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Compile Data Set for Download or QSAR

Found 24 hits of ph data 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



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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)
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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PubMed
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)
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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PubMed
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)
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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PubMed
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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UniChem

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Article
PubMed
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