Compile Data Set for Download or QSAR

Found 241 hits with Last Name = 'krauth-siegel' and Initial = 'rl'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50258507 (CHEMBL4078345) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H32N2O4/c1-23(33)17-19-27(20-18-24-11-5-2-6-12-24)31-29(34)28(21-25-13-7-3-8-14-25)32-30(35)36-22-26-15-9-4-10-16-26/h2-17,19,27-28H,18,20-22H2,1H3,(H,31,34)(H,32,35)/b19-17+/t27-,28+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fl...				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50258514 (CHEMBL4062015) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C30H31N3O6/c1-22(34)12-16-26(17-13-23-8-4-2-5-9-23)31-29(35)28(20-24-10-6-3-7-11-24)32-30(36)39-21-25-14-18-27(19-15-25)33(37)38/h2-12,14-16,18-19,26,28H,13,17,20-21H2,1H3,(H,31,35)(H,32,36)/b16-12+/t26-,28+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fl...				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50258507 (CHEMBL4078345) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H32N2O4/c1-23(33)17-19-27(20-18-24-11-5-2-6-12-24)31-29(34)28(21-25-13-7-3-8-14-25)32-30(35)36-22-26-15-9-4-10-16-26/h2-17,19,27-28H,18,20-22H2,1H3,(H,31,34)(H,32,35)/b19-17+/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Cbz-Phe-Arg-AMC as substrate after 10 mins by fluorescence assay				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50201259 (CHEMBL3907022) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C21H23N3O5/c1-16(12-13-24(27)28)22-20(25)19(14-17-8-4-2-5-9-17)23-21(26)29-15-18-10-6-3-7-11-18/h2-13,16,19H,14-15H2,1H3,(H,22,25)(H,23,26)/b13-12+/t16-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50201259 (CHEMBL3907022) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C21H23N3O5/c1-16(12-13-24(27)28)22-20(25)19(14-17-8-4-2-5-9-17)23-21(26)29-15-18-10-6-3-7-11-18/h2-13,16,19H,14-15H2,1H3,(H,22,25)(H,23,26)/b13-12+/t16-,19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores...				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50258506 (CHEMBL4072275) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(C)=O |r| Show InChI InChI=1S/C27H34N2O4/c1-20(2)18-25(29-27(32)33-19-23-12-8-5-9-13-23)26(31)28-24(16-14-21(3)30)17-15-22-10-6-4-7-11-22/h4-14,16,20,24-25H,15,17-19H2,1-3H3,(H,28,31)(H,29,32)/b16-14+/t24-,25+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fl...				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50258515 (CHEMBL4083754) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C31H36N2O5S/c1-24(2)22-29(33-31(35)38-23-26-14-8-4-9-15-26)30(34)32-27(19-18-25-12-6-3-7-13-25)20-21-39(36,37)28-16-10-5-11-17-28/h3-17,20-21,24,27,29H,18-19,22-23H2,1-2H3,(H,32,34)(H,33,35)/b21-20+/t27-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Cbz-Phe-Arg-AMC as substrate after 10 mins by fluorescence assay				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50258544 (CHEMBL4096388) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(C)=O |r| Show InChI InChI=1S/C27H33N3O6/c1-19(2)17-25(29-27(33)36-18-22-11-15-24(16-12-22)30(34)35)26(32)28-23(13-9-20(3)31)14-10-21-7-5-4-6-8-21/h4-9,11-13,15-16,19,23,25H,10,14,17-18H2,1-3H3,(H,28,32)(H,29,33)/b13-9+/t23-,25+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fl...				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50258542 (CHEMBL4082758) Show SMILES COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H32N2O5/c1-36-28(33)20-19-26(18-17-23-11-5-2-6-12-23)31-29(34)27(21-24-13-7-3-8-14-24)32-30(35)37-22-25-15-9-4-10-16-25/h2-16,19-20,26-27H,17-18,21-22H2,1H3,(H,31,34)(H,32,35)/b20-19+/t26-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fl...				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50258514 (CHEMBL4062015) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C30H31N3O6/c1-22(34)12-16-26(17-13-23-8-4-2-5-9-23)31-29(35)28(20-24-10-6-3-7-11-24)32-30(36)39-21-25-14-18-27(19-15-25)33(37)38/h2-12,14-16,18-19,26,28H,13,17,20-21H2,1H3,(H,31,35)(H,32,36)/b16-12+/t26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Cbz-Phe-Arg-AMC as substrate after 10 mins by fluorescence assay				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50258544 (CHEMBL4096388) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(C)=O |r| Show InChI InChI=1S/C27H33N3O6/c1-19(2)17-25(29-27(33)36-18-22-11-15-24(16-12-22)30(34)35)26(32)28-23(13-9-20(3)31)14-10-21-7-5-4-6-8-21/h4-9,11-13,15-16,19,23,25H,10,14,17-18H2,1-3H3,(H,28,32)(H,29,33)/b13-9+/t23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Cbz-Phe-Arg-AMC as substrate after 10 mins by fluorescence assay				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50258500 (CHEMBL4093034) Show SMILES COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C30H31N3O7/c1-39-28(34)19-16-25(15-12-22-8-4-2-5-9-22)31-29(35)27(20-23-10-6-3-7-11-23)32-30(36)40-21-24-13-17-26(18-14-24)33(37)38/h2-11,13-14,16-19,25,27H,12,15,20-21H2,1H3,(H,31,35)(H,32,36)/b19-16+/t25-,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fl...				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50201212 (CHEMBL3974129) Show SMILES [O-][N+](=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C28H29N3O5/c32-27(29-25(18-19-31(34)35)17-16-22-10-4-1-5-11-22)26(20-23-12-6-2-7-13-23)30-28(33)36-21-24-14-8-3-9-15-24/h1-15,18-19,25-26H,16-17,20-21H2,(H,29,32)(H,30,33)/b19-18+/t25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores...				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50258523 (CHEMBL2402204) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)OCc1ccccc1 |r| Show InChI InChI=1S/C34H34N2O5S/c37-33(32(25-28-15-7-2-8-16-28)36-34(38)41-26-29-17-9-3-10-18-29)35-30(22-21-27-13-5-1-6-14-27)23-24-42(39,40)31-19-11-4-12-20-31/h1-20,23-24,30,32H,21-22,25-26H2,(H,35,37)(H,36,38)/b24-23+/t30-,32-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fl...				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50201213 (CHEMBL3934979) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-21(13-14-27(30)31)25-23(28)22(16-19-9-5-3-6-10-19)26-24(29)32-17-20-11-7-4-8-12-20/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores...				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50258524 (CHEMBL4081250) Show SMILES [O-][N+](=O)c1ccc(COC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C34H33N3O7S/c38-33(35-29(19-16-26-10-4-1-5-11-26)22-23-45(42,43)31-14-8-3-9-15-31)32(24-27-12-6-2-7-13-27)36-34(39)44-25-28-17-20-30(21-18-28)37(40)41/h1-15,17-18,20-23,29,32H,16,19,24-25H2,(H,35,38)(H,36,39)/b23-22+/t29-,32-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fl...				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50258498 (CHEMBL4101714) Show SMILES COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H34N2O5/c1-20(2)18-24(29-27(32)34-19-22-12-8-5-9-13-22)26(31)28-23(16-17-25(30)33-3)15-14-21-10-6-4-7-11-21/h4-13,16-17,20,23-24H,14-15,18-19H2,1-3H3,(H,28,31)(H,29,32)/b17-16+/t23-,24-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fl...				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50201259 (CHEMBL3907022) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C21H23N3O5/c1-16(12-13-24(27)28)22-20(25)19(14-17-8-4-2-5-9-17)23-21(26)29-15-18-10-6-3-7-11-18/h2-13,16,19H,14-15H2,1H3,(H,22,25)(H,23,26)/b13-12+/t16-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50258515 (CHEMBL4083754) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C31H36N2O5S/c1-24(2)22-29(33-31(35)38-23-26-14-8-4-9-15-26)30(34)32-27(19-18-25-12-6-3-7-13-25)20-21-39(36,37)28-16-10-5-11-17-28/h3-17,20-21,24,27,29H,18-19,22-23H2,1-2H3,(H,32,34)(H,33,35)/b21-20+/t27-,29-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fl...				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50201212 (CHEMBL3974129) Show SMILES [O-][N+](=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C28H29N3O5/c32-27(29-25(18-19-31(34)35)17-16-22-10-4-1-5-11-22)26(20-23-12-6-2-7-13-23)30-28(33)36-21-24-14-8-3-9-15-24/h1-15,18-19,25-26H,16-17,20-21H2,(H,29,32)(H,30,33)/b19-18+/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50201259 (CHEMBL3907022) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C21H23N3O5/c1-16(12-13-24(27)28)22-20(25)19(14-17-8-4-2-5-9-17)23-21(26)29-15-18-10-6-3-7-11-18/h2-13,16,19H,14-15H2,1H3,(H,22,25)(H,23,26)/b13-12+/t16-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50258543 (CHEMBL4070637) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C31H35N3O7S/c1-23(2)21-29(33-31(36)41-22-25-14-17-27(18-15-25)34(37)38)30(35)32-26(16-13-24-9-5-3-6-10-24)19-20-42(39,40)28-11-7-4-8-12-28/h3-12,14-15,17-20,23,26,29H,13,16,21-22H2,1-2H3,(H,32,35)(H,33,36)/b20-19+/t26-,29-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fl...				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50201211 (CHEMBL3930083) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C25H31N3O5/c1-19(2)17-23(27-25(30)33-18-21-11-7-4-8-12-21)24(29)26-22(15-16-28(31)32)14-13-20-9-5-3-6-10-20/h3-12,15-16,19,22-23H,13-14,17-18H2,1-2H3,(H,26,29)(H,27,30)/b16-15+/t22-,23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores...				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50201213 (CHEMBL3934979) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-21(13-14-27(30)31)25-23(28)22(16-19-9-5-3-6-10-19)26-24(29)32-17-20-11-7-4-8-12-20/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50258499 (CHEMBL4100751) Show SMILES COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C27H33N3O7/c1-19(2)17-24(29-27(33)37-18-21-10-14-23(15-11-21)30(34)35)26(32)28-22(13-16-25(31)36-3)12-9-20-7-5-4-6-8-20/h4-8,10-11,13-16,19,22,24H,9,12,17-18H2,1-3H3,(H,28,32)(H,29,33)/b16-13+/t22-,24-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fl...				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50201211 (CHEMBL3930083) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C25H31N3O5/c1-19(2)17-23(27-25(30)33-18-21-11-7-4-8-12-21)24(29)26-22(15-16-28(31)32)14-13-20-9-5-3-6-10-20/h3-12,15-16,19,22-23H,13-14,17-18H2,1-2H3,(H,26,29)(H,27,30)/b16-15+/t22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50201258 (CHEMBL3893138) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-22(26-24(29)32-17-20-11-7-4-8-12-20)23(28)25-21(13-14-27(30)31)16-19-9-5-3-6-10-19/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores...				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50201260 (CHEMBL3921142) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C21H31N3O5/c1-15(2)12-18(10-11-24(27)28)22-20(25)19(13-16(3)4)23-21(26)29-14-17-8-6-5-7-9-17/h5-11,15-16,18-19H,12-14H2,1-4H3,(H,22,25)(H,23,26)/b11-10+/t18-,19+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores...				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50229129 (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	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores...				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50201212 (CHEMBL3974129) Show SMILES [O-][N+](=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C28H29N3O5/c32-27(29-25(18-19-31(34)35)17-16-22-10-4-1-5-11-22)26(20-23-12-6-2-7-13-23)30-28(33)36-21-24-14-8-3-9-15-24/h1-15,18-19,25-26H,16-17,20-21H2,(H,29,32)(H,30,33)/b19-18+/t25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50258500 (CHEMBL4093034) Show SMILES COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C30H31N3O7/c1-39-28(34)19-16-25(15-12-22-8-4-2-5-9-22)31-29(35)27(20-23-10-6-3-7-11-23)32-30(36)40-21-24-13-17-26(18-14-24)33(37)38/h2-11,13-14,16-19,25,27H,12,15,20-21H2,1H3,(H,31,35)(H,32,36)/b19-16+/t25-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Cbz-Phe-Arg-AMC as substrate after 10 mins by fluorescence assay				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50201260 (CHEMBL3921142) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C21H31N3O5/c1-15(2)12-18(10-11-24(27)28)22-20(25)19(13-16(3)4)23-21(26)29-14-17-8-6-5-7-9-17/h5-11,15-16,18-19H,12-14H2,1-4H3,(H,22,25)(H,23,26)/b11-10+/t18-,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50201211 (CHEMBL3930083) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C25H31N3O5/c1-19(2)17-23(27-25(30)33-18-21-11-7-4-8-12-21)24(29)26-22(15-16-28(31)32)14-13-20-9-5-3-6-10-20/h3-12,15-16,19,22-23H,13-14,17-18H2,1-2H3,(H,26,29)(H,27,30)/b16-15+/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50258542 (CHEMBL4082758) Show SMILES COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H32N2O5/c1-36-28(33)20-19-26(18-17-23-11-5-2-6-12-23)31-29(34)27(21-24-13-7-3-8-14-24)32-30(35)37-22-25-15-9-4-10-16-25/h2-16,19-20,26-27H,17-18,21-22H2,1H3,(H,31,34)(H,32,35)/b20-19+/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Cbz-Phe-Arg-AMC as substrate after 10 mins by fluorescence assay				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50201258 (CHEMBL3893138) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-22(26-24(29)32-17-20-11-7-4-8-12-20)23(28)25-21(13-14-27(30)31)16-19-9-5-3-6-10-19/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50201214 (CHEMBL3903171) Show SMILES [O-][N+](=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H27N3O5/c31-26(28-24(16-17-30(33)34)18-21-10-4-1-5-11-21)25(19-22-12-6-2-7-13-22)29-27(32)35-20-23-14-8-3-9-15-23/h1-17,24-25H,18-20H2,(H,28,31)(H,29,32)/b17-16+/t24-,25+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores...				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50201213 (CHEMBL3934979) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-21(13-14-27(30)31)25-23(28)22(16-19-9-5-3-6-10-19)26-24(29)32-17-20-11-7-4-8-12-20/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50157741 (CHEMBL374508 | E-64 | E64) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Cbz-Phe-Arg-AMC as substrate after 10 mins by fluorescence assay				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50201261 (CHEMBL3982135) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C18H25N3O5/c1-13(2)11-16(17(22)19-14(3)9-10-21(24)25)20-18(23)26-12-15-7-5-4-6-8-15/h4-10,13-14,16H,11-12H2,1-3H3,(H,19,22)(H,20,23)/b10-9+/t14-,16-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores...				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50201212 (CHEMBL3974129) Show SMILES [O-][N+](=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C28H29N3O5/c32-27(29-25(18-19-31(34)35)17-16-22-10-4-1-5-11-22)26(20-23-12-6-2-7-13-23)30-28(33)36-21-24-14-8-3-9-15-24/h1-15,18-19,25-26H,16-17,20-21H2,(H,29,32)(H,30,33)/b19-18+/t25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50157741 (CHEMBL374508 | E-64 | E64) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fl...				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50258498 (CHEMBL4101714) Show SMILES COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H34N2O5/c1-20(2)18-24(29-27(32)34-19-22-12-8-5-9-13-22)26(31)28-23(16-17-25(30)33-3)15-14-21-10-6-4-7-11-21/h4-13,16-17,20,23-24H,14-15,18-19H2,1-3H3,(H,28,31)(H,29,32)/b17-16+/t23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Cbz-Phe-Arg-AMC as substrate after 10 mins by fluorescence assay				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50258499 (CHEMBL4100751) Show SMILES COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C27H33N3O7/c1-19(2)17-24(29-27(33)37-18-21-10-14-23(15-11-21)30(34)35)26(32)28-22(13-16-25(31)36-3)12-9-20-7-5-4-6-8-20/h4-8,10-11,13-16,19,22,24H,9,12,17-18H2,1-3H3,(H,28,32)(H,29,33)/b16-13+/t22-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Cbz-Phe-Arg-AMC as substrate after 10 mins by fluorescence assay				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50258524 (CHEMBL4081250) Show SMILES [O-][N+](=O)c1ccc(COC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C34H33N3O7S/c38-33(35-29(19-16-26-10-4-1-5-11-26)22-23-45(42,43)31-14-8-3-9-15-31)32(24-27-12-6-2-7-13-27)36-34(39)44-25-28-17-20-30(21-18-28)37(40)41/h1-15,17-18,20-23,29,32H,16,19,24-25H2,(H,35,38)(H,36,39)/b23-22+/t29-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Cbz-Phe-Arg-AMC as substrate after 10 mins by fluorescence assay				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50201260 (CHEMBL3921142) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C21H31N3O5/c1-15(2)12-18(10-11-24(27)28)22-20(25)19(13-16(3)4)23-21(26)29-14-17-8-6-5-7-9-17/h5-11,15-16,18-19H,12-14H2,1-4H3,(H,22,25)(H,23,26)/b11-10+/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50258541 (CHEMBL4060936) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\C#N)OCc1ccccc1 |r| Show InChI InChI=1S/C29H29N3O3/c30-20-10-17-26(19-18-23-11-4-1-5-12-23)31-28(33)27(21-24-13-6-2-7-14-24)32-29(34)35-22-25-15-8-3-9-16-25/h1-17,26-27H,18-19,21-22H2,(H,31,33)(H,32,34)/b17-10+/t26-,27+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fl...				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50201258 (CHEMBL3893138) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-22(26-24(29)32-17-20-11-7-4-8-12-20)23(28)25-21(13-14-27(30)31)16-19-9-5-3-6-10-19/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50201257 (CHEMBL3912190) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C(/C)[N+]([O-])=O |r| Show InChI InChI=1S/C22H25N3O5/c1-16(13-17(2)25(28)29)23-21(26)20(14-18-9-5-3-6-10-18)24-22(27)30-15-19-11-7-4-8-12-19/h3-13,16,20H,14-15H2,1-2H3,(H,23,26)(H,24,27)/b17-13+/t16-,20-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores...				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50258537 (CHEMBL4099269) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\C#N |r| Show InChI InChI=1S/C26H31N3O3/c1-20(2)18-24(29-26(31)32-19-22-12-7-4-8-13-22)25(30)28-23(14-9-17-27)16-15-21-10-5-3-6-11-21/h3-14,20,23-24H,15-16,18-19H2,1-2H3,(H,28,30)(H,29,31)/b14-9+/t23-,24+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina , Viale Annunziata, 98168 Messina, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fl...				J Med Chem 60: 6911-6923 (2017) Article DOI: 10.1021/acs.jmedchem.7b00405 BindingDB Entry DOI: 10.7270/Q2FJ2K73
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50201213 (CHEMBL3934979) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-21(13-14-27(30)31)25-23(28)22(16-19-9-5-3-6-10-19)26-24(29)32-17-20-11-7-4-8-12-20/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair

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