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PubMed code 26432608

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128352
PNG
(CHEMBL3629184)
Show SMILES BrC1=NOC2CN(CC12)C(=O)[C@H](CCc1ccccc1)NC(=O)OCC=C |r,t:1|
Show InChI InChI=1S/C19H22BrN3O4/c1-2-10-26-19(25)21-15(9-8-13-6-4-3-5-7-13)18(24)23-11-14-16(12-23)27-22-17(14)20/h2-7,14-16H,1,8-12H2,(H,21,25)/t14?,15-,16?/m0/s1
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PubMed
 2.62E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128350
PNG
(CHEMBL3629186)
Show SMILES [H][C@@]12CN(C[C@]1([H])C(Br)=NO2)C(=O)[C@H](CCc1ccccc1)NC(=O)OCC=C |r,c:9|
Show InChI InChI=1S/C19H22BrN3O4/c1-2-10-26-19(25)21-15(9-8-13-6-4-3-5-7-13)18(24)23-11-14-16(12-23)27-22-17(14)20/h2-7,14-16H,1,8-12H2,(H,21,25)/t14-,15-,16+/m0/s1
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 2.73E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128351
PNG
(CHEMBL3629185)
Show SMILES [H][C@]12CN(C[C@@]1([H])C(Br)=NO2)C(=O)[C@H](CCc1ccccc1)NC(=O)OCC=C |r,c:9|
Show InChI InChI=1S/C19H22BrN3O4/c1-2-10-26-19(25)21-15(9-8-13-6-4-3-5-7-13)18(24)23-11-14-16(12-23)27-22-17(14)20/h2-7,14-16H,1,8-12H2,(H,21,25)/t14-,15+,16+/m1/s1
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 3.35E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128345
PNG
(CHEMBL3629346)
Show SMILES [H][C@@]12CN(C[C@]1([H])C(Br)=NO2)C(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccc(cc1)[N+]([O-])=O |r,c:9|
Show InChI InChI=1S/C23H23BrN4O6/c24-21-18-12-27(13-20(18)34-26-21)22(29)19(11-8-15-4-2-1-3-5-15)25-23(30)33-14-16-6-9-17(10-7-16)28(31)32/h1-7,9-10,18-20H,8,11-14H2,(H,25,30)/t18-,19-,20+/m0/s1
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 6.81E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128349
PNG
(CHEMBL3629339)
Show SMILES CC(C)C[C@H](NC(=O)OCC=C)C(=O)N1CC2ON=C(Br)C2C1 |r,t:18|
Show InChI InChI=1S/C15H22BrN3O4/c1-4-5-22-15(21)17-11(6-9(2)3)14(20)19-7-10-12(8-19)23-18-13(10)16/h4,9-12H,1,5-8H2,2-3H3,(H,17,21)/t10?,11-,12?/m0/s1
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 8.36E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128354
PNG
(CHEMBL3629181)
Show SMILES BrC1=NOC2CN(CC12)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r,t:1|
Show InChI InChI=1S/C22H22BrN3O4/c23-20-17-12-26(13-19(17)30-25-20)21(27)18(11-15-7-3-1-4-8-15)24-22(28)29-14-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2,(H,24,28)/t17?,18-,19?/m0/s1
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 8.41E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128347
PNG
(CHEMBL3629341)
Show SMILES [H][C@@]12CN(C[C@]1([H])C(Br)=NO2)C(=O)[C@H](CC(C)C)NC(=O)OCC=C |r,c:9|
Show InChI InChI=1S/C15H22BrN3O4/c1-4-5-22-15(21)17-11(6-9(2)3)14(20)19-7-10-12(8-19)23-18-13(10)16/h4,9-12H,1,5-8H2,2-3H3,(H,17,21)/t10-,11-,12+/m0/s1
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 8.52E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128348
PNG
(CHEMBL3629340)
Show SMILES [H][C@]12CN(C[C@@]1([H])C(Br)=NO2)C(=O)[C@H](CC(C)C)NC(=O)OCC=C |r,c:9|
Show InChI InChI=1S/C15H22BrN3O4/c1-4-5-22-15(21)17-11(6-9(2)3)14(20)19-7-10-12(8-19)23-18-13(10)16/h4,9-12H,1,5-8H2,2-3H3,(H,17,21)/t10-,11+,12+/m1/s1
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PubMed
 9.05E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128346
PNG
(CHEMBL3629344)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2ON=C(Br)C2C1 |r,t:19|
Show InChI InChI=1S/C16H26BrN3O4/c1-9(2)6-11(18-15(22)23-16(3,4)5)14(21)20-7-10-12(8-20)24-19-13(10)17/h9-12H,6-8H2,1-5H3,(H,18,22)/t10?,11-,12?/m0/s1
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 1.36E+4n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128355
PNG
(CHEMBL3629180)
Show SMILES [H][C@@]12CN(C[C@]1([H])C(Br)=NO2)C(=O)[C@H](Cc1ccccc1)NC(=O)OCC=C |r,c:9|
Show InChI InChI=1S/C18H20BrN3O4/c1-2-8-25-18(24)20-14(9-12-6-4-3-5-7-12)17(23)22-10-13-15(11-22)26-21-16(13)19/h2-7,13-15H,1,8-11H2,(H,20,24)/t13-,14-,15+/m0/s1
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 1.51E+4n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128356
PNG
(CHEMBL3629179)
Show SMILES [H][C@]12CN(C[C@@]1([H])C(Br)=NO2)C(=O)[C@H](Cc1ccccc1)NC(=O)OCC=C |r,c:9|
Show InChI InChI=1S/C18H20BrN3O4/c1-2-8-25-18(24)20-14(9-12-6-4-3-5-7-12)17(23)22-10-13-15(11-22)26-21-16(13)19/h2-7,13-15H,1,8-11H2,(H,20,24)/t13-,14+,15+/m1/s1
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 1.66E+4n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128357
PNG
(CHEMBL3629178)
Show SMILES BrC1=NOC2CN(CC12)C(=O)[C@H](Cc1ccccc1)NC(=O)OCC=C |r,t:1|
Show InChI InChI=1S/C18H20BrN3O4/c1-2-8-25-18(24)20-14(9-12-6-4-3-5-7-12)17(23)22-10-13-15(11-22)26-21-16(13)19/h2-7,13-15H,1,8-11H2,(H,20,24)/t13?,14-,15?/m0/s1
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 1.68E+4n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50128353
PNG
(CHEMBL3629183)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2ON=C(Br)C2C1 |r,t:23|
Show InChI InChI=1S/C19H24BrN3O4/c1-19(2,3)26-18(25)21-14(9-12-7-5-4-6-8-12)17(24)23-10-13-15(11-23)27-22-16(13)20/h4-8,13-15H,9-11H2,1-3H3,(H,21,25)/t13?,14-,15?/m0/s1
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 1.77E+4n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...

Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%