26/h7-8,15-20,23,26,28-29H,3-6,9-14,21-22H2,1-2H3/t28-,29+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)


Article DOI: 10.1016/j.bmc.2016.02.032
BindingDB Entry DOI: 10.7270/Q22V2J07
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50148238
PNG
(CHEMBL3765037)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-n1ccnc1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C35H42N4O4/c1-41-32-19-14-26(34-30-12-6-7-13-31(30)35(40)39(37-34)28-10-4-2-3-5-11-28)24-33(32)43-23-9-8-22-42-29-17-15-27(16-18-29)38-21-20-36-25-38/h6-7,14-21,24-25,28,30-31H,2-5,8-13,22-23H2,1H3/t30-,31+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)


Article DOI: 10.1016/j.bmc.2016.02.032
BindingDB Entry DOI: 10.7270/Q22V2J07
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50148239
PNG
(CHEMBL3764370)
Show SMILES COc1ccc(cc1OCCCCn1cnc2ncncc12)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C31H38N6O3/c1-39-27-15-14-22(18-28(27)40-17-9-8-16-36-21-34-30-26(36)19-32-20-33-30)29-24-12-6-7-13-25(24)31(38)37(35-29)23-10-4-2-3-5-11-23/h6-7,14-15,18-21,23-25H,2-5,8-13,16-17H2,1H3/t24-,25+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)


Article DOI: 10.1016/j.bmc.2016.02.032
BindingDB Entry DOI: 10.7270/Q22V2J07
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50148247
PNG
(CHEMBL3765010)
Show SMILES COc1ccc(cc1OCCCCCc1ccccc1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
Show InChI InChI=1S/C33H42N2O3/c1-37-30-22-21-26(24-31(30)38-23-13-5-8-16-25-14-6-4-7-15-25)32-28-19-11-12-20-29(28)33(36)35(34-32)27-17-9-2-3-10-18-27/h4,6-7,11-12,14-15,21-22,24,27-29H,2-3,5,8-10,13,16-20,23H2,1H3/t28-,29+/m0/s1
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n/an/a 63n/an/an/an/an/an/a



Mercachem

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay


Bioorg Med Chem 24: 1573-81 (2016)


Article DOI: 10.1016/j.bmc.2016.02.032
BindingDB Entry DOI: 10.7270/Q22V2J07
More data for this
Ligand-Target Pair
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