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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'campbell' and Initial = 'rk'   
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)
BDBM50441529
PNG
(CHEMBL2436771)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@H]2CC=CC[C@@H]12 |r,c:43,t:28|
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


Bioorg Med Chem Lett 23: 5971-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.057
BindingDB Entry DOI: 10.7270/Q22B90GC
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50058062
PNG
(CHEMBL3323128)
Show SMILES COc1ccc(cc1OCCCCOc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:23.28,20.31,(6.34,-9.24,;6.35,-7.7,;7.68,-6.93,;9.01,-7.7,;10.35,-6.93,;10.35,-5.38,;9.01,-4.62,;7.68,-5.39,;6.35,-4.62,;6.35,-3.08,;5.01,-2.31,;5.01,-.77,;3.68,-0,;2.35,-.77,;1.01,-0,;1.02,1.54,;-.32,2.31,;-1.66,1.54,;-1.65,-.01,;-.31,-.77,;11.68,-4.61,;13.01,-5.38,;14.33,-4.61,;14.34,-3.07,;13,-2.3,;11.66,-3.07,;15.67,-2.29,;17.01,-3.06,;15.67,-.75,;11.67,-6.14,;11.66,-7.68,)|
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 38n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B expressed in Sf21 cells using cAMP substrate by scintillation proximity assay


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)
BDBM50441528
PNG
(CHEMBL2436772)
Show SMILES COc1ccc(cc1OC1CCCC1)C1=NN(C[C@H]2CC=CC[C@@H]12)C1CCCC1 |r,c:22,t:16|
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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Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PDEB1


Bioorg Med Chem Lett 23: 5971-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.057
BindingDB Entry DOI: 10.7270/Q22B90GC
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 |r,wU:23.28,20.31,(6.34,-9.24,;6.35,-7.7,;7.68,-6.93,;9.01,-7.7,;10.35,-6.93,;10.35,-5.38,;9.01,-4.62,;7.68,-5.39,;6.35,-4.62,;6.35,-3.08,;5.01,-2.31,;5.01,-.77,;3.68,-0,;2.35,-.77,;1.01,-0,;1.02,1.54,;-.32,2.31,;-1.66,1.54,;-1.65,-.01,;-.31,-.77,;11.68,-4.61,;13.01,-5.38,;14.33,-4.61,;14.34,-3.07,;13,-2.3,;11.66,-3.07,;15.67,-2.29,;17.01,-3.06,;15.67,-.75,;11.67,-6.14,;11.66,-7.68,)|
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


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)
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)
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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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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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)
BDBM50058066
PNG
(CHEMBL3323131)
Show SMILES COc1ccc(OCCCCOc2cc(ccc2OC)[C@]2(CC[C@@H](CC2)C(O)=O)C#N)cc1 |r,wU:23.27,20.30,(.4,-21.91,;.4,-23.45,;1.73,-24.22,;3.07,-23.45,;4.4,-24.22,;4.4,-25.76,;5.73,-26.53,;7.06,-25.76,;8.4,-26.53,;8.4,-28.07,;9.73,-28.84,;9.73,-30.38,;11.07,-31.15,;12.39,-30.38,;13.73,-31.14,;13.73,-32.69,;12.4,-33.47,;11.06,-32.69,;9.73,-33.46,;9.73,-35,;15.06,-30.37,;16.39,-31.14,;17.72,-30.37,;17.72,-28.83,;16.38,-28.06,;15.05,-28.83,;19.06,-28.06,;20.39,-28.83,;19.06,-26.52,;15.05,-31.91,;15.04,-33.44,;3.07,-26.53,;1.74,-25.77,)|
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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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)
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)
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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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)
BDBM50058067
PNG
(CHEMBL3323130)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)C#N)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:25.30,22.33,(30.62,-25.52,;30.62,-23.98,;31.95,-23.21,;33.29,-23.98,;34.63,-23.21,;34.62,-21.66,;33.28,-20.9,;31.96,-21.67,;30.62,-20.9,;30.62,-19.36,;29.29,-18.59,;29.29,-17.05,;27.95,-16.28,;26.62,-17.05,;25.29,-16.28,;25.29,-14.74,;23.96,-13.97,;22.62,-14.74,;22.63,-16.29,;23.96,-17.05,;21.29,-13.97,;19.95,-13.21,;35.95,-20.89,;37.28,-21.66,;38.61,-20.89,;38.61,-19.35,;37.28,-18.58,;35.94,-19.35,;39.95,-18.57,;41.28,-19.34,;39.95,-17.03,;35.94,-22.42,;35.93,-23.96,)|
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


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)
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)
BDBM153409
PNG
(4-(4-Methoxy-3-methylphenylamino)-8-methyl-6-(1-me...)
Show SMILES OC=O.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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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)
BDBM50058065
PNG
(CHEMBL3323132)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C)cc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:24.29,21.32,(11.04,-15.82,;11.04,-14.28,;12.38,-13.51,;13.71,-14.28,;15.05,-13.51,;15.04,-11.96,;13.71,-11.19,;12.38,-11.96,;11.05,-11.19,;11.05,-9.65,;9.71,-8.88,;9.71,-7.34,;8.38,-6.57,;7.04,-7.34,;5.71,-6.57,;5.72,-5.03,;4.38,-4.26,;3.05,-5.03,;1.71,-4.27,;3.05,-6.58,;4.39,-7.34,;16.37,-11.18,;17.71,-11.95,;19.03,-11.18,;19.04,-9.64,;17.7,-8.87,;16.36,-9.64,;20.37,-8.87,;21.71,-9.64,;20.37,-7.33,;16.36,-12.72,;16.35,-14.25,)|
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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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)
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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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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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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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 OC=O.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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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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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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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 OC=O.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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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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
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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Assay Description
This assay was performed at Takeda Pharmaceuticals using methods previously reported.


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
3D
3D Structure (crystal)
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 |r,wU:28.34,25.37,(12.65,-15.01,;12.65,-13.47,;13.99,-12.7,;15.32,-13.47,;16.66,-12.7,;16.65,-11.15,;15.32,-10.38,;13.99,-11.15,;12.66,-10.38,;12.65,-8.84,;11.32,-8.07,;11.32,-6.53,;9.99,-5.76,;8.65,-6.53,;7.32,-5.76,;7.33,-4.22,;5.99,-3.45,;4.66,-4.23,;4.66,-5.77,;6,-6.54,;3.33,-3.45,;1.92,-4.08,;.89,-2.94,;1.66,-1.6,;3.16,-1.92,;17.98,-10.37,;19.32,-11.14,;20.64,-10.37,;20.64,-8.83,;19.31,-8.06,;17.97,-8.83,;21.98,-8.06,;23.31,-8.83,;21.98,-6.52,;17.97,-11.91,;17.96,-13.44,)|
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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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)
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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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)
BDBM50058064
PNG
(CHEMBL3323133)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(F)cc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:24.29,21.32,(11.8,-33.18,;11.81,-31.64,;13.14,-30.87,;14.47,-31.64,;15.81,-30.87,;15.81,-29.32,;14.47,-28.56,;13.14,-29.33,;11.81,-28.56,;11.81,-27.02,;10.47,-26.25,;10.47,-24.71,;9.14,-23.94,;7.81,-24.71,;6.47,-23.94,;6.48,-22.4,;5.15,-21.63,;3.81,-22.4,;2.48,-21.63,;3.82,-23.95,;5.15,-24.71,;17.14,-28.55,;18.47,-29.32,;19.79,-28.55,;19.8,-27.01,;18.46,-26.24,;17.12,-27.01,;21.13,-26.23,;22.47,-27,;21.13,-24.69,;17.13,-30.08,;17.12,-31.62,)|
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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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 |r,wU:24.29,21.32,(7.31,-22.01,;7.31,-20.47,;8.64,-19.7,;9.98,-20.47,;11.32,-19.7,;11.31,-18.15,;9.97,-17.38,;8.65,-18.15,;7.31,-17.38,;7.31,-15.84,;5.98,-15.07,;5.98,-13.53,;4.64,-12.76,;4.64,-11.22,;3.31,-10.45,;1.98,-11.22,;.64,-10.46,;-.69,-11.23,;-.69,-12.77,;.65,-13.54,;1.98,-12.76,;12.64,-17.37,;13.97,-18.14,;15.3,-17.37,;15.3,-15.83,;13.97,-15.06,;12.63,-15.83,;16.64,-15.06,;17.97,-15.83,;16.64,-13.52,;12.63,-18.91,;12.62,-20.44,)|
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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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 |r,wU:22.27,19.30,(26.35,-10.37,;26.35,-8.83,;27.68,-8.06,;29.02,-8.83,;30.35,-8.06,;30.35,-6.51,;29.01,-5.75,;27.69,-6.52,;26.35,-5.75,;26.35,-4.21,;25.02,-3.44,;25.02,-1.9,;23.68,-1.13,;22.35,-1.9,;21.02,-1.13,;19.68,-1.9,;19.68,-3.44,;21.03,-4.21,;22.35,-3.43,;31.68,-5.74,;33.01,-6.5,;34.34,-5.74,;34.34,-4.2,;33,-3.43,;31.67,-4.2,;35.68,-3.42,;37.01,-4.19,;35.68,-1.88,;31.67,-7.27,;31.66,-8.81,)|
Show InChI InChI=1/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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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)
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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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)
BDBM50058060
PNG
(CHEMBL3323123)
Show SMILES COc1ccc(cc1OCc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:19.24,16.27,(6.33,-24.95,;6.33,-23.41,;7.66,-22.65,;9,-23.42,;10.34,-22.64,;10.33,-21.09,;8.99,-20.33,;7.67,-21.1,;6.33,-20.33,;6.33,-18.79,;5,-18.02,;5,-16.48,;3.67,-15.71,;2.33,-16.48,;2.34,-18.03,;3.67,-18.79,;11.66,-20.32,;12.99,-21.09,;14.32,-20.32,;14.32,-18.78,;12.99,-18.01,;11.65,-18.78,;15.66,-18.01,;16.99,-18.78,;15.66,-16.47,;11.65,-21.86,;11.64,-23.39,)|
Show InChI InChI=1/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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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)
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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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)
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 |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)|
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



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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)
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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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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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)
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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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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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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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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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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
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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Assay Description
This assay was performed at Takeda Pharmaceuticals using methods previously reported.


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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
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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Assay Description
This assay was performed at Takeda Pharmaceuticals using methods previously reported.


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