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Compile Data Set for Download or QSAR

Found 531 hits with Last Name = 'kuratli' and Initial = 'c'   
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)
BDBM50263634
PNG
(CHEMBL4073014)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C22H17Cl2FN6O2/c23-16-6-1-13(9-17(16)24)10-18(21(33)29-22(12-26)7-8-22)28-20(32)19-11-27-31(30-19)15-4-2-14(25)3-5-15/h1-6,9,11,18H,7-8,10H2,(H,28,32)(H,29,33)/t18-/m0/s1
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2n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263632
PNG
(CHEMBL4080286)
Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2ccccc2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C23H18ClF3N6O3/c24-16-10-14(6-7-19(16)36-23(25,26)27)11-17(21(35)31-22(13-28)8-9-22)30-20(34)18-12-29-33(32-18)15-4-2-1-3-5-15/h1-7,10,12,17H,8-9,11H2,(H,30,34)(H,31,35)/t17-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50311334
PNG
(2-(1-(4-chloro-3,5-diethoxybenzyl)piperidin-4-ylam...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)C(O)=O)cc(OCC)c1Cl
Show InChI InChI=1S/C24H28ClN3O5/c1-3-31-20-11-15(12-21(22(20)25)32-4-2)14-28-9-7-17(8-10-28)26-24-27-18-13-16(23(29)30)5-6-19(18)33-24/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H,26,27)(H,29,30)
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3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263647
PNG
(CHEMBL4099905)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C22H18ClFN6O2/c23-15-3-1-14(2-4-15)11-18(21(32)28-22(13-25)9-10-22)27-20(31)19-12-26-30(29-19)17-7-5-16(24)6-8-17/h1-8,12,18H,9-11H2,(H,27,31)(H,28,32)/t18-/m0/s1
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3n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50263622
PNG
(CHEMBL4065829)
Show SMILES CC(C)n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C20H20ClF3N6O3/c1-11(2)30-26-9-15(29-30)17(31)27-14(18(32)28-19(10-25)5-6-19)8-12-3-4-16(13(21)7-12)33-20(22,23)24/h3-4,7,9,11,14H,5-6,8H2,1-2H3,(H,27,31)(H,28,32)/t14-/m0/s1
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4n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263689
PNG
(CHEMBL4064430)
Show SMILES Clc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCOCC2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C21H22Cl2N6O3/c22-15-2-1-13(9-16(15)23)10-17(20(31)27-21(12-24)5-6-21)26-19(30)18-11-25-29(28-18)14-3-7-32-8-4-14/h1-2,9,11,14,17H,3-8,10H2,(H,26,30)(H,27,31)/t17-/m0/s1
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4n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263684
PNG
(CHEMBL4093712)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(C#N)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C23H17ClFN7O2/c24-18-9-14(1-2-15(18)11-26)10-19(22(34)30-23(13-27)7-8-23)29-21(33)20-12-28-32(31-20)17-5-3-16(25)4-6-17/h1-6,9,12,19H,7-8,10H2,(H,29,33)(H,30,34)/t19-/m0/s1
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7n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50263683
PNG
(CHEMBL4101430)
Show SMILES Clc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCC2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C20H20Cl2N6O2/c21-14-5-4-12(8-15(14)22)9-16(19(30)26-20(11-23)6-7-20)25-18(29)17-10-24-28(27-17)13-2-1-3-13/h4-5,8,10,13,16H,1-3,6-7,9H2,(H,25,29)(H,26,30)/t16-/m0/s1
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7n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263685
PNG
(CHEMBL4082483)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C22H19FN6O2/c23-16-6-8-17(9-7-16)29-25-13-19(28-29)20(30)26-18(12-15-4-2-1-3-5-15)21(31)27-22(14-24)10-11-22/h1-9,13,18H,10-12H2,(H,26,30)(H,27,31)/t18-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263686
PNG
(CHEMBL4086533)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccccc1Cl)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C22H18ClFN6O2/c23-17-4-2-1-3-14(17)11-18(21(32)28-22(13-25)9-10-22)27-20(31)19-12-26-30(29-19)16-7-5-15(24)6-8-16/h1-8,12,18H,9-11H2,(H,27,31)(H,28,32)/t18-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263636
PNG
(CHEMBL4065096)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccccc1C#N)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C23H18FN7O2/c24-17-5-7-18(8-6-17)31-27-13-20(30-31)21(32)28-19(22(33)29-23(14-26)9-10-23)11-15-3-1-2-4-16(15)12-25/h1-8,13,19H,9-11H2,(H,28,32)(H,29,33)/t19-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263638
PNG
(CHEMBL4102966)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C22H18ClFN6O2/c23-15-3-1-2-14(10-15)11-18(21(32)28-22(13-25)8-9-22)27-20(31)19-12-26-30(29-19)17-6-4-16(24)5-7-17/h1-7,10,12,18H,8-9,11H2,(H,27,31)(H,28,32)/t18-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263637
PNG
(CHEMBL4078688)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C23H18F4N6O2/c24-15-5-7-16(8-6-15)33-29-12-19(32-33)20(34)30-18(21(35)31-22(13-28)9-10-22)11-14-3-1-2-4-17(14)23(25,26)27/h1-8,12,18H,9-11H2,(H,30,34)(H,31,35)/t18-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263633
PNG
(CHEMBL4104507)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C23H17ClF4N6O3/c24-16-9-13(1-6-19(16)37-23(26,27)28)10-17(21(36)32-22(12-29)7-8-22)31-20(35)18-11-30-34(33-18)15-4-2-14(25)3-5-15/h1-6,9,11,17H,7-8,10H2,(H,31,35)(H,32,36)/t17-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50263635
PNG
(CHEMBL4065483)
Show SMILES CC(C)(C)n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C21H22ClF3N6O3/c1-19(2,3)31-27-10-15(30-31)17(32)28-14(18(33)29-20(11-26)6-7-20)9-12-4-5-16(13(22)8-12)34-21(23,24)25/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,28,32)(H,29,33)/t14-/m0/s1
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8n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50311333
PNG
(2-(1-(3,5-diethoxy-4-fluorobenzyl)piperidin-4-ylam...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)C(N)=O)cc(OCC)c1F
Show InChI InChI=1S/C24H29FN4O4/c1-3-31-20-11-15(12-21(22(20)25)32-4-2)14-29-9-7-17(8-10-29)27-24-28-18-13-16(23(26)30)5-6-19(18)33-24/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H2,26,30)(H,27,28)
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8n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263640
PNG
(CHEMBL4084048)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OCC2CC2)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C26H24ClFN6O3/c27-20-11-17(3-8-23(20)37-14-16-1-2-16)12-21(25(36)32-26(15-29)9-10-26)31-24(35)22-13-30-34(33-22)19-6-4-18(28)5-7-19/h3-8,11,13,16,21H,1-2,9-10,12,14H2,(H,31,35)(H,32,36)/t21-/m0/s1
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9n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263641
PNG
(CHEMBL4094298)
Show SMILES COCCOc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2ccc(F)cc2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C25H24ClFN6O4/c1-36-10-11-37-22-7-2-16(12-19(22)26)13-20(24(35)31-25(15-28)8-9-25)30-23(34)21-14-29-33(32-21)18-5-3-17(27)4-6-18/h2-7,12,14,20H,8-11,13H2,1H3,(H,30,34)(H,31,35)/t20-/m0/s1
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9n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263593
PNG
(CHEMBL4096787)
Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2ccc(Cl)cc2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C23H17Cl2F3N6O3/c24-14-2-4-15(5-3-14)34-30-11-18(33-34)20(35)31-17(21(36)32-22(12-29)7-8-22)10-13-1-6-19(16(25)9-13)37-23(26,27)28/h1-6,9,11,17H,7-8,10H2,(H,31,35)(H,32,36)/t17-/m0/s1
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10n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50263608
PNG
(CHEMBL4093144)
Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCC2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C21H20ClF3N6O3/c22-14-8-12(4-5-17(14)34-21(23,24)25)9-15(19(33)29-20(11-26)6-7-20)28-18(32)16-10-27-31(30-16)13-2-1-3-13/h4-5,8,10,13,15H,1-3,6-7,9H2,(H,28,32)(H,29,33)/t15-/m0/s1
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11n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263608
PNG
(CHEMBL4093144)
Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCC2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C21H20ClF3N6O3/c22-14-8-12(4-5-17(14)34-21(23,24)25)9-15(19(33)29-20(11-26)6-7-20)28-18(32)16-10-27-31(30-16)13-2-1-3-13/h4-5,8,10,13,15H,1-3,6-7,9H2,(H,28,32)(H,29,33)/t15-/m0/s1
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11n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263648
PNG
(CHEMBL4095566)
Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCCCC2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C23H24ClF3N6O3/c24-16-10-14(6-7-19(16)36-23(25,26)27)11-17(21(35)31-22(13-28)8-9-22)30-20(34)18-12-29-33(32-18)15-4-2-1-3-5-15/h6-7,10,12,15,17H,1-5,8-9,11H2,(H,30,34)(H,31,35)/t17-/m0/s1
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12n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227099
PNG
(2-(1-(4-amino-3,5-diethoxybenzyl)piperidin-4-ylami...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(N)(=O)=O)cc(OCC)c1N
Show InChI InChI=1S/C23H31N5O5S/c1-3-31-20-11-15(12-21(22(20)24)32-4-2)14-28-9-7-16(8-10-28)26-23-27-18-13-17(34(25,29)30)5-6-19(18)33-23/h5-6,11-13,16H,3-4,7-10,14,24H2,1-2H3,(H,26,27)(H2,25,29,30)
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13n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50263604
PNG
(CHEMBL4085387)
Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCNC2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C21H21ClF3N7O3/c22-14-7-12(1-2-17(14)35-21(23,24)25)8-15(19(34)30-20(11-26)4-5-20)29-18(33)16-10-28-32(31-16)13-3-6-27-9-13/h1-2,7,10,13,15,27H,3-6,8-9H2,(H,29,33)(H,30,34)/t13?,15-/m0/s1
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14n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263625
PNG
(CHEMBL4060895)
Show SMILES Fc1ccc(cn1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C22H16ClF4N7O3/c23-14-7-12(1-3-17(14)37-22(25,26)27)8-15(20(36)32-21(11-28)5-6-21)31-19(35)16-10-30-34(33-16)13-2-4-18(24)29-9-13/h1-4,7,9-10,15H,5-6,8H2,(H,31,35)(H,32,36)/t15-/m0/s1
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14n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50263623
PNG
(CHEMBL4093444)
Show SMILES Cn1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C18H16ClF3N6O3/c1-28-24-8-13(27-28)15(29)25-12(16(30)26-17(9-23)4-5-17)7-10-2-3-14(11(19)6-10)31-18(20,21)22/h2-3,6,8,12H,4-5,7H2,1H3,(H,25,29)(H,26,30)/t12-/m0/s1
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15n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263687
PNG
(CHEMBL4099235)
Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2ccncc2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C22H17ClF3N7O3/c23-15-9-13(1-2-18(15)36-22(24,25)26)10-16(20(35)31-21(12-27)5-6-21)30-19(34)17-11-29-33(32-17)14-3-7-28-8-4-14/h1-4,7-9,11,16H,5-6,10H2,(H,30,34)(H,31,35)/t16-/m0/s1
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16n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263690
PNG
(CHEMBL4083441)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OCC2CCC2)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C27H26ClFN6O3/c28-21-12-18(4-9-24(21)38-15-17-2-1-3-17)13-22(26(37)33-27(16-30)10-11-27)32-25(36)23-14-31-35(34-23)20-7-5-19(29)6-8-20/h4-9,12,14,17,22H,1-3,10-11,13,15H2,(H,32,36)(H,33,37)/t22-/m0/s1
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16n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263642
PNG
(CHEMBL4081905)
Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C29H25FN6O3/c30-22-8-10-23(11-9-22)36-32-17-26(35-36)27(37)33-25(28(38)34-29(19-31)14-15-29)16-20-6-12-24(13-7-20)39-18-21-4-2-1-3-5-21/h1-13,17,25H,14-16,18H2,(H,33,37)(H,34,38)/t25-/m0/s1
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17n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263622
PNG
(CHEMBL4065829)
Show SMILES CC(C)n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C20H20ClF3N6O3/c1-11(2)30-26-9-15(29-30)17(31)27-14(18(32)28-19(10-25)5-6-19)8-12-3-4-16(13(21)7-12)33-20(22,23)24/h3-4,7,9,11,14H,5-6,8H2,1-2H3,(H,27,31)(H,28,32)/t14-/m0/s1
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18n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263649
PNG
(CHEMBL4078079)
Show SMILES FC1(F)CC(C1)n1ncc(n1)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C20H18Cl2F2N6O2/c21-13-2-1-11(5-14(13)22)6-15(18(32)28-19(10-25)3-4-19)27-17(31)16-9-26-30(29-16)12-7-20(23,24)8-12/h1-2,5,9,12,15H,3-4,6-8H2,(H,27,31)(H,28,32)/t15-/m0/s1
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18n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263605
PNG
(CHEMBL4075154)
Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CCOCC2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C22H22ClF3N6O4/c23-15-9-13(1-2-18(15)36-22(24,25)26)10-16(20(34)30-21(12-27)5-6-21)29-19(33)17-11-28-32(31-17)14-3-7-35-8-4-14/h1-2,9,11,14,16H,3-8,10H2,(H,29,33)(H,30,34)/t16-/m0/s1
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18n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50311336
PNG
(2-(1-(3,5-diethoxy-4-fluorobenzyl)piperidin-4-ylam...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccc(cc3o2)C(O)=O)cc(OCC)c1F
Show InChI InChI=1S/C24H28FN3O5/c1-3-31-20-11-15(12-21(22(20)25)32-4-2)14-28-9-7-17(8-10-28)26-24-27-18-6-5-16(23(29)30)13-19(18)33-24/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H,26,27)(H,29,30)
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18n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263626
PNG
(CHEMBL4089084)
Show SMILES CSc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C24H20ClF3N6O3S/c1-38-16-5-3-15(4-6-16)34-30-12-19(33-34)21(35)31-18(22(36)32-23(13-29)8-9-23)11-14-2-7-20(17(25)10-14)37-24(26,27)28/h2-7,10,12,18H,8-9,11H2,1H3,(H,31,35)(H,32,36)/t18-/m0/s1
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19n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263623
PNG
(CHEMBL4093444)
Show SMILES Cn1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C18H16ClF3N6O3/c1-28-24-8-13(27-28)15(29)25-12(16(30)26-17(9-23)4-5-17)7-10-2-3-14(11(19)6-10)31-18(20,21)22/h2-3,6,8,12H,4-5,7H2,1H3,(H,25,29)(H,26,30)/t12-/m0/s1
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23n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50311335
PNG
(2-(1-(4-chloro-3-ethoxybenzyl)piperidin-4-ylamino)...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccc(cc3o2)C(O)=O)ccc1Cl
Show InChI InChI=1S/C22H24ClN3O4/c1-2-29-19-11-14(3-5-17(19)23)13-26-9-7-16(8-10-26)24-22-25-18-6-4-15(21(27)28)12-20(18)30-22/h3-6,11-12,16H,2,7-10,13H2,1H3,(H,24,25)(H,27,28)
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23n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227119
PNG
(CHEMBL236588 | N-(1-(3-isobutoxy-4-methoxybenzyl)p...)
Show SMILES COc1ccc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc1OCC(C)C
Show InChI InChI=1S/C24H31N3O3/c1-17(2)16-29-23-14-18(8-9-22(23)28-3)15-27-12-10-19(11-13-27)25-24-26-20-6-4-5-7-21(20)30-24/h4-9,14,17,19H,10-13,15-16H2,1-3H3,(H,25,26)
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23n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263639
PNG
(CHEMBL4102031)
Show SMILES CC(C)C[C@H](NC(=O)c1cnn(n1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C19H21FN6O2/c1-12(2)9-15(18(28)24-19(11-21)7-8-19)23-17(27)16-10-22-26(25-16)14-5-3-13(20)4-6-14/h3-6,10,12,15H,7-9H2,1-2H3,(H,23,27)(H,24,28)/t15-/m0/s1
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23n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50263607
PNG
(CHEMBL4074099)
Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2COC2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C20H18ClF3N6O4/c21-13-5-11(1-2-16(13)34-20(22,23)24)6-14(18(32)28-19(10-25)3-4-19)27-17(31)15-7-26-30(29-15)12-8-33-9-12/h1-2,5,7,12,14H,3-4,6,8-9H2,(H,27,31)(H,28,32)/t14-/m0/s1
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25n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263688
PNG
(CHEMBL4069564)
Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2ccc(Br)cc2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C23H17BrClF3N6O3/c24-14-2-4-15(5-3-14)34-30-11-18(33-34)20(35)31-17(21(36)32-22(12-29)7-8-22)10-13-1-6-19(16(25)9-13)37-23(26,27)28/h1-6,9,11,17H,7-8,10H2,(H,31,35)(H,32,36)/t17-/m0/s1
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25n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50311324
PNG
(CHEMBL1078895 | N-(1-(3,5-diisopropoxybenzyl)piper...)
Show SMILES CC(C)Oc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc(OC(C)C)c1
Show InChI InChI=1S/C25H33N3O3/c1-17(2)29-21-13-19(14-22(15-21)30-18(3)4)16-28-11-9-20(10-12-28)26-25-27-23-7-5-6-8-24(23)31-25/h5-8,13-15,17-18,20H,9-12,16H2,1-4H3,(H,26,27)
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31n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263635
PNG
(CHEMBL4065483)
Show SMILES CC(C)(C)n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
Show InChI InChI=1S/C21H22ClF3N6O3/c1-19(2,3)31-27-10-15(30-31)17(32)28-14(18(33)29-20(11-26)6-7-20)9-12-4-5-16(13(22)8-12)34-21(23,24)25/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,28,32)(H,29,33)/t14-/m0/s1
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31n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263607
PNG
(CHEMBL4074099)
Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2COC2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C20H18ClF3N6O4/c21-13-5-11(1-2-16(13)34-20(22,23)24)6-14(18(32)28-19(10-25)3-4-19)27-17(31)15-7-26-30(29-15)12-8-33-9-12/h1-2,5,7,12,14H,3-4,6,8-9H2,(H,27,31)(H,28,32)/t14-/m0/s1
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31n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50311365
PNG
(CHEMBL1078449 | N-(1-(4-amino-3,5-diethoxybenzyl)p...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc(OCC)c1N
Show InChI InChI=1S/C23H30N4O3/c1-3-28-20-13-16(14-21(22(20)24)29-4-2)15-27-11-9-17(10-12-27)25-23-26-18-7-5-6-8-19(18)30-23/h5-8,13-14,17H,3-4,9-12,15,24H2,1-2H3,(H,25,26)
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33n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263650
PNG
(CHEMBL4102351)
Show SMILES Clc1ccc(C[C@H](NC(=O)c2cnn(n2)C2COC2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C19H18Cl2N6O3/c20-13-2-1-11(5-14(13)21)6-15(18(29)25-19(10-22)3-4-19)24-17(28)16-7-23-27(26-16)12-8-30-9-12/h1-2,5,7,12,15H,3-4,6,8-9H2,(H,24,28)(H,25,29)/t15-/m0/s1
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33n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263624
PNG
(CHEMBL4081213)
Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2cccnc2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C22H17ClF3N7O3/c23-15-8-13(3-4-18(15)36-22(24,25)26)9-16(20(35)31-21(12-27)5-6-21)30-19(34)17-11-29-33(32-17)14-2-1-7-28-10-14/h1-4,7-8,10-11,16H,5-6,9H2,(H,30,34)(H,31,35)/t16-/m0/s1
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36n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227117
PNG
(CHEMBL236611 | N-(1-(3-ethoxy-4-methylbenzyl)piper...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1C
Show InChI InChI=1S/C22H27N3O2/c1-3-26-21-14-17(9-8-16(21)2)15-25-12-10-18(11-13-25)23-22-24-19-6-4-5-7-20(19)27-22/h4-9,14,18H,3,10-13,15H2,1-2H3,(H,23,24)
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37n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50227111
PNG
(CHEMBL236587 | N-(1-(3-ethoxy-4-methoxybenzyl)pipe...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1OC
Show InChI InChI=1S/C22H27N3O3/c1-3-27-21-14-16(8-9-20(21)26-2)15-25-12-10-17(11-13-25)23-22-24-18-6-4-5-7-19(18)28-22/h4-9,14,17H,3,10-13,15H2,1-2H3,(H,23,24)
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41n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50263606
PNG
(CHEMBL4100863)
Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)C2CC(F)(F)C2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Show InChI InChI=1S/C21H18ClF5N6O3/c22-13-5-11(1-2-16(13)36-21(25,26)27)6-14(18(35)31-19(10-28)3-4-19)30-17(34)15-9-29-33(32-15)12-7-20(23,24)8-12/h1-2,5,9,12,14H,3-4,6-8H2,(H,30,34)(H,31,35)/t14-/m0/s1
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41n/an/an/an/an/an/an/an/a



Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method


J Med Chem 61: 3370-3388 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01870
BindingDB Entry DOI: 10.7270/Q2MC92GH
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50311328
PNG
(2-(1-(3,5-diethoxy-4-(1H-pyrrol-1-yl)benzyl)piperi...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(=O)(=O)N(C)C)cc(OCC)c1-n1cccc1
Show InChI InChI=1S/C29H37N5O5S/c1-5-37-26-17-21(18-27(38-6-2)28(26)34-13-7-8-14-34)20-33-15-11-22(12-16-33)30-29-31-24-19-23(9-10-25(24)39-29)40(35,36)32(3)4/h7-10,13-14,17-19,22H,5-6,11-12,15-16,20H2,1-4H3,(H,30,31)
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52n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
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