Compile Data Set for Download or QSAR

Found 248 hits Enz. Inhib. hit(s) with all data for entry = 6314   

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
Cathepsin S (Homo sapiens (Human))	BDBM122478 (US8729061, 8) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H31Cl2N3O6S/c1-2-22(25(35)27(37)32-19-11-12-19)33-26(36)23-15-20(41(39,40)24-6-4-3-5-21(24)31)16-34(23)28(38)29(13-14-29)17-7-9-18(30)10-8-17/h3-10,19-20,22-23H,2,11-16H2,1H3,(H,32,37)(H,33,36)/t20-,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.296	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122498 (US8729061, 28) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H33Cl2N3O6S/c1-17(2)25(26(36)28(38)33-20-11-12-20)34-27(37)23-15-21(42(40,41)24-6-4-3-5-22(24)32)16-35(23)29(39)30(13-14-30)18-7-9-19(31)10-8-18/h3-10,17,20-21,23,25H,11-16H2,1-2H3,(H,33,38)(H,34,37)/t21-,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.328	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122508 (US8729061, 38) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H30Cl3N3O6S/c1-2-22(25(36)27(38)33-19-8-9-19)34-26(37)23-14-20(42(40,41)24-10-7-18(31)13-21(24)32)15-35(23)28(39)29(11-12-29)16-3-5-17(30)6-4-16/h3-7,10,13,19-20,22-23H,2,8-9,11-12,14-15H2,1H3,(H,33,38)(H,34,37)/t20-,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122479 (US8729061, 9) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H33Cl2N3O6S/c1-2-5-23(26(36)28(38)33-20-12-13-20)34-27(37)24-16-21(42(40,41)25-7-4-3-6-22(25)32)17-35(24)29(39)30(14-15-30)18-8-10-19(31)11-9-18/h3-4,6-11,20-21,23-24H,2,5,12-17H2,1H3,(H,33,38)(H,34,37)/t21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.367	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122495 (US8729061, 25) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C28H29Cl2FN4O6S/c1-2-20(23(36)26(38)33-16-7-8-16)34-25(37)21-12-17(42(40,41)22-6-4-3-5-18(22)30)14-35(21)27(39)28(9-10-28)24-19(31)11-15(29)13-32-24/h3-6,11,13,16-17,20-21H,2,7-10,12,14H2,1H3,(H,33,38)(H,34,37)/t17-,20+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.403	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122486 (US8729061, 16) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Br)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H33BrClN3O6S/c1-2-5-23(26(36)28(38)33-20-12-13-20)34-27(37)24-16-21(42(40,41)25-7-4-3-6-22(25)32)17-35(24)29(39)30(14-15-30)18-8-10-19(31)11-9-18/h3-4,6-11,20-21,23-24H,2,5,12-17H2,1H3,(H,33,38)(H,34,37)/t21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.442	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122528 (US8729061, 58) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H31Cl2FN4O6S/c1-15(2)23(24(37)27(39)34-17-7-8-17)35-26(38)21-12-18(43(41,42)22-6-4-3-5-19(22)31)14-36(21)28(40)29(9-10-29)25-20(32)11-16(30)13-33-25/h3-6,11,13,15,17-18,21,23H,7-10,12,14H2,1-2H3,(H,34,39)(H,35,38)/t18-,21+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.478	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122513 (US8729061, 43) Show SMILES CCNC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C28H31Cl2N3O6S/c1-3-21(24(34)26(36)31-4-2)32-25(35)22-15-19(40(38,39)23-8-6-5-7-20(23)30)16-33(22)27(37)28(13-14-28)17-9-11-18(29)12-10-17/h5-12,19,21-22H,3-4,13-16H2,1-2H3,(H,31,36)(H,32,35)/t19-,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.508	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122485 (US8729061, 15) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Br)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H31BrClN3O6S/c1-2-22(25(35)27(37)32-19-11-12-19)33-26(36)23-15-20(41(39,40)24-6-4-3-5-21(24)31)16-34(23)28(38)29(13-14-29)17-7-9-18(30)10-8-17/h3-10,19-20,22-23H,2,11-16H2,1H3,(H,32,37)(H,33,36)/t20-,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.520	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122518 (US8729061, 48) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H32Cl2FN3O6S/c1-2-3-23(26(37)28(39)34-20-9-10-20)35-27(38)24-15-21(43(41,42)25-11-8-19(33)14-22(25)32)16-36(24)29(40)30(12-13-30)17-4-6-18(31)7-5-17/h4-8,11,14,20-21,23-24H,2-3,9-10,12-13,15-16H2,1H3,(H,34,39)(H,35,38)/t21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.527	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122494 (US8729061, 24) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H31Cl2FN4O6S/c1-2-5-21(24(37)27(39)34-17-8-9-17)35-26(38)22-13-18(43(41,42)23-7-4-3-6-19(23)31)15-36(22)28(40)29(10-11-29)25-20(32)12-16(30)14-33-25/h3-4,6-7,12,14,17-18,21-22H,2,5,8-11,13,15H2,1H3,(H,34,39)(H,35,38)/t18-,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122509 (US8729061, 39) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H30Cl2FN3O6S/c1-2-22(25(36)27(38)33-19-8-9-19)34-26(37)23-14-20(42(40,41)24-10-7-18(32)13-21(24)31)15-35(23)28(39)29(11-12-29)16-3-5-17(30)6-4-16/h3-7,10,13,19-20,22-23H,2,8-9,11-12,14-15H2,1H3,(H,33,38)(H,34,37)/t20-,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.558	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122490 (US8729061, 20) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H31ClF4N4O6S/c1-2-5-21(24(40)27(42)37-17-8-9-17)38-26(41)22-13-18(46(44,45)23-7-4-3-6-19(23)30(33,34)35)15-39(22)28(43)29(10-11-29)25-20(32)12-16(31)14-36-25/h3-4,6-7,12,14,17-18,21-22H,2,5,8-11,13,15H2,1H3,(H,37,42)(H,38,41)/t18-,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122511 (US8729061, 41) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC(C)C |r| Show InChI InChI=1S/C30H35Cl2N3O6S/c1-4-7-23(26(36)28(38)33-18(2)3)34-27(37)24-16-21(42(40,41)25-9-6-5-8-22(25)32)17-35(24)29(39)30(14-15-30)19-10-12-20(31)13-11-19/h5-6,8-13,18,21,23-24H,4,7,14-17H2,1-3H3,(H,33,38)(H,34,37)/t21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.568	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122489 (US8729061, 19) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H29ClF4N4O6S/c1-2-20(23(39)26(41)36-16-7-8-16)37-25(40)21-12-17(45(43,44)22-6-4-3-5-18(22)29(32,33)34)14-38(21)27(42)28(9-10-28)24-19(31)11-15(30)13-35-24/h3-6,11,13,16-17,20-21H,2,7-10,12,14H2,1H3,(H,36,41)(H,37,40)/t17-,20+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.593	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122488 (US8729061, 18) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(I)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H33ClIN3O6S/c1-2-5-23(26(36)28(38)33-20-12-13-20)34-27(37)24-16-21(42(40,41)25-7-4-3-6-22(25)31)17-35(24)29(39)30(14-15-30)18-8-10-19(32)11-9-18/h3-4,6-11,20-21,23-24H,2,5,12-17H2,1H3,(H,33,38)(H,34,37)/t21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122524 (US8729061, 54) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCCOC |r| Show InChI InChI=1S/C29H33Cl2N3O7S/c1-3-22(25(35)27(37)32-14-15-41-2)33-26(36)23-16-20(42(39,40)24-7-5-4-6-21(24)31)17-34(23)28(38)29(12-13-29)18-8-10-19(30)11-9-18/h4-11,20,22-23H,3,12-17H2,1-2H3,(H,32,37)(H,33,36)/t20-,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.630	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122512 (US8729061, 42) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H32Cl3N3O6S/c1-2-3-23(26(37)28(39)34-20-9-10-20)35-27(38)24-15-21(43(41,42)25-11-8-19(32)14-22(25)33)16-36(24)29(40)30(12-13-30)17-4-6-18(31)7-5-17/h4-8,11,14,20-21,23-24H,2-3,9-10,12-13,15-16H2,1H3,(H,34,39)(H,35,38)/t21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.634	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122487 (US8729061, 17) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(I)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H31ClIN3O6S/c1-2-22(25(35)27(37)32-19-11-12-19)33-26(36)23-15-20(41(39,40)24-6-4-3-5-21(24)30)16-34(23)28(38)29(13-14-29)17-7-9-18(31)10-8-17/h3-10,19-20,22-23H,2,11-16H2,1H3,(H,32,37)(H,33,36)/t20-,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.652	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122484 (US8729061, 14) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H30BrClFN3O6S/c1-2-22(25(36)27(38)33-17-8-9-17)34-26(37)23-14-18(42(40,41)24-6-4-3-5-20(24)31)15-35(23)28(39)29(11-12-29)19-10-7-16(30)13-21(19)32/h3-7,10,13,17-18,22-23H,2,8-9,11-12,14-15H2,1H3,(H,33,38)(H,34,37)/t18-,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.668	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122491 (US8729061, 21) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C30H31ClF3N3O6S/c1-2-22(25(38)27(40)35-19-11-12-19)36-26(39)23-15-20(44(42,43)24-6-4-3-5-21(24)30(32,33)34)16-37(23)28(41)29(13-14-29)17-7-9-18(31)10-8-17/h3-10,19-20,22-23H,2,11-16H2,1H3,(H,35,40)(H,36,39)/t20-,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.668	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122523 (US8729061, 53) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CCOCC1 |r| Show InChI InChI=1S/C31H35Cl2N3O7S/c1-2-24(27(37)29(39)34-21-11-15-43-16-12-21)35-28(38)25-17-22(44(41,42)26-6-4-3-5-23(26)33)18-36(25)30(40)31(13-14-31)19-7-9-20(32)10-8-19/h3-10,21-22,24-25H,2,11-18H2,1H3,(H,34,39)(H,35,38)/t22-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.676	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122483 (US8729061, 13) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H30Cl2FN3O6S/c1-2-22(25(36)27(38)33-17-8-9-17)34-26(37)23-14-18(42(40,41)24-6-4-3-5-20(24)31)15-35(23)28(39)29(11-12-29)19-10-7-16(30)13-21(19)32/h3-7,10,13,17-18,22-23H,2,8-9,11-12,14-15H2,1H3,(H,33,38)(H,34,37)/t18-,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.704	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122502 (US8729061, 32) Show SMILES CCCCNC(=O)C(=O)[C@H](CCC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C31H37Cl2N3O6S/c1-3-5-17-34-29(39)27(37)24(8-4-2)35-28(38)25-18-22(43(41,42)26-10-7-6-9-23(26)33)19-36(25)30(40)31(15-16-31)20-11-13-21(32)14-12-20/h6-7,9-14,22,24-25H,3-5,8,15-19H2,1-2H3,(H,34,39)(H,35,38)/t22-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.734	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122482 (US8729061, 12) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C32H29Cl2N3O6S/c1-2-23(28(38)30-36-24-8-4-5-9-26(24)43-30)35-29(39)25-17-21(44(41,42)27-10-6-3-7-22(27)34)18-37(25)31(40)32(15-16-32)19-11-13-20(33)14-12-19/h3-14,21,23,25H,2,15-18H2,1H3,(H,35,39)/t21-,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.737	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122506 (US8729061, 36) Show SMILES CCCC(C)NC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C31H37Cl2N3O6S/c1-4-8-19(3)34-29(39)27(37)24(5-2)35-28(38)25-17-22(43(41,42)26-10-7-6-9-23(26)33)18-36(25)30(40)31(15-16-31)20-11-13-21(32)14-12-20/h6-7,9-14,19,22,24-25H,4-5,8,15-18H2,1-3H3,(H,34,39)(H,35,38)/t19?,22-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.776	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122514 (US8729061, 44) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCC |r| Show InChI InChI=1S/C29H33Cl2N3O6S/c1-3-7-22(25(35)27(37)32-4-2)33-26(36)23-16-20(41(39,40)24-9-6-5-8-21(24)31)17-34(23)28(38)29(14-15-29)18-10-12-19(30)13-11-18/h5-6,8-13,20,22-23H,3-4,7,14-17H2,1-2H3,(H,32,37)(H,33,36)/t20-,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.779	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122504 (US8729061, 34) Show SMILES C[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C28H29Cl2N3O6S/c1-16(24(34)26(36)32-19-10-11-19)31-25(35)22-14-20(40(38,39)23-5-3-2-4-21(23)30)15-33(22)27(37)28(12-13-28)17-6-8-18(29)9-7-17/h2-9,16,19-20,22H,10-15H2,1H3,(H,31,35)(H,32,36)/t16-,20+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.787	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122501 (US8729061, 31) Show SMILES CCCCNC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C30H35Cl2N3O6S/c1-3-5-16-33-28(38)26(36)23(4-2)34-27(37)24-17-21(42(40,41)25-9-7-6-8-22(25)32)18-35(24)29(39)30(14-15-30)19-10-12-20(31)13-11-19/h6-13,21,23-24H,3-5,14-18H2,1-2H3,(H,33,38)(H,34,37)/t21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.827	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122471 (US8729061, 1) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1C)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C26H37N3O7S/c1-7-19(22(30)24(32)27-17-9-10-17)28-23(31)20-13-18(14-29(20)25(33)36-26(4,5)6)37(34,35)21-11-8-15(2)12-16(21)3/h8,11-12,17-20H,7,9-10,13-14H2,1-6H3,(H,27,32)(H,28,31)/t18-,19+,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.829	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122525 (US8729061, 55) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCC(C)C |r| Show InChI InChI=1S/C30H35Cl2N3O6S/c1-4-23(26(36)28(38)33-16-18(2)3)34-27(37)24-15-21(42(40,41)25-8-6-5-7-22(25)32)17-35(24)29(39)30(13-14-30)19-9-11-20(31)12-10-19/h5-12,18,21,23-24H,4,13-17H2,1-3H3,(H,33,38)(H,34,37)/t21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.876	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM122528 (US8729061, 58) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H31Cl2FN4O6S/c1-15(2)23(24(37)27(39)34-17-7-8-17)35-26(38)21-12-18(43(41,42)22-6-4-3-5-19(22)31)14-36(21)28(40)29(9-10-29)25-20(32)11-16(30)13-33-25/h3-6,11,13,15,17-18,21,23H,7-10,12,14H2,1-2H3,(H,34,39)(H,35,38)/t18-,21+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122519 (US8729061, 49) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C34H35Cl2N3O6S/c1-2-27(30(40)32(42)37-19-16-22-8-4-3-5-9-22)38-31(41)28-20-25(46(44,45)29-11-7-6-10-26(29)36)21-39(28)33(43)34(17-18-34)23-12-14-24(35)15-13-23/h3-15,25,27-28H,2,16-21H2,1H3,(H,37,42)(H,38,41)/t25-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.901	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122476 (US8729061, 6) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1c1cc(C)nn1C1CCC1)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C28H33BrF3N5O5S/c1-3-21(25(38)27(40)33-17-8-9-17)34-26(39)22-13-19(14-36(22)24-11-15(2)35-37(24)18-5-4-6-18)43(41,42)23-10-7-16(29)12-20(23)28(30,31)32/h7,10-12,17-19,21-22H,3-6,8-9,13-14H2,1-2H3,(H,33,40)(H,34,39)/t19-,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.976	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122492 (US8729061, 22) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C31H33ClF3N3O6S/c1-2-5-23(26(39)28(41)36-20-12-13-20)37-27(40)24-16-21(45(43,44)25-7-4-3-6-22(25)31(33,34)35)17-38(24)29(42)30(14-15-30)18-8-10-19(32)11-9-18/h3-4,6-11,20-21,23-24H,2,5,12-17H2,1H3,(H,36,41)(H,37,40)/t21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.983	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122473 (US8729061, 3) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1c1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C26H27F3N4O7S/c1-2-18(23(34)25(36)30-15-11-12-15)31-24(35)21-13-16(14-32(21)19-8-4-5-9-20(19)33(37)38)41(39,40)22-10-6-3-7-17(22)26(27,28)29/h3-10,15-16,18,21H,2,11-14H2,1H3,(H,30,36)(H,31,35)/t16-,18+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122507 (US8729061, 37) Show SMILES CCCC(C)NC(=O)C(=O)[C@H](CCC)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C32H39Cl2N3O6S/c1-4-8-20(3)35-30(40)28(38)25(9-5-2)36-29(39)26-18-23(44(42,43)27-11-7-6-10-24(27)34)19-37(26)31(41)32(16-17-32)21-12-14-22(33)15-13-21/h6-7,10-15,20,23,25-26H,4-5,8-9,16-19H2,1-3H3,(H,35,40)(H,36,39)/t20?,23-,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.02	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122510 (US8729061, 40) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C29H30Cl2F3N3O6S/c1-2-5-21(24(38)26(40)35-16-29(32,33)34)36-25(39)22-14-19(44(42,43)23-7-4-3-6-20(23)31)15-37(22)27(41)28(12-13-28)17-8-10-18(30)11-9-17/h3-4,6-11,19,21-22H,2,5,12-16H2,1H3,(H,35,40)(H,36,39)/t19-,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.06	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122503 (US8729061, 33) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C33H33Cl2N3O6S/c1-2-26(29(39)31(41)36-19-21-8-4-3-5-9-21)37-30(40)27-18-24(45(43,44)28-11-7-6-10-25(28)35)20-38(27)32(42)33(16-17-33)22-12-14-23(34)15-13-22/h3-15,24,26-27H,2,16-20H2,1H3,(H,36,41)(H,37,40)/t24-,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.11	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122472 (US8729061, 2) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1C)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C25H34ClN3O7S/c1-6-18(21(30)23(32)27-16-8-9-16)28-22(31)19-12-17(13-29(19)24(33)36-25(3,4)5)37(34,35)20-10-7-15(26)11-14(20)2/h7,10-11,16-19H,6,8-9,12-13H2,1-5H3,(H,27,32)(H,28,31)/t17-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.12	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122505 (US8729061, 35) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C34H35Cl2N3O6S/c1-2-8-27(30(40)32(42)37-20-22-9-4-3-5-10-22)38-31(41)28-19-25(46(44,45)29-12-7-6-11-26(29)36)21-39(28)33(43)34(17-18-34)23-13-15-24(35)16-14-23/h3-7,9-16,25,27-28H,2,8,17-21H2,1H3,(H,37,42)(H,38,41)/t25-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.21	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122499 (US8729061, 29) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C31H35Cl2N3O6S/c1-18(2)15-24(27(37)29(39)34-21-11-12-21)35-28(38)25-16-22(43(41,42)26-6-4-3-5-23(26)33)17-36(25)30(40)31(13-14-31)19-7-9-20(32)10-8-19/h3-10,18,21-22,24-25H,11-17H2,1-2H3,(H,34,39)(H,35,38)/t22-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.26	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122481 (US8729061, 11) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1C(F)(F)F)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C32H32ClF6N3O7S/c1-2-23(26(43)28(45)40-19-7-8-19)41-27(44)24-14-21(15-42(24)29(46)30(11-12-30)17-3-5-18(33)6-4-17)50(47,48)25-10-9-20(49-16-31(34,35)36)13-22(25)32(37,38)39/h3-6,9-10,13,19,21,23-24H,2,7-8,11-12,14-16H2,1H3,(H,40,45)(H,41,44)/t21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.38	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122500 (US8729061, 30) Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NC1CC1)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C34H39Cl2N3O6S/c35-23-12-10-22(11-13-23)34(16-17-34)33(43)39-20-25(46(44,45)29-9-5-4-8-26(29)36)19-28(39)31(41)38-27(18-21-6-2-1-3-7-21)30(40)32(42)37-24-14-15-24/h4-5,8-13,21,24-25,27-28H,1-3,6-7,14-20H2,(H,37,42)(H,38,41)/t25-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.42	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM122523 (US8729061, 53) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NC1CCOCC1 |r| Show InChI InChI=1S/C31H35Cl2N3O7S/c1-2-24(27(37)29(39)34-21-11-15-43-16-12-21)35-28(38)25-17-22(44(41,42)26-6-4-3-5-23(26)33)18-36(25)30(40)31(13-14-31)19-7-9-20(32)10-8-19/h3-10,21-22,24-25H,2,11-18H2,1H3,(H,34,39)(H,35,38)/t22-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122475 (US8729061, 5) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1c1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C29H25F3N4O7S/c1-2-19(26(37)28-34-20-10-4-7-13-24(20)43-28)33-27(38)23-15-17(16-35(23)21-11-5-6-12-22(21)36(39)40)44(41,42)25-14-8-3-9-18(25)29(30,31)32/h3-14,17,19,23H,2,15-16H2,1H3,(H,33,38)/t17-,19+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.83	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122522 (US8729061, 52) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1cccc2ccccc12 |r| Show InChI InChI=1S/C37H35Cl2N3O6S/c1-2-30(33(43)35(45)40-21-24-10-7-9-23-8-3-4-11-28(23)24)41-34(44)31-20-27(49(47,48)32-13-6-5-12-29(32)39)22-42(31)36(46)37(18-19-37)25-14-16-26(38)17-15-25/h3-17,27,30-31H,2,18-22H2,1H3,(H,40,45)(H,41,44)/t27-,30+,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.96	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM122519 (US8729061, 49) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C34H35Cl2N3O6S/c1-2-27(30(40)32(42)37-19-16-22-8-4-3-5-9-22)38-31(41)28-20-25(46(44,45)29-11-7-6-10-26(29)36)21-39(28)33(43)34(17-18-34)23-12-14-24(35)15-13-23/h3-15,25,27-28H,2,16-21H2,1H3,(H,37,42)(H,38,41)/t25-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122532 (US8729061, 62) Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ncc(Cl)cc1F)S(=O)(=O)c1ccccc1Cl)C(=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C33H33Cl2FN4O6S/c1-2-8-25(28(41)31(43)38-17-20-9-4-3-5-10-20)39-30(42)26-16-22(47(45,46)27-12-7-6-11-23(27)35)19-40(26)32(44)33(13-14-33)29-24(36)15-21(34)18-37-29/h3-7,9-12,15,18,22,25-26H,2,8,13-14,16-17,19H2,1H3,(H,38,43)(H,39,42)/t22-,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.35	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM122526 (US8729061, 56) Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)N1CCOCC1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C33H38Cl2N4O7S/c1-2-26(29(40)31(42)36-22-7-8-22)37-30(41)27-18-24(19-39(27)32(43)33(11-12-33)20-3-5-21(34)6-4-20)47(44,45)28-10-9-23(17-25(28)35)38-13-15-46-16-14-38/h3-6,9-10,17,22,24,26-27H,2,7-8,11-16,18-19H2,1H3,(H,36,42)(H,37,41)/t24-,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.57	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US8729061 (2014) BindingDB Entry DOI: 10.7270/Q2MS3RF6
					More data for this Ligand-Target Pair

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