Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50031772   

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)	BDBM50318712 ((2S,15S,18S,21S,24S)-15-(2-amino-2-oxoethyl)-2-ben...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C39H57N9O11/c1-21(2)32(35(41)54)46-37(56)33(22(3)4)47-38(57)34(24-13-9-6-10-14-24)48-36(55)25(18-27(40)49)44-29(51)16-15-28(50)42-19-30(52)43-20-31(53)45-26(39(58)59)17-23-11-7-5-8-12-23/h5,7-8,11-12,15-16,21-22,24-26,32-34H,6,9-10,13-14,17-20H2,1-4H3,(H2,40,49)(H2,41,54)(H,42,50)(H,43,52)(H,44,51)(H,45,53)(H,46,56)(H,47,57)(H,48,55)(H,58,59)/b16-15+/t25-,26-,32-,33-,34-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50318713 ((2S,15S,18S,21S,24S)-15-(3-amino-3-oxopropyl)-2-be...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C40H59N9O11/c1-22(2)33(36(42)55)47-38(57)34(23(3)4)48-39(58)35(25-13-9-6-10-14-25)49-37(56)26(15-16-28(41)50)45-30(52)18-17-29(51)43-20-31(53)44-21-32(54)46-27(40(59)60)19-24-11-7-5-8-12-24/h5,7-8,11-12,17-18,22-23,25-27,33-35H,6,9-10,13-16,19-21H2,1-4H3,(H2,41,50)(H2,42,55)(H,43,51)(H,44,53)(H,45,52)(H,46,54)(H,47,57)(H,48,58)(H,49,56)(H,59,60)/b18-17+/t26-,27-,33-,34-,35-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50318710 ((2S,15S,18S,21S,24S)-2,15-dibenzyl-24-carbamoyl-18...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C43H60N8O10/c1-25(2)19-30(40(57)50-31(20-26(3)4)42(59)51-38(27(5)6)39(44)56)49-41(58)32(21-28-13-9-7-10-14-28)47-35(53)18-17-34(52)45-23-36(54)46-24-37(55)48-33(43(60)61)22-29-15-11-8-12-16-29/h7-18,25-27,30-33,38H,19-24H2,1-6H3,(H2,44,56)(H,45,52)(H,46,54)(H,47,53)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,60,61)/b18-17+/t30-,31-,32-,33-,38-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50318714 ((2S,15S,18S,21S,24S)-15-(acetamidomethyl)-2-benzyl...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(C)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1)C(N)=O |r| Show InChI InChI=1S/C38H55N9O11/c1-21(2)32(34(39)53)46-35(54)22(3)43-37(56)33(25-13-9-6-10-14-25)47-36(55)27(18-40-23(4)48)45-29(50)16-15-28(49)41-19-30(51)42-20-31(52)44-26(38(57)58)17-24-11-7-5-8-12-24/h5,7-8,11-12,15-16,21-22,25-27,32-33H,6,9-10,13-14,17-20H2,1-4H3,(H2,39,53)(H,40,48)(H,41,49)(H,42,51)(H,43,56)(H,44,52)(H,45,50)(H,46,54)(H,47,55)(H,57,58)/b16-15+/t22-,26-,27-,32-,33-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50318711 ((2S,15S,18S,21S,24S)-15-(2-amino-2-oxoethyl)-2-ben...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1)C(N)=O |r| Show InChI InChI=1S/C37H53N9O11/c1-20(2)31(33(39)52)45-34(53)21(3)42-36(55)32(23-12-8-5-9-13-23)46-35(54)24(17-26(38)47)43-28(49)15-14-27(48)40-18-29(50)41-19-30(51)44-25(37(56)57)16-22-10-6-4-7-11-22/h4,6-7,10-11,14-15,20-21,23-25,31-32H,5,8-9,12-13,16-19H2,1-3H3,(H2,38,47)(H2,39,52)(H,40,48)(H,41,50)(H,42,55)(H,43,49)(H,44,51)(H,45,53)(H,46,54)(H,56,57)/b15-14+/t21-,24-,25-,31-,32-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50318715 ((2S,15S,18S,21S,24S)-2-benzyl-24-carbamoyl-18,21-d...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C37H56N8O10/c1-20(2)15-25(35(52)44-26(16-21(3)4)36(53)45-32(22(5)6)33(38)50)43-34(51)23(7)41-29(47)14-13-28(46)39-18-30(48)40-19-31(49)42-27(37(54)55)17-24-11-9-8-10-12-24/h8-14,20-23,25-27,32H,15-19H2,1-7H3,(H2,38,50)(H,39,46)(H,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,52)(H,45,53)(H,54,55)/b14-13+/t23-,25-,26-,27-,32-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50318716 ((2S,8S,15S,18S,21S,24S)-2-benzyl-24-carbamoyl-18,2...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)\C=C\C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C38H58N8O10/c1-20(2)16-26(36(53)45-27(17-21(3)4)37(54)46-32(22(5)6)33(39)50)44-35(52)24(8)42-30(48)15-14-29(47)41-23(7)34(51)40-19-31(49)43-28(38(55)56)18-25-12-10-9-11-13-25/h9-15,20-24,26-28,32H,16-19H2,1-8H3,(H2,39,50)(H,40,51)(H,41,47)(H,42,48)(H,43,49)(H,44,52)(H,45,53)(H,46,54)(H,55,56)/b15-14+/t23-,24-,26-,27-,28-,32-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50318712 ((2S,15S,18S,21S,24S)-15-(2-amino-2-oxoethyl)-2-ben...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C39H57N9O11/c1-21(2)32(35(41)54)46-37(56)33(22(3)4)47-38(57)34(24-13-9-6-10-14-24)48-36(55)25(18-27(40)49)44-29(51)16-15-28(50)42-19-30(52)43-20-31(53)45-26(39(58)59)17-23-11-7-5-8-12-23/h5,7-8,11-12,15-16,21-22,24-26,32-34H,6,9-10,13-14,17-20H2,1-4H3,(H2,40,49)(H2,41,54)(H,42,50)(H,43,52)(H,44,51)(H,45,53)(H,46,56)(H,47,57)(H,48,55)(H,58,59)/b16-15+/t25-,26-,32-,33-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50318717 ((2S,15S,18S,21S,24S)-15-(acetamidomethyl)-2-benzyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(C)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C39H59N9O11/c1-21(2)15-26(36(55)46-27(16-22(3)4)37(56)48-34(23(5)6)35(40)54)47-38(57)29(18-41-24(7)49)45-31(51)14-13-30(50)42-19-32(52)43-20-33(53)44-28(39(58)59)17-25-11-9-8-10-12-25/h8-14,21-23,26-29,34H,15-20H2,1-7H3,(H2,40,54)(H,41,49)(H,42,50)(H,43,52)(H,44,53)(H,45,51)(H,46,55)(H,47,57)(H,48,56)(H,58,59)/b14-13+/t26-,27-,28-,29-,34-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50318709 ((2S,15S,18S,21S,24S)-15-(2-amino-2-oxoethyl)-2-ben...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C38H57N9O11/c1-20(2)14-24(35(54)46-25(15-21(3)4)37(56)47-33(22(5)6)34(40)53)45-36(55)26(17-28(39)48)43-30(50)13-12-29(49)41-18-31(51)42-19-32(52)44-27(38(57)58)16-23-10-8-7-9-11-23/h7-13,20-22,24-27,33H,14-19H2,1-6H3,(H2,39,48)(H2,40,53)(H,41,49)(H,42,51)(H,43,50)(H,44,52)(H,45,55)(H,46,54)(H,47,56)(H,57,58)/b13-12+/t24-,25-,26-,27-,33-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50318714 ((2S,15S,18S,21S,24S)-15-(acetamidomethyl)-2-benzyl...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CNC(C)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1)C(N)=O |r| Show InChI InChI=1S/C38H55N9O11/c1-21(2)32(34(39)53)46-35(54)22(3)43-37(56)33(25-13-9-6-10-14-25)47-36(55)27(18-40-23(4)48)45-29(50)16-15-28(49)41-19-30(51)42-20-31(52)44-26(38(57)58)17-24-11-7-5-8-12-24/h5,7-8,11-12,15-16,21-22,25-27,32-33H,6,9-10,13-14,17-20H2,1-4H3,(H2,39,53)(H,40,48)(H,41,49)(H,42,51)(H,43,56)(H,44,52)(H,45,50)(H,46,54)(H,47,55)(H,57,58)/b16-15+/t22-,26-,27-,32-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Procathepsin L (Bos taurus (bovine))	BDBM50318718 ((2S,15S,18S,21S,24S)-15-(acetamidomethyl)-2-benzyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(C)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C36H53N9O11/c1-19(2)14-24(34(53)41-21(5)33(52)45-31(20(3)4)32(37)51)44-35(54)26(16-38-22(6)46)43-28(48)13-12-27(47)39-17-29(49)40-18-30(50)42-25(36(55)56)15-23-10-8-7-9-11-23/h7-13,19-21,24-26,31H,14-18H2,1-6H3,(H2,37,51)(H,38,46)(H,39,47)(H,40,49)(H,41,53)(H,42,50)(H,43,48)(H,44,54)(H,45,52)(H,55,56)/b13-12+/t21-,24-,25-,26-,31-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of bovine spleen cathepsin L				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50318711 ((2S,15S,18S,21S,24S)-15-(2-amino-2-oxoethyl)-2-ben...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1)C(N)=O |r| Show InChI InChI=1S/C37H53N9O11/c1-20(2)31(33(39)52)45-34(53)21(3)42-36(55)32(23-12-8-5-9-13-23)46-35(54)24(17-26(38)47)43-28(49)15-14-27(48)40-18-29(50)41-19-30(51)44-25(37(56)57)16-22-10-6-4-7-11-22/h4,6-7,10-11,14-15,20-21,23-25,31-32H,5,8-9,12-13,16-19H2,1-3H3,(H2,38,47)(H2,39,52)(H,40,48)(H,41,50)(H,42,55)(H,43,49)(H,44,51)(H,45,53)(H,46,54)(H,56,57)/b15-14+/t21-,24-,25-,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50318710 ((2S,15S,18S,21S,24S)-2,15-dibenzyl-24-carbamoyl-18...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C43H60N8O10/c1-25(2)19-30(40(57)50-31(20-26(3)4)42(59)51-38(27(5)6)39(44)56)49-41(58)32(21-28-13-9-7-10-14-28)47-35(53)18-17-34(52)45-23-36(54)46-24-37(55)48-33(43(60)61)22-29-15-11-8-12-16-29/h7-18,25-27,30-33,38H,19-24H2,1-6H3,(H2,44,56)(H,45,52)(H,46,54)(H,47,53)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,60,61)/b18-17+/t30-,31-,32-,33-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Procathepsin L (Bos taurus (bovine))	BDBM50318715 ((2S,15S,18S,21S,24S)-2-benzyl-24-carbamoyl-18,21-d...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C37H56N8O10/c1-20(2)15-25(35(52)44-26(16-21(3)4)36(53)45-32(22(5)6)33(38)50)43-34(51)23(7)41-29(47)14-13-28(46)39-18-30(48)40-19-31(49)42-27(37(54)55)17-24-11-9-8-10-12-24/h8-14,20-23,25-27,32H,15-19H2,1-7H3,(H2,38,50)(H,39,46)(H,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,52)(H,45,53)(H,54,55)/b14-13+/t23-,25-,26-,27-,32-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of bovine spleen cathepsin L				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Procathepsin L (Bos taurus (bovine))	BDBM50318716 ((2S,8S,15S,18S,21S,24S)-2-benzyl-24-carbamoyl-18,2...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)\C=C\C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C38H58N8O10/c1-20(2)16-26(36(53)45-27(17-21(3)4)37(54)46-32(22(5)6)33(39)50)44-35(52)24(8)42-30(48)15-14-29(47)41-23(7)34(51)40-19-31(49)43-28(38(55)56)18-25-12-10-9-11-13-25/h9-15,20-24,26-28,32H,16-19H2,1-8H3,(H2,39,50)(H,40,51)(H,41,47)(H,42,48)(H,43,49)(H,44,52)(H,45,53)(H,46,54)(H,55,56)/b15-14+/t23-,24-,26-,27-,28-,32-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of bovine spleen cathepsin L				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Procathepsin L (Bos taurus (bovine))	BDBM50318710 ((2S,15S,18S,21S,24S)-2,15-dibenzyl-24-carbamoyl-18...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C43H60N8O10/c1-25(2)19-30(40(57)50-31(20-26(3)4)42(59)51-38(27(5)6)39(44)56)49-41(58)32(21-28-13-9-7-10-14-28)47-35(53)18-17-34(52)45-23-36(54)46-24-37(55)48-33(43(60)61)22-29-15-11-8-12-16-29/h7-18,25-27,30-33,38H,19-24H2,1-6H3,(H2,44,56)(H,45,52)(H,46,54)(H,47,53)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,60,61)/b18-17+/t30-,31-,32-,33-,38-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of bovine spleen cathepsin L				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Procathepsin L (Bos taurus (bovine))	BDBM50318712 ((2S,15S,18S,21S,24S)-15-(2-amino-2-oxoethyl)-2-ben...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C1CCCCC1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C39H57N9O11/c1-21(2)32(35(41)54)46-37(56)33(22(3)4)47-38(57)34(24-13-9-6-10-14-24)48-36(55)25(18-27(40)49)44-29(51)16-15-28(50)42-19-30(52)43-20-31(53)45-26(39(58)59)17-23-11-7-5-8-12-23/h5,7-8,11-12,15-16,21-22,24-26,32-34H,6,9-10,13-14,17-20H2,1-4H3,(H2,40,49)(H2,41,54)(H,42,50)(H,43,52)(H,44,51)(H,45,53)(H,46,56)(H,47,57)(H,48,55)(H,58,59)/b16-15+/t25-,26-,32-,33-,34-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of bovine spleen cathepsin L				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair
Procathepsin L (Bos taurus (bovine))	BDBM50318717 ((2S,15S,18S,21S,24S)-15-(acetamidomethyl)-2-benzyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(C)=O)NC(=O)\C=C\C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C39H59N9O11/c1-21(2)15-26(36(55)46-27(16-22(3)4)37(56)48-34(23(5)6)35(40)54)47-38(57)29(18-41-24(7)49)45-31(51)14-13-30(50)42-19-32(52)43-20-33(53)44-28(39(58)59)17-25-11-9-8-10-12-25/h8-14,21-23,26-29,34H,15-20H2,1-7H3,(H2,40,54)(H,41,49)(H,42,50)(H,43,52)(H,44,53)(H,45,51)(H,46,55)(H,47,57)(H,48,56)(H,58,59)/b14-13+/t26-,27-,28-,29-,34-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Duisburg-Essen Curated by ChEMBL					Assay Description Inhibition of bovine spleen cathepsin L				J Med Chem 52: 5662-72 (2009) Article DOI: 10.1021/jm900629w BindingDB Entry DOI: 10.7270/Q298876S
					More data for this Ligand-Target Pair