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PubMed code 19773167

Compile data set for download or QSAR
Found 30 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)		BDBM50311245
PNG
((S)-4-methyl-2-phenyl-N-(5-phenyl-1-(phenylsulfony...)
Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H26N2O3S2/c1-21-26(34-28(29-21)23-13-7-3-8-14-23)27(31)30-24(18-17-22-11-5-2-6-12-22)19-20-35(32,33)25-15-9-4-10-16-25/h2-16,19-20,24H,17-18H2,1H3,(H,30,31)/b20-19+/t24-/m0/s1
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 320n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50229129
PNG
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34|
Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50229129
PNG
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34|
Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50311247
PNG
((S)-4-methyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...)
Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1cnccn1 |r|
Show InChI InChI=1S/C26H24N4O3S2/c1-19-24(34-26(29-19)23-18-27-15-16-28-23)25(31)30-21(13-12-20-8-4-2-5-9-20)14-17-35(32,33)22-10-6-3-7-11-22/h2-11,14-18,21H,12-13H2,1H3,(H,30,31)/b17-14+/t21-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50311248
PNG
((S)-3-phenyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H24N2O4S/c30-27(26-20-25(29-33-26)22-12-6-2-7-13-22)28-23(17-16-21-10-4-1-5-11-21)18-19-34(31,32)24-14-8-3-9-15-24/h1-15,18-20,23H,16-17H2,(H,28,30)/b19-18+/t23-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50311250
PNG
((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1cccnc1 |r|
Show InChI InChI=1S/C26H23N3O4S/c30-26(25-18-24(29-33-25)21-10-7-16-27-19-21)28-22(14-13-20-8-3-1-4-9-20)15-17-34(31,32)23-11-5-2-6-12-23/h1-12,15-19,22H,13-14H2,(H,28,30)/b17-15+/t22-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50311246
PNG
((S)-4-methyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...)
Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1cccnc1 |r|
Show InChI InChI=1S/C27H25N3O3S2/c1-20-25(34-27(29-20)22-11-8-17-28-19-22)26(31)30-23(15-14-21-9-4-2-5-10-21)16-18-35(32,33)24-12-6-3-7-13-24/h2-13,16-19,23H,14-15H2,1H3,(H,30,31)/b18-16+/t23-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50311251
PNG
((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H23N3O4S/c30-26(25-19-24(29-33-25)23-13-7-8-17-27-23)28-21(15-14-20-9-3-1-4-10-20)16-18-34(31,32)22-11-5-2-6-12-22/h1-13,16-19,21H,14-15H2,(H,28,30)/b18-16+/t21-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50311249
PNG
((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccncc1 |r|
Show InChI InChI=1S/C26H23N3O4S/c30-26(25-19-24(29-33-25)21-13-16-27-17-14-21)28-22(12-11-20-7-3-1-4-8-20)15-18-34(31,32)23-9-5-2-6-10-23/h1-10,13-19,22H,11-12H2,(H,28,30)/b18-15+/t22-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50311252
PNG
((1R,2R)-2-(4-chlorobenzoyl)-N-((S)-5-phenyl-1-(phe...)
Show SMILES Clc1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:28.31|
Show InChI InChI=1S/C31H32ClNO4S/c32-25-18-16-24(17-19-25)30(34)28-13-7-8-14-29(28)31(35)33-26(20-15-23-9-3-1-4-10-23)21-22-38(36,37)27-11-5-2-6-12-27/h1-6,9-12,16-19,21-22,26,28-29H,7-8,13-15,20H2,(H,33,35)/t26-,28+,29+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50311252
PNG
((1R,2R)-2-(4-chlorobenzoyl)-N-((S)-5-phenyl-1-(phe...)
Show SMILES Clc1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:28.31|
Show InChI InChI=1S/C31H32ClNO4S/c32-25-18-16-24(17-19-25)30(34)28-13-7-8-14-29(28)31(35)33-26(20-15-23-9-3-1-4-10-23)21-22-38(36,37)27-11-5-2-6-12-27/h1-6,9-12,16-19,21-22,26,28-29H,7-8,13-15,20H2,(H,33,35)/t26-,28+,29+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50311250
PNG
((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1cccnc1 |r|
Show InChI InChI=1S/C26H23N3O4S/c30-26(25-18-24(29-33-25)21-10-7-16-27-19-21)28-22(14-13-20-8-3-1-4-9-20)15-17-34(31,32)23-11-5-2-6-12-23/h1-12,15-19,22H,13-14H2,(H,28,30)/b17-15+/t22-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50311247
PNG
((S)-4-methyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...)
Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1cnccn1 |r|
Show InChI InChI=1S/C26H24N4O3S2/c1-19-24(34-26(29-19)23-18-27-15-16-28-23)25(31)30-21(13-12-20-8-4-2-5-9-20)14-17-35(32,33)22-10-6-3-7-11-22/h2-11,14-18,21H,12-13H2,1H3,(H,30,31)/b17-14+/t21-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50311246
PNG
((S)-4-methyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...)
Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1cccnc1 |r|
Show InChI InChI=1S/C27H25N3O3S2/c1-20-25(34-27(29-20)22-11-8-17-28-19-22)26(31)30-23(15-14-21-9-4-2-5-10-21)16-18-35(32,33)24-12-6-3-7-13-24/h2-13,16-19,23H,14-15H2,1H3,(H,30,31)/b18-16+/t23-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50311248
PNG
((S)-3-phenyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H24N2O4S/c30-27(26-20-25(29-33-26)22-12-6-2-7-13-22)28-23(17-16-21-10-4-1-5-11-21)18-19-34(31,32)24-14-8-3-9-15-24/h1-15,18-20,23H,16-17H2,(H,28,30)/b19-18+/t23-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cathepsin B-like cysteine protease


(Trypanosoma brucei)		BDBM50229129
PNG
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34|
Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50311249
PNG
((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccncc1 |r|
Show InChI InChI=1S/C26H23N3O4S/c30-26(25-19-24(29-33-25)21-13-16-27-17-14-21)28-22(12-11-20-7-3-1-4-8-20)15-18-34(31,32)23-9-5-2-6-10-23/h1-10,13-19,22H,11-12H2,(H,28,30)/b18-15+/t22-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50311251
PNG
((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H23N3O4S/c30-26(25-19-24(29-33-25)23-13-7-8-17-27-23)28-21(15-14-20-9-3-1-4-10-20)16-18-34(31,32)22-11-5-2-6-12-22/h1-13,16-19,21H,14-15H2,(H,28,30)/b18-16+/t21-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50311245
PNG
((S)-4-methyl-2-phenyl-N-(5-phenyl-1-(phenylsulfony...)
Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H26N2O3S2/c1-21-26(34-28(29-21)23-13-7-3-8-14-23)27(31)30-24(18-17-22-11-5-2-6-12-22)19-20-35(32,33)25-15-9-4-10-16-25/h2-16,19-20,24H,17-18H2,1H3,(H,30,31)/b20-19+/t24-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cathepsin B-like cysteine protease


(Trypanosoma brucei)		BDBM50311252
PNG
((1R,2R)-2-(4-chlorobenzoyl)-N-((S)-5-phenyl-1-(phe...)
Show SMILES Clc1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:28.31|
Show InChI InChI=1S/C31H32ClNO4S/c32-25-18-16-24(17-19-25)30(34)28-13-7-8-14-29(28)31(35)33-26(20-15-23-9-3-1-4-10-23)21-22-38(36,37)27-11-5-2-6-12-27/h1-6,9-12,16-19,21-22,26,28-29H,7-8,13-15,20H2,(H,33,35)/t26-,28+,29+/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cathepsin B-like cysteine protease


(Trypanosoma brucei)		BDBM50311248
PNG
((S)-3-phenyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H24N2O4S/c30-27(26-20-25(29-33-26)22-12-6-2-7-13-22)28-23(17-16-21-10-4-1-5-11-21)18-19-34(31,32)24-14-8-3-9-15-24/h1-15,18-20,23H,16-17H2,(H,28,30)/b19-18+/t23-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)		BDBM50311253
PNG
((1S,2S)-2-(4-chlorobenzoyl)-N-((S,E)-5-phenyl-1-(p...)
Show SMILES Clc1ccc(cc1)C(=O)[C@H]1CCCC[C@@H]1C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:28.31|
Show InChI InChI=1S/C31H32ClNO4S/c32-25-18-16-24(17-19-25)30(34)28-13-7-8-14-29(28)31(35)33-26(20-15-23-9-3-1-4-10-23)21-22-38(36,37)27-11-5-2-6-12-27/h1-6,9-12,16-19,21-22,26,28-29H,7-8,13-15,20H2,(H,33,35)/t26-,28-,29-/m0/s1
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n/an/a 5.60E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cathepsin B-like cysteine protease


(Trypanosoma brucei)		BDBM50311247
PNG
((S)-4-methyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...)
Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1cnccn1 |r|
Show InChI InChI=1S/C26H24N4O3S2/c1-19-24(34-26(29-19)23-18-27-15-16-28-23)25(31)30-21(13-12-20-8-4-2-5-9-20)14-17-35(32,33)22-10-6-3-7-11-22/h2-11,14-18,21H,12-13H2,1H3,(H,30,31)/b17-14+/t21-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cathepsin B-like cysteine protease


(Trypanosoma brucei)		BDBM50311249
PNG
((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccncc1 |r|
Show InChI InChI=1S/C26H23N3O4S/c30-26(25-19-24(29-33-25)21-13-16-27-17-14-21)28-22(12-11-20-7-3-1-4-8-20)15-18-34(31,32)23-9-5-2-6-10-23/h1-10,13-19,22H,11-12H2,(H,28,30)/b18-15+/t22-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cathepsin B-like cysteine protease


(Trypanosoma brucei)		BDBM50311253
PNG
((1S,2S)-2-(4-chlorobenzoyl)-N-((S,E)-5-phenyl-1-(p...)
Show SMILES Clc1ccc(cc1)C(=O)[C@H]1CCCC[C@@H]1C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:28.31|
Show InChI InChI=1S/C31H32ClNO4S/c32-25-18-16-24(17-19-25)30(34)28-13-7-8-14-29(28)31(35)33-26(20-15-23-9-3-1-4-10-23)21-22-38(36,37)27-11-5-2-6-12-27/h1-6,9-12,16-19,21-22,26,28-29H,7-8,13-15,20H2,(H,33,35)/t26-,28-,29-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cathepsin B-like cysteine protease


(Trypanosoma brucei)		BDBM50311251
PNG
((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H23N3O4S/c30-26(25-19-24(29-33-25)23-13-7-8-17-27-23)28-21(15-14-20-9-3-1-4-10-20)16-18-34(31,32)22-11-5-2-6-12-22/h1-13,16-19,21H,14-15H2,(H,28,30)/b18-16+/t21-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50311253
PNG
((1S,2S)-2-(4-chlorobenzoyl)-N-((S,E)-5-phenyl-1-(p...)
Show SMILES Clc1ccc(cc1)C(=O)[C@H]1CCCC[C@@H]1C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:28.31|
Show InChI InChI=1S/C31H32ClNO4S/c32-25-18-16-24(17-19-25)30(34)28-13-7-8-14-29(28)31(35)33-26(20-15-23-9-3-1-4-10-23)21-22-38(36,37)27-11-5-2-6-12-27/h1-6,9-12,16-19,21-22,26,28-29H,7-8,13-15,20H2,(H,33,35)/t26-,28-,29-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cathepsin B-like cysteine protease


(Trypanosoma brucei)		BDBM50311246
PNG
((S)-4-methyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...)
Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1cccnc1 |r|
Show InChI InChI=1S/C27H25N3O3S2/c1-20-25(34-27(29-20)22-11-8-17-28-19-22)26(31)30-23(15-14-21-9-4-2-5-10-21)16-18-35(32,33)24-12-6-3-7-13-24/h2-13,16-19,23H,14-15H2,1H3,(H,30,31)/b18-16+/t23-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cathepsin B-like cysteine protease


(Trypanosoma brucei)		BDBM50311250
PNG
((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1cccnc1 |r|
Show InChI InChI=1S/C26H23N3O4S/c30-26(25-18-24(29-33-25)21-10-7-16-27-19-21)28-22(14-13-20-8-3-1-4-9-20)15-17-34(31,32)23-11-5-2-6-12-23/h1-12,15-19,22H,13-14H2,(H,28,30)/b17-15+/t22-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
Cathepsin B-like cysteine protease


(Trypanosoma brucei)		BDBM50311245
PNG
((S)-4-methyl-2-phenyl-N-(5-phenyl-1-(phenylsulfony...)
Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H26N2O3S2/c1-21-26(34-28(29-21)23-13-7-3-8-14-23)27(31)30-24(18-17-22-11-5-2-6-12-22)19-20-35(32,33)25-15-9-4-10-16-25/h2-16,19-20,24H,17-18H2,1H3,(H,30,31)/b20-19+/t24-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins

Bioorg Med Chem Lett 19: 6218-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.098
BindingDB Entry DOI: 10.7270/Q26973PF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%