Compile Data Set for Download or QSAR

Found 307 hits of ki data for polymerid = 50003119   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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
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
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
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
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)	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)	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)	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
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)	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
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)	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
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)	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)	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)	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
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
University of Messina Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain				Bioorg Med Chem Lett 26: 3453-6 (2016) Article DOI: 10.1016/j.bmcl.2016.06.047 BindingDB Entry DOI: 10.7270/Q26D5VXZ
					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
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263632 (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	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	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)	BDBM50263647 (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	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	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)	BDBM50263571 (CHEMBL4062591) Show SMILES Clc1ccc(cn1)-c1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:15| Show InChI InChI=1S/C29H24Cl2N4O4/c30-22-13-18-3-7-24(22)38-11-1-2-12-39-25-15-19(20-5-8-26(31)33-16-20)4-6-21(25)27(36)34-23(14-18)28(37)35-29(17-32)9-10-29/h1-8,13,15-16,23H,9-12,14H2,(H,34,36)(H,35,37)/b2-1+/t23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	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)	BDBM50574818 (CHEMBL4861941) Show SMILES Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)\C=C(/F)S(=O)(=O)Oc2ccccc2)cc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	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 using Dixon equation by fluorometric ...				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)	BDBM50509382 (CHEMBL4464737) Show SMILES CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H33N3O4/c1-21(31)12-14-24(15-13-22-8-4-2-5-9-22)28-26(32)25(20-23-10-6-3-7-11-23)29-27(33)30-16-18-34-19-17-30/h2-12,14,24-25H,13,15-20H2,1H3,(H,28,32)(H,29,33)/b14-12+/t24-,25+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10	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)	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)	BDBM50263689 (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	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	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)	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)	BDBM50263573 (CHEMBL4080708) Show SMILES Fc1cc(F)c2OCC#CCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r| Show InChI InChI=1S/C24H18ClF2N3O4/c25-17-9-14-3-4-20(17)33-7-1-2-8-34-21-16(11-15(26)12-18(21)27)22(31)29-19(10-14)23(32)30-24(13-28)5-6-24/h3-4,9,11-12,19H,5-8,10H2,(H,29,31)(H,30,32)/t19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	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)	BDBM50263573 (CHEMBL4080708) Show SMILES Fc1cc(F)c2OCC#CCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r| Show InChI InChI=1S/C24H18ClF2N3O4/c25-17-9-14-3-4-20(17)33-7-1-2-8-34-21-16(11-15(26)12-18(21)27)22(31)29-19(10-14)23(32)30-24(13-28)5-6-24/h3-4,9,11-12,19H,5-8,10H2,(H,29,31)(H,30,32)/t19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	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

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