Compile Data Set for Download or QSAR

Found 3920 hits Enz. Inhib. hit(s) with Target = 'Cysteine protease'   

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)	BDBM50509389 (CHEMBL4566436) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1F |r| Show InChI InChI=1S/C29H28F2N2O3/c1-20(34)12-15-24(16-13-21-8-4-2-5-9-21)32-29(36)27(18-22-10-6-3-7-11-22)33-28(35)25-17-14-23(30)19-26(25)31/h2-12,14-15,17,19,24,27H,13,16,18H2,1H3,(H,32,36)(H,33,35)/b15-12+/t24-,27+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.000600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris assessed as inhibition constant measured for 30 mins using Cbz-Ph...				J Med Chem 62: 10617-10629 (2019) Article DOI: 10.1021/acs.jmedchem.9b00908 BindingDB Entry DOI: 10.7270/Q2Z60SCT
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50509387 (CHEMBL4475066) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C29H29FN2O3/c1-21(33)12-18-26(19-13-22-8-4-2-5-9-22)31-29(35)27(20-23-10-6-3-7-11-23)32-28(34)24-14-16-25(30)17-15-24/h2-12,14-18,26-27H,13,19-20H2,1H3,(H,31,35)(H,32,34)/b18-12+/t26-,27+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris assessed as inhibition constant measured for 30 mins using Cbz-Ph...				J Med Chem 62: 10617-10629 (2019) Article DOI: 10.1021/acs.jmedchem.9b00908 BindingDB Entry DOI: 10.7270/Q2Z60SCT
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50160957 (CHEMBL179503 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...) Show SMILES CCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C27H43N7O6/c1-8-10-11-12-33(7)15-21(35)18(13-23(36)37)29-25(38)20(9-2)34-16-22(27(4,5)6)30-24(26(34)39)28-14-19-17(3)31-40-32-19/h16,18,20H,8-15H2,1-7H3,(H,28,30)(H,29,38)(H,36,37)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cells				Bioorg Med Chem Lett 15: 1173-80 (2005) Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50509386 (CHEMBL4515298) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1F |r| Show InChI InChI=1S/C29H29FN2O3/c1-21(33)16-18-24(19-17-22-10-4-2-5-11-22)31-29(35)27(20-23-12-6-3-7-13-23)32-28(34)25-14-8-9-15-26(25)30/h2-16,18,24,27H,17,19-20H2,1H3,(H,31,35)(H,32,34)/b18-16+/t24-,27+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris assessed as inhibition constant measured for 30 mins using Cbz-Ph...				J Med Chem 62: 10617-10629 (2019) Article DOI: 10.1021/acs.jmedchem.9b00908 BindingDB Entry DOI: 10.7270/Q2Z60SCT
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50509388 (CHEMBL4587965) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C30H29F3N2O3/c1-21(36)12-18-26(19-13-22-8-4-2-5-9-22)34-29(38)27(20-23-10-6-3-7-11-23)35-28(37)24-14-16-25(17-15-24)30(31,32)33/h2-12,14-18,26-27H,13,19-20H2,1H3,(H,34,38)(H,35,37)/b18-12+/t26-,27+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris assessed as inhibition constant measured for 30 mins using Cbz-Ph...				J Med Chem 62: 10617-10629 (2019) Article DOI: 10.1021/acs.jmedchem.9b00908 BindingDB Entry DOI: 10.7270/Q2Z60SCT
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50160974 (CHEMBL366927 | [3-(2-{5-tert-Butyl-3-[(4-methyl-fu...) Show SMILES CCCCCC[NH+](C)CC(=O)C(CC(O)=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C28H45N7O6/c1-8-10-11-12-13-34(7)16-22(36)19(14-24(37)38)30-26(39)21(9-2)35-17-23(28(4,5)6)31-25(27(35)40)29-15-20-18(3)32-41-33-20/h17,19,21H,8-16H2,1-7H3,(H,29,31)(H,30,39)(H,37,38)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cells				Bioorg Med Chem Lett 15: 1173-80 (2005) Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50509383 (CHEMBL4441635) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)cccc1F |r| Show InChI InChI=1S/C29H28F2N2O3/c1-20(34)15-17-23(18-16-21-9-4-2-5-10-21)32-28(35)26(19-22-11-6-3-7-12-22)33-29(36)27-24(30)13-8-14-25(27)31/h2-15,17,23,26H,16,18-19H2,1H3,(H,32,35)(H,33,36)/b17-15+/t23-,26+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris assessed as inhibition constant measured for 30 mins using Cbz-Ph...				J Med Chem 62: 10617-10629 (2019) Article DOI: 10.1021/acs.jmedchem.9b00908 BindingDB Entry DOI: 10.7270/Q2Z60SCT
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50509390 (CHEMBL4436812) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C29H28F2N2O3/c1-20(34)12-14-26(15-13-21-8-4-2-5-9-21)32-29(36)27(16-22-10-6-3-7-11-22)33-28(35)23-17-24(30)19-25(31)18-23/h2-12,14,17-19,26-27H,13,15-16H2,1H3,(H,32,36)(H,33,35)/b14-12+/t26-,27+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris assessed as inhibition constant measured for 30 mins using Cbz-Ph...				J Med Chem 62: 10617-10629 (2019) Article DOI: 10.1021/acs.jmedchem.9b00908 BindingDB Entry DOI: 10.7270/Q2Z60SCT
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50509381 (CHEMBL4453415) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C29H29FN2O3/c1-21(33)15-17-26(18-16-22-9-4-2-5-10-22)31-29(35)27(19-23-11-6-3-7-12-23)32-28(34)24-13-8-14-25(30)20-24/h2-15,17,20,26-27H,16,18-19H2,1H3,(H,31,35)(H,32,34)/b17-15+/t26-,27+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris assessed as inhibition constant measured for 30 mins using Cbz-Ph...				J Med Chem 62: 10617-10629 (2019) Article DOI: 10.1021/acs.jmedchem.9b00908 BindingDB Entry DOI: 10.7270/Q2Z60SCT
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50509394 (CHEMBL4584291) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H29ClN2O3/c1-21(33)12-18-26(19-13-22-8-4-2-5-9-22)31-29(35)27(20-23-10-6-3-7-11-23)32-28(34)24-14-16-25(30)17-15-24/h2-12,14-18,26-27H,13,19-20H2,1H3,(H,31,35)(H,32,34)/b18-12+/t26-,27+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris assessed as inhibition constant measured for 30 mins using Cbz-Ph...				J Med Chem 62: 10617-10629 (2019) Article DOI: 10.1021/acs.jmedchem.9b00908 BindingDB Entry DOI: 10.7270/Q2Z60SCT
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50509395 (CHEMBL4437914) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C30H30N2O5/c1-21(33)12-15-25(16-13-22-8-4-2-5-9-22)31-30(35)26(18-23-10-6-3-7-11-23)32-29(34)24-14-17-27-28(19-24)37-20-36-27/h2-12,14-15,17,19,25-26H,13,16,18,20H2,1H3,(H,31,35)(H,32,34)/b15-12+/t25-,26+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris assessed as inhibition constant measured for 30 mins using Cbz-Ph...				J Med Chem 62: 10617-10629 (2019) Article DOI: 10.1021/acs.jmedchem.9b00908 BindingDB Entry DOI: 10.7270/Q2Z60SCT
					More data for this Ligand-Target Pair
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
Caspase-3 (Homo sapiens (Human))	BDBM50546262 (CHEMBL4751195) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)CNc1ccc2oc(nc2c1)-c1ccc(cc1)N(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of caspase-3 (unknown origin) using Ac-DEVD-AMCA as substrate incubated for 5 mins by Dixon plot analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00242 BindingDB Entry DOI: 10.7270/Q2KD22HB
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50594411 (CHEMBL5173102) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00084 BindingDB Entry DOI: 10.7270/Q2862MF6
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50192784 ((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...) Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 Show InChI InChI=1S/C28H27FN2O6S/c29-14-16-36-23-10-8-20(9-11-23)18-30-26-13-12-24(17-25(26)27(32)28(30)33)38(34,35)31-15-4-5-21(31)19-37-22-6-2-1-3-7-22/h1-3,6-13,17,21H,4-5,14-16,18-19H2/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westfälische Wilhelms-Universität Curated by ChEMBL					Assay Description Binding affinity to human caspase 3				J Med Chem 49: 6704-15 (2006) Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10246 ((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.230	-55.0	n/a	n/a	n/a	n/a	n/a	7.5	25
Merck Research Laboratories					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Biol Chem 273: 32608-13 (1998) Article DOI: 10.1074/jbc.273.49.32608 BindingDB Entry DOI: 10.7270/Q26D5R5V
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50594420 (CHEMBL5200091) Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(C)cc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(C)=O |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00084 BindingDB Entry DOI: 10.7270/Q2862MF6
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574836 (CHEMBL4871105) Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)Oc2ccccc2)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured at second inhibition step by fluorome...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					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)	BDBM50509391 (CHEMBL4459413) Show SMILES CCC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H34N2O4/c1-2-28(34)21-20-27(19-18-24-12-6-3-7-13-24)32-30(35)29(22-25-14-8-4-9-15-25)33-31(36)37-23-26-16-10-5-11-17-26/h3-17,20-21,27,29H,2,18-19,22-23H2,1H3,(H,32,35)(H,33,36)/b21-20+/t27-,29-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris assessed as inhibition constant measured for 30 mins using Cbz-Ph...				J Med Chem 62: 10617-10629 (2019) Article DOI: 10.1021/acs.jmedchem.9b00908 BindingDB Entry DOI: 10.7270/Q2Z60SCT
					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
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50568077 (CHEMBL4865195) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC1=C(C#N)C(=O)c2ccccc2C1=O)C(O)=O |r,c:18| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Trypanosoma brucei rhodesain				Citation and Details Article DOI: 10.1016/j.bmc.2021.116213 BindingDB Entry DOI: 10.7270/Q2183B90
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50594413 (CHEMBL5209133) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00084 BindingDB Entry DOI: 10.7270/Q2862MF6
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50594417 (CHEMBL5170687) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)cc1C |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00084 BindingDB Entry DOI: 10.7270/Q2862MF6
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50509392 (CHEMBL4456010) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C31H32N2O5/c1-22(34)12-15-26(16-13-23-8-4-2-5-9-23)32-31(36)27(20-24-10-6-3-7-11-24)33-30(35)25-14-17-28-29(21-25)38-19-18-37-28/h2-12,14-15,17,21,26-27H,13,16,18-20H2,1H3,(H,32,36)(H,33,35)/b15-12+/t26-,27+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris assessed as inhibition constant measured for 30 mins using Cbz-Ph...				J Med Chem 62: 10617-10629 (2019) Article DOI: 10.1021/acs.jmedchem.9b00908 BindingDB Entry DOI: 10.7270/Q2Z60SCT
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50594416 (CHEMBL5207517) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00084 BindingDB Entry DOI: 10.7270/Q2862MF6
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50200312 ((S)-1-(4-(2-(4-methylphenylsulfonyloxy)ethoxy)benz...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCCOS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)C(=O)c2c1 Show InChI InChI=1S/C30H32N2O9S2/c1-21-5-11-25(12-6-21)43(37,38)41-17-16-40-24-9-7-22(8-10-24)19-31-28-14-13-26(18-27(28)29(33)30(31)34)42(35,36)32-15-3-4-23(32)20-39-2/h5-14,18,23H,3-4,15-17,19-20H2,1-2H3/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westfälische Wilhelms-Universität Curated by ChEMBL					Assay Description Binding affinity to human caspase 3				J Med Chem 49: 6704-15 (2006) Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50594414 (CHEMBL5186393) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00084 BindingDB Entry DOI: 10.7270/Q2862MF6
					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)	BDBM50594421 (CHEMBL5190766) Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(Cl)cc1C)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(C)=O |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00084 BindingDB Entry DOI: 10.7270/Q2862MF6
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263570 (CHEMBL4066422) Show SMILES Clc1cc2C[C@H](NC(=O)c3cc4ccccc4cc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:23| Show InChI InChI=1S/C28H24ClN3O4/c29-22-13-18-7-8-24(22)35-11-3-4-12-36-25-16-20-6-2-1-5-19(20)15-21(25)26(33)31-23(14-18)27(34)32-28(17-30)9-10-28/h1-8,13,15-16,23H,9-12,14H2,(H,31,33)(H,32,34)/b4-3+/t23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50594418 (CHEMBL5205818) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)cc1C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00084 BindingDB Entry DOI: 10.7270/Q2862MF6
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50594412 (CHEMBL5175052) Show SMILES COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)\C=C\C(C)=O)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00084 BindingDB Entry DOI: 10.7270/Q2862MF6
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50594415 (CHEMBL5176432) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1c(F)cccc1F |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00084 BindingDB Entry DOI: 10.7270/Q2862MF6
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10323 ((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with...				J Med Chem 44: 2015-26 (2001) Article DOI: 10.1021/jm0100537 BindingDB Entry DOI: 10.7270/Q2ZW1J42
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50200302 ((S)-5-(2-(methoxymethyl)pyrrolidin-1-ylsulfonyl)-1...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(C)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C15H18N2O5S/c1-16-13-6-5-11(8-12(13)14(18)15(16)19)23(20,21)17-7-3-4-10(17)9-22-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westfälische Wilhelms-Universität Curated by ChEMBL					Assay Description Binding affinity to human caspase 3				J Med Chem 49: 6704-15 (2006) Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50200305 ((S)-1-(4-iodobenzyl)-5-(2-phenoxymethyl-pyrrolidin...) Show SMILES Ic1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r| Show InChI InChI=1S/C26H23IN2O5S/c27-19-10-8-18(9-11-19)16-28-24-13-12-22(15-23(24)25(30)26(28)31)35(32,33)29-14-4-5-20(29)17-34-21-6-2-1-3-7-21/h1-3,6-13,15,20H,4-5,14,16-17H2/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westfälische Wilhelms-Universität Curated by ChEMBL					Assay Description Binding affinity to human caspase 3				J Med Chem 49: 6704-15 (2006) Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50574837 (CHEMBL4855902) Show SMILES Cc1ccc(C[C@H](NC(=O)c2cc[n+]([O-])cc2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)Oc2ccccc2)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured at second inhibition step by fluorome...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01002 BindingDB Entry DOI: 10.7270/Q2CC14G4
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50509384 (CHEMBL4456727) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(C)=O |r| Show InChI InChI=1S/C28H36N4O3/c1-22(33)13-15-25(16-14-23-9-5-3-6-10-23)29-27(34)26(21-24-11-7-4-8-12-24)30-28(35)32-19-17-31(2)18-20-32/h3-13,15,25-26H,14,16-21H2,1-2H3,(H,29,34)(H,30,35)/b15-13+/t25-,26+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris assessed as inhibition constant measured for 30 mins using Cbz-Ph...				J Med Chem 62: 10617-10629 (2019) Article DOI: 10.1021/acs.jmedchem.9b00908 BindingDB Entry DOI: 10.7270/Q2Z60SCT
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50200308 ((S)-1-(4-(tert-butyldimethylsilyloxy)benzyl)-5-[1-...) Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(O[Si](C)(C)C(C)(C)C)cc3)C(=O)C(=O)c2c1 Show InChI InChI=1S/C27H36N2O6SSi/c1-27(2,3)37(5,6)35-21-11-9-19(10-12-21)17-28-24-14-13-22(16-23(24)25(30)26(28)31)36(32,33)29-15-7-8-20(29)18-34-4/h9-14,16,20H,7-8,15,17-18H2,1-6H3/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westfälische Wilhelms-Universität Curated by ChEMBL					Assay Description Binding affinity to human caspase 3				J Med Chem 49: 6704-15 (2006) Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1
					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
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263572 (CHEMBL4092050) Show SMILES Fc1ccc(cc1)-c1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:14| Show InChI InChI=1S/C30H25ClFN3O4/c31-24-15-19-3-9-27(24)39-14-2-1-13-38-26-10-6-21(20-4-7-22(32)8-5-20)17-23(26)28(36)34-25(16-19)29(37)35-30(18-33)11-12-30/h1-10,15,17,25H,11-14,16H2,(H,34,36)(H,35,37)/b2-1+/t25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263634 (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	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50505323 (CHEMBL4556848) Show SMILES CCC[C@H]1CC[C@@H](CC1)N(Cc1ccc2OCOc2c1)c1nc(nc(n1)N1CCOCC1)C#N |r,wU:6.9,wD:3.2,(35.77,-15.92,;34.44,-15.15,;33.11,-15.91,;31.77,-15.14,;31.78,-13.6,;30.44,-12.82,;29.12,-13.59,;29.11,-15.13,;30.44,-15.9,;27.78,-12.82,;26.45,-13.59,;26.45,-15.13,;27.78,-15.89,;27.79,-17.43,;26.45,-18.21,;26.13,-19.72,;24.59,-19.88,;23.96,-18.47,;25.11,-17.43,;25.11,-15.9,;27.78,-11.28,;29.12,-10.51,;29.12,-8.96,;27.78,-8.2,;26.45,-8.97,;26.45,-10.51,;25.12,-8.2,;25.12,-6.65,;23.8,-5.88,;22.46,-6.64,;22.45,-8.18,;23.79,-8.96,;30.44,-8.18,;31.77,-7.41,)| Show InChI InChI=1S/C25H32N6O3/c1-2-3-18-4-7-20(8-5-18)31(16-19-6-9-21-22(14-19)34-17-33-21)25-28-23(15-26)27-24(29-25)30-10-12-32-13-11-30/h6,9,14,18,20H,2-5,7-8,10-13,16-17H2,1H3/t18-,20-	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain				J Med Chem 62: 10497-10525 (2019) Article DOI: 10.1021/acs.jmedchem.9b00683 BindingDB Entry DOI: 10.7270/Q2K93BT1
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50509385 (CHEMBL4454883) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C31H32N2O5/c1-22(34)12-15-26(16-13-23-8-4-2-5-9-23)32-31(36)27(18-24-10-6-3-7-11-24)33-30(35)20-25-14-17-28-29(19-25)38-21-37-28/h2-12,14-15,17,19,26-27H,13,16,18,20-21H2,1H3,(H,32,36)(H,33,35)/b15-12+/t26-,27+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris assessed as inhibition constant measured for 30 mins using Cbz-Ph...				J Med Chem 62: 10617-10629 (2019) Article DOI: 10.1021/acs.jmedchem.9b00908 BindingDB Entry DOI: 10.7270/Q2Z60SCT
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50594419 (CHEMBL5198708) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc2ccccc12 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00084 BindingDB Entry DOI: 10.7270/Q2862MF6
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM210854 (US9290467, 24 | US9290467, 25 | US9290467, 26) Show SMILES Ic1cc2C[C@H](NC(=O)c3ccccc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:18| Show InChI InChI=1S/C24H22IN3O4/c25-18-13-16-7-8-21(18)32-12-4-3-11-31-20-6-2-1-5-17(20)22(29)27-19(14-16)23(30)28-24(15-26)9-10-24/h1-8,13,19H,9-12,14H2,(H,27,29)(H,28,30)/b4-3+/t19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10323 ((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...) Show SMILES O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r| Show InChI InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Enzyme activities with or without inhibitors were measured using a fluorescence assay. The formation of the cleavage product AFC was monitored for 90...				Biochemistry 46: 9462-71 (2007) Article DOI: 10.1021/bi7000505 BindingDB Entry DOI: 10.7270/Q2610XM2
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50322349 ((R)-Methyl4-(2-(3-((adamantan-1-ylcarbamoyloxy)met...) Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O)c1ccccc1 |r,c:19,TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26,25:26:29.28.33:31| Show InChI InChI=1S/C34H38N4O6/c1-43-30(40)12-7-13-35-29(39)20-38-28-11-6-5-10-26(28)31(25-8-3-2-4-9-25)36-27(32(38)41)21-44-33(42)37-34-17-22-14-23(18-34)16-24(15-22)19-34/h2-12,22-24,27H,13-21H2,1H3,(H,35,39)(H,37,42)/b12-7+/t22?,23?,24?,27-,34?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain after 10 mins				Bioorg Med Chem 18: 4928-38 (2010) Article DOI: 10.1016/j.bmc.2010.06.010 BindingDB Entry DOI: 10.7270/Q2NK3G1R
					More data for this Ligand-Target Pair

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