Compile Data Set for Download or QSAR

Found 308 hits with Last Name = 'fortier' and Initial = 'a'   

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
Cruzipain (Trypanosoma cruzi)	BDBM50331776 ((S)-4,4-dichloro-N-((S)-1-cyano-2-phenylethyl)-2-(...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(Cl)Cl)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C28H26Cl2F3N3O3S/c1-40(38,39)23-13-11-20(12-14-23)19-7-9-21(10-8-19)26(28(31,32)33)36-24(16-25(29)30)27(37)35-22(17-34)15-18-5-3-2-4-6-18/h2-14,22,24-26,36H,15-16H2,1H3,(H,35,37)/t22-,24-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50214542 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N Show InChI InChI=1S/C30H32F3N3O3S/c1-20(2)17-27(29(37)35-25(19-34)18-21-7-5-4-6-8-21)36-28(30(31,32)33)24-11-9-22(10-12-24)23-13-15-26(16-14-23)40(3,38)39/h4-16,20,25,27-28,36H,17-18H2,1-3H3,(H,35,37)/t25-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331769 ((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C30H28F4N4O3S/c1-18(2)27(29(39)37-24(17-36)15-23-5-4-19(16-35)14-26(23)31)38-28(30(32,33)34)22-8-6-20(7-9-22)21-10-12-25(13-11-21)42(3,40)41/h4-14,18,24,27-28,38H,15H2,1-3H3,(H,37,39)/t24-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331767 (1-(4'-((S)-1-((S)-1-((S)-1-cyano-2-(4-cyano-2-fluo...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C33H31F4N5O2/c1-19(2)28(30(43)41-26(18-39)16-24-4-3-20(17-38)15-27(24)34)42-29(33(35,36)37)23-7-5-21(6-8-23)22-9-11-25(12-10-22)32(13-14-32)31(40)44/h3-12,15,19,26,28-29,42H,13-14,16H2,1-2H3,(H2,40,44)(H,41,43)/t26-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin F (Homo sapiens (Human))	BDBM50214542 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N Show InChI InChI=1S/C30H32F3N3O3S/c1-20(2)17-27(29(37)35-25(19-34)18-21-7-5-4-6-8-21)36-28(30(31,32)33)24-11-9-22(10-12-24)23-13-15-26(16-14-23)40(3,38)39/h4-16,20,25,27-28,36H,17-18H2,1-3H3,(H,35,37)/t25-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat F expressed in rabbit HIG82 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331768 ((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C31H28F6N4O2/c1-17(2)26(30(43)40-24(16-39)14-23-4-3-18(15-38)13-25(23)32)41-28(31(35,36)37)22-11-7-20(8-12-22)19-5-9-21(10-6-19)27(42)29(33)34/h3-13,17,24,26-29,41-42H,14H2,1-2H3,(H,40,43)/t24-,26-,27+,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50331769 ((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C30H28F4N4O3S/c1-18(2)27(29(39)37-24(17-36)15-23-5-4-19(16-35)14-26(23)31)38-28(30(32,33)34)22-8-6-20(7-9-22)21-10-12-25(13-11-21)42(3,40)41/h4-14,18,24,27-28,38H,15H2,1-3H3,(H,37,39)/t24-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat K expressed in Ramos cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331787 ((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C31H29F5N4O3S/c1-30(2,33)16-27(29(41)39-24(18-38)15-23-5-4-19(17-37)14-26(23)32)40-28(31(34,35)36)22-8-6-20(7-9-22)21-10-12-25(13-11-21)44(3,42)43/h4-14,24,27-28,40H,15-16H2,1-3H3,(H,39,41)/t24-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM19518 ((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C26H32F3N5O/c1-18(2)17-23(25(35)32-12-11-30)33-24(26(27,28)29)21-5-3-19(4-6-21)20-7-9-22(10-8-20)34-15-13-31-14-16-34/h3-10,18,23-24,31,33H,12-17H2,1-2H3,(H,32,35)/t23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50331768 ((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C31H28F6N4O2/c1-17(2)26(30(43)40-24(16-39)14-23-4-3-18(15-38)13-25(23)32)41-28(31(35,36)37)22-11-7-20(8-12-22)19-5-9-21(10-6-19)27(42)29(33)34/h3-13,17,24,26-29,41-42H,14H2,1-2H3,(H,40,43)/t24-,26-,27+,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat K expressed in Ramos cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331778 ((S)-N-((S)-1-cyano-2-phenylethyl)-3-methyl-2-((S)-...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C29H30F3N3O3S/c1-19(2)26(28(36)34-24(18-33)17-20-7-5-4-6-8-20)35-27(29(30,31)32)23-11-9-21(10-12-23)22-13-15-25(16-14-22)39(3,37)38/h4-16,19,24,26-27,35H,17H2,1-3H3,(H,34,36)/t24-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50331767 (1-(4'-((S)-1-((S)-1-((S)-1-cyano-2-(4-cyano-2-fluo...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C33H31F4N5O2/c1-19(2)28(30(43)41-26(18-39)16-24-4-3-20(17-38)15-27(24)34)42-29(33(35,36)37)23-7-5-21(6-8-23)22-9-11-25(12-10-22)32(13-14-32)31(40)44/h3-12,15,19,26,28-29,42H,13-14,16H2,1-2H3,(H2,40,44)(H,41,43)/t26-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat K expressed in Ramos cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331771 ((S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methy...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)N1CCOCC1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C37H40F4N4O3/c1-35(2,38)23-31(33(46)43-30(24-42)22-25-6-4-3-5-7-25)44-32(37(39,40)41)28-10-8-26(9-11-28)27-12-14-29(15-13-27)36(16-17-36)34(47)45-18-20-48-21-19-45/h3-15,30-32,44H,16-23H2,1-2H3,(H,43,46)/t30-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331770 (1-(4'-((S)-1-((S)-1-((S)-1-cyano-2-phenylethylamin...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C33H34F4N4O2/c1-31(2,34)19-27(29(42)40-26(20-38)18-21-6-4-3-5-7-21)41-28(33(35,36)37)24-10-8-22(9-11-24)23-12-14-25(15-13-23)32(16-17-32)30(39)43/h3-15,26-28,41H,16-19H2,1-2H3,(H2,39,43)(H,40,42)/t26-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin F (Homo sapiens (Human))	BDBM50331787 ((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C31H29F5N4O3S/c1-30(2,33)16-27(29(41)39-24(18-38)15-23-5-4-19(17-37)14-26(23)32)40-28(31(34,35)36)22-8-6-20(7-9-22)21-10-12-25(13-11-21)44(3,42)43/h4-14,24,27-28,40H,15-16H2,1-3H3,(H,39,41)/t24-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat F expressed in rabbit HIG82 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin F (Homo sapiens (Human))	BDBM50331776 ((S)-4,4-dichloro-N-((S)-1-cyano-2-phenylethyl)-2-(...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(Cl)Cl)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C28H26Cl2F3N3O3S/c1-40(38,39)23-13-11-20(12-14-23)19-7-9-21(10-8-19)26(28(31,32)33)36-24(16-25(29)30)27(37)35-22(17-34)15-18-5-3-2-4-6-18/h2-14,22,24-26,36H,15-16H2,1H3,(H,35,37)/t22-,24-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat F expressed in rabbit HIG82 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331786 ((S)-N-((S)-1-cyano-2-(pyridin-4-yl)ethyl)-4-fluoro...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccncc1)C#N |r| Show InChI InChI=1S/C29H30F4N4O3S/c1-28(2,30)17-25(27(38)36-23(18-34)16-19-12-14-35-15-13-19)37-26(29(31,32)33)22-6-4-20(5-7-22)21-8-10-24(11-9-21)41(3,39)40/h4-15,23,25-26,37H,16-17H2,1-3H3,(H,36,38)/t23-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331777 ((S)-N-((S)-1-cyano-2-phenylethyl)-3-phenyl-2-((S)-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C33H30F3N3O3S/c1-43(41,42)29-18-16-26(17-19-29)25-12-14-27(15-13-25)31(33(34,35)36)39-30(21-24-10-6-3-7-11-24)32(40)38-28(22-37)20-23-8-4-2-5-9-23/h2-19,28,30-31,39H,20-21H2,1H3,(H,38,40)/t28-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331779 ((S)-N-((S)-1-cyano-2-phenylethyl)-2-cyclopropyl-2-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](C1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C29H28F3N3O3S/c1-39(37,38)25-15-13-21(14-16-25)20-7-11-23(12-8-20)27(29(30,31)32)35-26(22-9-10-22)28(36)34-24(18-33)17-19-5-3-2-4-6-19/h2-8,11-16,22,24,26-27,35H,9-10,17H2,1H3,(H,34,36)/t24-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331781 ((S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methy...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C30H31F4N3O3S/c1-29(2,31)18-26(28(38)36-24(19-35)17-20-7-5-4-6-8-20)37-27(30(32,33)34)23-11-9-21(10-12-23)22-13-15-25(16-14-22)41(3,39)40/h4-16,24,26-27,37H,17-18H2,1-3H3,(H,36,38)/t24-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331773 ((S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methy...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C34H32F4N4O/c1-33(2,35)21-30(32(43)41-29(22-39)20-23-6-4-3-5-7-23)42-31(34(36,37)38)28-14-12-25(13-15-28)24-8-10-26(11-9-24)27-16-18-40-19-17-27/h3-19,29-31,42H,20-21H2,1-2H3,(H,41,43)/t29-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331772 ((S)-N-((S)-1-cyano-2-phenylethyl)-2-((S)-1-(4'-((R...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C31H31F6N3O2/c1-30(2,34)17-25(29(42)39-24(18-38)16-19-6-4-3-5-7-19)40-27(31(35,36)37)23-14-10-21(11-15-23)20-8-12-22(13-9-20)26(41)28(32)33/h3-15,24-28,40-41H,16-17H2,1-2H3,(H,39,42)/t24-,25-,26+,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50331787 ((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C31H29F5N4O3S/c1-30(2,33)16-27(29(41)39-24(18-38)15-23-5-4-19(17-37)14-26(23)32)40-28(31(34,35)36)22-8-6-20(7-9-22)21-10-12-25(13-11-21)44(3,42)43/h4-14,24,27-28,40H,15-16H2,1-3H3,(H,39,41)/t24-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat B in HepG2 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin F (Homo sapiens (Human))	BDBM50331786 ((S)-N-((S)-1-cyano-2-(pyridin-4-yl)ethyl)-4-fluoro...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccncc1)C#N |r| Show InChI InChI=1S/C29H30F4N4O3S/c1-28(2,30)17-25(27(38)36-23(18-34)16-19-12-14-35-15-13-19)37-26(29(31,32)33)22-6-4-20(5-7-22)21-8-10-24(11-9-21)41(3,39)40/h4-15,23,25-26,37H,16-17H2,1-3H3,(H,36,38)/t23-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat F expressed in rabbit HIG82 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin F (Homo sapiens (Human))	BDBM50331767 (1-(4'-((S)-1-((S)-1-((S)-1-cyano-2-(4-cyano-2-fluo...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C33H31F4N5O2/c1-19(2)28(30(43)41-26(18-39)16-24-4-3-20(17-38)15-27(24)34)42-29(33(35,36)37)23-7-5-21(6-8-23)22-9-11-25(12-10-22)32(13-14-32)31(40)44/h3-12,15,19,26,28-29,42H,13-14,16H2,1-2H3,(H2,40,44)(H,41,43)/t26-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat F expressed in rabbit HIG82 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331775 ((S)-N-((S)-1-cyano-2-phenylethyl)-3-cyclopropyl-2-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C30H30F3N3O3S/c1-40(38,39)26-15-13-23(14-16-26)22-9-11-24(12-10-22)28(30(31,32)33)36-27(18-21-7-8-21)29(37)35-25(19-34)17-20-5-3-2-4-6-20/h2-6,9-16,21,25,27-28,36H,7-8,17-18H2,1H3,(H,35,37)/t25-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331788 ((S)-N-((R)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C31H29F5N4O3S/c1-30(2,33)16-27(29(41)39-24(18-38)15-23-5-4-19(17-37)14-26(23)32)40-28(31(34,35)36)22-8-6-20(7-9-22)21-10-12-25(13-11-21)44(3,42)43/h4-14,24,27-28,40H,15-16H2,1-3H3,(H,39,41)/t24-,27+,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin F (Homo sapiens (Human))	BDBM50331771 ((S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methy...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)N1CCOCC1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C37H40F4N4O3/c1-35(2,38)23-31(33(46)43-30(24-42)22-25-6-4-3-5-7-25)44-32(37(39,40)41)28-10-8-26(9-11-28)27-12-14-29(15-13-27)36(16-17-36)34(47)45-18-20-48-21-19-45/h3-15,30-32,44H,16-23H2,1-2H3,(H,43,46)/t30-,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat F expressed in rabbit HIG82 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin F (Homo sapiens (Human))	BDBM50331769 ((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C30H28F4N4O3S/c1-18(2)27(29(39)37-24(17-36)15-23-5-4-19(16-35)14-26(23)31)38-28(30(32,33)34)22-8-6-20(7-9-22)21-10-12-25(13-11-21)42(3,40)41/h4-14,18,24,27-28,38H,15H2,1-3H3,(H,37,39)/t24-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat F expressed in rabbit HIG82 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin F (Homo sapiens (Human))	BDBM50331774 ((S)-2-((S)-1-(4-(1H-pyrazol-4-yl)phenyl)-2,2,2-tri...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1cn[nH]c1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C26H27F4N5O/c1-25(2,27)13-22(24(36)34-21(14-31)12-17-6-4-3-5-7-17)35-23(26(28,29)30)19-10-8-18(9-11-19)20-15-32-33-16-20/h3-11,15-16,21-23,35H,12-13H2,1-2H3,(H,32,33)(H,34,36)/t21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat F expressed in rabbit HIG82 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50331770 (1-(4'-((S)-1-((S)-1-((S)-1-cyano-2-phenylethylamin...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C33H34F4N4O2/c1-31(2,34)19-27(29(42)40-26(20-38)18-21-6-4-3-5-7-21)41-28(33(35,36)37)24-10-8-22(9-11-24)23-12-14-25(15-13-23)32(16-17-32)30(39)43/h3-15,26-28,41H,16-19H2,1-2H3,(H2,39,43)(H,40,42)/t26-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat B in HepG2 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50331769 ((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C30H28F4N4O3S/c1-18(2)27(29(39)37-24(17-36)15-23-5-4-19(16-35)14-26(23)31)38-28(30(32,33)34)22-8-6-20(7-9-22)21-10-12-25(13-11-21)42(3,40)41/h4-14,18,24,27-28,38H,15H2,1-3H3,(H,37,39)/t24-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat V				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50331774 ((S)-2-((S)-1-(4-(1H-pyrazol-4-yl)phenyl)-2,2,2-tri...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1cn[nH]c1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C26H27F4N5O/c1-25(2,27)13-22(24(36)34-21(14-31)12-17-6-4-3-5-7-17)35-23(26(28,29)30)19-10-8-18(9-11-19)20-15-32-33-16-20/h3-11,15-16,21-23,35H,12-13H2,1-2H3,(H,32,33)(H,34,36)/t21-,22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of trypanosoma cruzi Cruzipain				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin F (Homo sapiens (Human))	BDBM50331770 (1-(4'-((S)-1-((S)-1-((S)-1-cyano-2-phenylethylamin...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C33H34F4N4O2/c1-31(2,34)19-27(29(42)40-26(20-38)18-21-6-4-3-5-7-21)41-28(33(35,36)37)24-10-8-22(9-11-24)23-12-14-25(15-13-23)32(16-17-32)30(39)43/h3-15,26-28,41H,16-19H2,1-2H3,(H2,39,43)(H,40,42)/t26-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat F expressed in rabbit HIG82 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50331767 (1-(4'-((S)-1-((S)-1-((S)-1-cyano-2-(4-cyano-2-fluo...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C33H31F4N5O2/c1-19(2)28(30(43)41-26(18-39)16-24-4-3-20(17-38)15-27(24)34)42-29(33(35,36)37)23-7-5-21(6-8-23)22-9-11-25(12-10-22)32(13-14-32)31(40)44/h3-12,15,19,26,28-29,42H,13-14,16H2,1-2H3,(H2,40,44)(H,41,43)/t26-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat B in HepG2 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50331776 ((S)-4,4-dichloro-N-((S)-1-cyano-2-phenylethyl)-2-(...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(Cl)Cl)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C28H26Cl2F3N3O3S/c1-40(38,39)23-13-11-20(12-14-23)19-7-9-21(10-8-19)26(28(31,32)33)36-24(16-25(29)30)27(37)35-22(17-34)15-18-5-3-2-4-6-18/h2-14,22,24-26,36H,15-16H2,1H3,(H,35,37)/t22-,24-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat L				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50331772 ((S)-N-((S)-1-cyano-2-phenylethyl)-2-((S)-1-(4'-((R...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C31H31F6N3O2/c1-30(2,34)17-25(29(42)39-24(18-38)16-19-6-4-3-5-7-19)40-27(31(35,36)37)23-14-10-21(11-15-23)20-8-12-22(13-9-20)26(41)28(32)33/h3-15,24-28,40-41H,16-17H2,1-2H3,(H,39,42)/t24-,25-,26+,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat B in HepG2 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50331787 ((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C31H29F5N4O3S/c1-30(2,33)16-27(29(41)39-24(18-38)15-23-5-4-19(17-37)14-26(23)32)40-28(31(34,35)36)22-8-6-20(7-9-22)21-10-12-25(13-11-21)44(3,42)43/h4-14,24,27-28,40H,15-16H2,1-3H3,(H,39,41)/t24-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat L				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin F (Homo sapiens (Human))	BDBM50331773 ((S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methy...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C34H32F4N4O/c1-33(2,35)21-30(32(43)41-29(22-39)20-23-6-4-3-5-7-23)42-31(34(36,37)38)28-14-12-25(13-15-28)24-8-10-26(11-9-24)27-16-18-40-19-17-27/h3-19,29-31,42H,20-21H2,1-2H3,(H,41,43)/t29-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat F expressed in rabbit HIG82 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50331773 ((S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methy...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C34H32F4N4O/c1-33(2,35)21-30(32(43)41-29(22-39)20-23-6-4-3-5-7-23)42-31(34(36,37)38)28-14-12-25(13-15-28)24-8-10-26(11-9-24)27-16-18-40-19-17-27/h3-19,29-31,42H,20-21H2,1-2H3,(H,41,43)/t29-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat B in HepG2 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin F (Homo sapiens (Human))	BDBM50331768 ((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C31H28F6N4O2/c1-17(2)26(30(43)40-24(16-39)14-23-4-3-18(15-38)13-25(23)32)41-28(31(35,36)37)22-11-7-20(8-12-22)19-5-9-21(10-6-19)27(42)29(33)34/h3-13,17,24,26-29,41-42H,14H2,1-2H3,(H,40,43)/t24-,26-,27+,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat F expressed in rabbit HIG82 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50331774 ((S)-2-((S)-1-(4-(1H-pyrazol-4-yl)phenyl)-2,2,2-tri...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1cn[nH]c1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C26H27F4N5O/c1-25(2,27)13-22(24(36)34-21(14-31)12-17-6-4-3-5-7-17)35-23(26(28,29)30)19-10-8-18(9-11-19)20-15-32-33-16-20/h3-11,15-16,21-23,35H,12-13H2,1-2H3,(H,32,33)(H,34,36)/t21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat B in HepG2 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50331771 ((S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methy...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)N1CCOCC1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C37H40F4N4O3/c1-35(2,38)23-31(33(46)43-30(24-42)22-25-6-4-3-5-7-25)44-32(37(39,40)41)28-10-8-26(9-11-28)27-12-14-29(15-13-27)36(16-17-36)34(47)45-18-20-48-21-19-45/h3-15,30-32,44H,16-23H2,1-2H3,(H,43,46)/t30-,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat B in HepG2 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin F (Homo sapiens (Human))	BDBM50331772 ((S)-N-((S)-1-cyano-2-phenylethyl)-2-((S)-1-(4'-((R...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C31H31F6N3O2/c1-30(2,34)17-25(29(42)39-24(18-38)16-19-6-4-3-5-7-19)40-27(31(35,36)37)23-14-10-21(11-15-23)20-8-12-22(13-9-20)26(41)28(32)33/h3-15,24-28,40-41H,16-17H2,1-2H3,(H,39,42)/t24-,25-,26+,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat F expressed in rabbit HIG82 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin F (Homo sapiens (Human))	BDBM50331781 ((S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methy...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| Show InChI InChI=1S/C30H31F4N3O3S/c1-29(2,31)18-26(28(38)36-24(19-35)17-20-7-5-4-6-8-20)37-27(30(32,33)34)23-11-9-21(10-12-23)22-13-15-25(16-14-22)41(3,39)40/h4-16,24,26-27,37H,17-18H2,1-3H3,(H,36,38)/t24-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat F expressed in rabbit HIG82 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50331779 ((S)-N-((S)-1-cyano-2-phenylethyl)-2-cyclopropyl-2-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](C1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C29H28F3N3O3S/c1-39(37,38)25-15-13-21(14-16-25)20-7-11-23(12-8-20)27(29(30,31)32)35-26(22-9-10-22)28(36)34-24(18-33)17-19-5-3-2-4-6-19/h2-8,11-16,22,24,26-27,35H,9-10,17H2,1H3,(H,34,36)/t24-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat B in HepG2 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50331768 ((S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C31H28F6N4O2/c1-17(2)26(30(43)40-24(16-39)14-23-4-3-18(15-38)13-25(23)32)41-28(31(35,36)37)22-11-7-20(8-12-22)19-5-9-21(10-6-19)27(42)29(33)34/h3-13,17,24,26-29,41-42H,14H2,1-2H3,(H,40,43)/t24-,26-,27+,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat V				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin F (Homo sapiens (Human))	BDBM50331788 ((S)-N-((R)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C31H29F5N4O3S/c1-30(2,33)16-27(29(41)39-24(18-38)15-23-5-4-19(17-37)14-26(23)32)40-28(31(34,35)36)22-8-6-20(7-9-22)21-10-12-25(13-11-21)44(3,42)43/h4-14,24,27-28,40H,15-16H2,1-3H3,(H,39,41)/t24-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat F expressed in rabbit HIG82 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50331786 ((S)-N-((S)-1-cyano-2-(pyridin-4-yl)ethyl)-4-fluoro...) Show SMILES CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccncc1)C#N |r| Show InChI InChI=1S/C29H30F4N4O3S/c1-28(2,30)17-25(27(38)36-23(18-34)16-19-12-14-35-15-13-19)37-26(29(31,32)33)22-6-4-20(5-7-22)21-8-10-24(11-9-21)41(3,39)40/h4-15,23,25-26,37H,16-17H2,1-3H3,(H,36,38)/t23-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat B in HepG2 cells				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50331767 (1-(4'-((S)-1-((S)-1-((S)-1-cyano-2-(4-cyano-2-fluo...) Show SMILES CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r| Show InChI InChI=1S/C33H31F4N5O2/c1-19(2)28(30(43)41-26(18-39)16-24-4-3-20(17-38)15-27(24)34)42-29(33(35,36)37)23-7-5-21(6-8-23)22-9-11-25(12-10-22)32(13-14-32)31(40)44/h3-12,15,19,26,28-29,42H,13-14,16H2,1-2H3,(H2,40,44)(H,41,43)/t26-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cat V				Bioorg Med Chem Lett 20: 7444-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.015 BindingDB Entry DOI: 10.7270/Q29S1R8D
					More data for this Ligand-Target Pair

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