Compile Data Set for Download or QSAR

Found 850 hits with Last Name = 'luebbers' and Initial = 't'   

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))	BDBM129694 (US8802665, 27) Show SMILES Clc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)N1CCSCC1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H27ClN4O4S2/c24-17-3-1-2-4-19(17)34(31,32)16-13-18(20(29)26-22(15-25)5-6-22)28(14-16)21(30)23(7-8-23)27-9-11-33-12-10-27/h1-4,16,18H,5-14H2,(H,26,29)/t16-,18+/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	0.300	n/a	n/a	n/a	n/a	6.5	n/a
Genentech, 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 US8802665 (2014) BindingDB Entry DOI: 10.7270/Q2K64GR4
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM129710 (US8802665, 43) Show SMILES Clc1cccc(c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)N1CCCCC1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H29ClN4O4S/c25-17-5-4-6-18(13-17)34(32,33)19-14-20(21(30)27-23(16-26)7-8-23)29(15-19)22(31)24(9-10-24)28-11-2-1-3-12-28/h4-6,13,19-20H,1-3,7-12,14-15H2,(H,27,30)/t19-,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	0.300	n/a	n/a	n/a	n/a	6.5	n/a
Genentech, 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 US8802665 (2014) BindingDB Entry DOI: 10.7270/Q2K64GR4
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM240629 (US9409882, 34) Show SMILES Cc1ncccc1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C30H26Cl2FN5O4S/c1-17-21(3-2-10-35-17)18-4-5-25(22(32)11-18)43(41,42)20-13-24(27(39)37-29(16-34)6-7-29)38(15-20)28(40)30(8-9-30)26-23(33)12-19(31)14-36-26/h2-5,10-12,14,20,24H,6-9,13,15H2,1H3,(H,37,39)/t20-,24+/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	0.322	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 US9409882 (2016) BindingDB Entry DOI: 10.7270/Q2B56HNF
					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))	BDBM447439 ((2S,4R)-4-[4-(5-Methyl-tetrazol-1-yl)-2-trifluorom...) Show SMILES Cc1nnnn1-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H21F6N7O4S/c1-12-32-33-34-36(12)13-2-3-17(15(8-13)22(24,25)26)41(39,40)14-9-16(18(37)31-20(11-30)4-5-20)35(10-14)19(38)21(6-7-21)23(27,28)29/h2-3,8,14,16H,4-7,9-10H2,1H3,(H,31,37)/t14-,16+/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	0.349	n/a	n/a	n/a	n/a	n/a	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 US10689339 (2020) BindingDB Entry DOI: 10.7270/Q29Z97ZX
					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))	BDBM240628 (US9409882, 33) Show SMILES Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C28H25Cl2FN6O4S/c1-36-13-17(11-34-36)16-2-3-23(20(30)8-16)42(40,41)19-10-22(25(38)35-27(15-32)4-5-27)37(14-19)26(39)28(6-7-28)24-21(31)9-18(29)12-33-24/h2-3,8-9,11-13,19,22H,4-7,10,14H2,1H3,(H,35,38)/t19-,22+/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	0.375	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 US9409882 (2016) BindingDB Entry DOI: 10.7270/Q2B56HNF
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM130419 (US8822505, 21 | US8822505, 23 | US8822505, 24) Show SMILES CC(C)(C)OC(=O)N1CCC1(C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(F)cc1Cl)c1ncc(Cl)cc1F |r| Show InChI InChI=1S/C29H29Cl2F2N5O6S/c1-27(2,3)44-26(41)38-9-8-29(38,23-20(33)10-16(30)13-35-23)25(40)37-14-18(12-21(37)24(39)36-28(15-34)6-7-28)45(42,43)22-5-4-17(32)11-19(22)31/h4-5,10-11,13,18,21H,6-9,12,14H2,1-3H3,(H,36,39)/t18-,21+,29?/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	0.377	n/a	n/a	n/a	n/a	6.5	n/a
Genentech, 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 US8822505 (2014) BindingDB Entry DOI: 10.7270/Q2CF9NTJ
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM240631 (US9409882, 36) Show SMILES Cc1ncccc1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(I)cc1F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C30H26ClFIN5O4S/c1-17-21(3-2-10-35-17)18-4-5-25(22(31)11-18)43(41,42)20-13-24(27(39)37-29(16-34)6-7-29)38(15-20)28(40)30(8-9-30)26-23(32)12-19(33)14-36-26/h2-5,10-12,14,20,24H,6-9,13,15H2,1H3,(H,37,39)/t20-,24+/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	0.382	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 US9409882 (2016) BindingDB Entry DOI: 10.7270/Q2B56HNF
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM447446 ((2S,4R)-4-(4-[1,2,3]Triazol-1-yl-2-trifluoromethyl...) Show SMILES FC(F)(F)c1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-n1ccnn1 |r| Show InChI InChI=1S/C23H20F6N6O4S/c24-22(25,26)15-9-13(35-8-7-31-33-35)1-2-17(15)40(38,39)14-10-16(18(36)32-20(12-30)3-4-20)34(11-14)19(37)21(5-6-21)23(27,28)29/h1-2,7-9,14,16H,3-6,10-11H2,(H,32,36)/t14-,16+/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	0.382	n/a	n/a	n/a	n/a	n/a	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 US10689339 (2020) BindingDB Entry DOI: 10.7270/Q29Z97ZX
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM447418 ((2S,4R)-4-(4-(1H-1,2,4-triazol-1-yl)-2-(trifluorom...) Show SMILES FC(F)(F)c1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-n1cncn1 |r| Show InChI InChI=1S/C23H20F6N6O4S/c24-22(25,26)15-7-13(35-12-31-11-32-35)1-2-17(15)40(38,39)14-8-16(18(36)33-20(10-30)3-4-20)34(9-14)19(37)21(5-6-21)23(27,28)29/h1-2,7,11-12,14,16H,3-6,8-9H2,(H,33,36)/t14-,16+/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	0.391	n/a	n/a	n/a	n/a	n/a	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 US10689339 (2020) BindingDB Entry DOI: 10.7270/Q29Z97ZX
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM240599 (US9409882, 4) Show SMILES COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H23Cl2FN4O5S/c1-37-15-2-3-20(17(27)9-15)38(35,36)16-10-19(22(33)31-24(13-29)4-5-24)32(12-16)23(34)25(6-7-25)21-18(28)8-14(26)11-30-21/h2-3,8-9,11,16,19H,4-7,10,12H2,1H3,(H,31,33)/t16-,19+/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	0.393	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 US9409882 (2016) BindingDB Entry DOI: 10.7270/Q2B56HNF
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM240600 (US9409882, 5) Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C24H21Cl2FN4O4S/c25-14-9-17(27)20(29-11-14)24(7-8-24)22(33)31-12-15(36(34,35)19-4-2-1-3-16(19)26)10-18(31)21(32)30-23(13-28)5-6-23/h1-4,9,11,15,18H,5-8,10,12H2,(H,30,32)/t15-,18+/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	0.398	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 US9409882 (2016) BindingDB Entry DOI: 10.7270/Q2B56HNF
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM129709 (US8802665, 42) Show SMILES Fc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)N1CCCCC1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H28ClFN4O4S/c25-18-12-16(26)4-5-20(18)35(33,34)17-13-19(21(31)28-23(15-27)6-7-23)30(14-17)22(32)24(8-9-24)29-10-2-1-3-11-29/h4-5,12,17,19H,1-3,6-11,13-14H2,(H,28,31)/t17-,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	0.400	n/a	n/a	n/a	n/a	6.5	n/a
Genentech, 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 US8802665 (2014) BindingDB Entry DOI: 10.7270/Q2K64GR4
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM129711 (US8802665, 44) Show SMILES Cc1ccc(cc1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)N1CCCCC1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H32N4O4S/c1-18-5-7-19(8-6-18)34(32,33)20-15-21(22(30)27-24(17-26)9-10-24)29(16-20)23(31)25(11-12-25)28-13-3-2-4-14-28/h5-8,20-21H,2-4,9-16H2,1H3,(H,27,30)/t20-,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	0.400	n/a	n/a	n/a	n/a	6.5	n/a
Genentech, 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 US8802665 (2014) BindingDB Entry DOI: 10.7270/Q2K64GR4
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM129713 (US8802665, 46) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)N1CCCCC1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H29F3N4O4S/c26-25(27,28)17-5-4-6-18(13-17)37(35,36)19-14-20(21(33)30-23(16-29)7-8-23)32(15-19)22(34)24(9-10-24)31-11-2-1-3-12-31/h4-6,13,19-20H,1-3,7-12,14-15H2,(H,30,33)/t19-,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	0.400	n/a	n/a	n/a	n/a	6.5	n/a
Genentech, 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 US8802665 (2014) BindingDB Entry DOI: 10.7270/Q2K64GR4
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM129693 (US8802665, 26) Show SMILES CC1CCCN(C1)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C25H31ClN4O4S/c1-17-5-4-12-29(14-17)25(10-11-25)23(32)30-15-18(35(33,34)21-7-3-2-6-19(21)26)13-20(30)22(31)28-24(16-27)8-9-24/h2-3,6-7,17-18,20H,4-5,8-15H2,1H3,(H,28,31)/t17?,18-,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	0.400	n/a	n/a	n/a	n/a	6.5	n/a
Genentech, 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 US8802665 (2014) BindingDB Entry DOI: 10.7270/Q2K64GR4
					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))	BDBM240603 (US9409882, 8) Show SMILES Fc1cc(Br)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C24H21BrClFN4O4S/c25-14-9-17(27)20(29-11-14)24(7-8-24)22(33)31-12-15(36(34,35)19-4-2-1-3-16(19)26)10-18(31)21(32)30-23(13-28)5-6-23/h1-4,9,11,15,18H,5-8,10,12H2,(H,30,32)/t15-,18+/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	0.438	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 US9409882 (2016) BindingDB Entry DOI: 10.7270/Q2B56HNF
					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))	BDBM240625 (US9409882, 30) Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(Br)cc1Cl |r| Show InChI InChI=1S/C24H20BrCl2FN4O4S/c25-13-1-2-19(16(27)7-13)37(35,36)15-9-18(21(33)31-23(12-29)3-4-23)32(11-15)22(34)24(5-6-24)20-17(28)8-14(26)10-30-20/h1-2,7-8,10,15,18H,3-6,9,11H2,(H,31,33)/t15-,18+/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	0.474	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 US9409882 (2016) BindingDB Entry DOI: 10.7270/Q2B56HNF
					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))	BDBM447431 ((2S,4R)-4-(4-(2-aminopyrimidin-5-yl)phenylsulfonyl...) Show SMILES Nc1ncc(cn1)-c1ccc(cc1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H23F3N6O4S/c25-24(26,27)23(7-8-23)20(35)33-12-17(9-18(33)19(34)32-22(13-28)5-6-22)38(36,37)16-3-1-14(2-4-16)15-10-30-21(29)31-11-15/h1-4,10-11,17-18H,5-9,12H2,(H,32,34)(H2,29,30,31)/t17-,18+/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	0.483	n/a	n/a	n/a	n/a	n/a	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 US10689339 (2020) BindingDB Entry DOI: 10.7270/Q29Z97ZX
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM447444 ((2S,4R)-4-(2-chloro-4-(5-methyl-1H-1,2,4-triazol-1...) Show SMILES Cc1ncnn1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H22ClF3N6O4S/c1-13-29-12-30-33(13)14-2-3-18(16(24)8-14)38(36,37)15-9-17(19(34)31-21(11-28)4-5-21)32(10-15)20(35)22(6-7-22)23(25,26)27/h2-3,8,12,15,17H,4-7,9-10H2,1H3,(H,31,34)/t15-,17+/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	0.486	n/a	n/a	n/a	n/a	n/a	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 US10689339 (2020) BindingDB Entry DOI: 10.7270/Q29Z97ZX
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM240597 (US9409882, 2) Show SMILES Clc1ccc(nc1)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C24H22Cl2N4O4S/c25-15-5-6-20(28-12-15)24(9-10-24)22(32)30-13-16(35(33,34)19-4-2-1-3-17(19)26)11-18(30)21(31)29-23(14-27)7-8-23/h1-6,12,16,18H,7-11,13H2,(H,29,31)/t16-,18+/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	0.492	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 US9409882 (2016) BindingDB Entry DOI: 10.7270/Q2B56HNF
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM130420 (US8822505, 22 | US8822505, 25 | US8822505, 26) Show SMILES CC(C)(C)OC(=O)N1CCC1(C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(F)cc1Cl)c1ncc(Br)cc1F |r| Show InChI InChI=1S/C29H29BrClF2N5O6S/c1-27(2,3)44-26(41)38-9-8-29(38,23-20(33)10-16(30)13-35-23)25(40)37-14-18(12-21(37)24(39)36-28(15-34)6-7-28)45(42,43)22-5-4-17(32)11-19(22)31/h4-5,10-11,13,18,21H,6-9,12,14H2,1-3H3,(H,36,39)/t18-,21+,29?/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	0.492	n/a	n/a	n/a	n/a	6.5	n/a
Genentech, 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 US8822505 (2014) BindingDB Entry DOI: 10.7270/Q2CF9NTJ
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309502 (CHEMBL591279 | rac-3-(3-(fluoromethyl)phenyl)-9,10...) Show SMILES COc1cc2CCN3C[C@@H](C(N)C[C@H]3c2cc1OC)c1cccc(CF)c1 |r| Show InChI InChI=1S/C22H27FN2O2/c1-26-21-9-16-6-7-25-13-18(15-5-3-4-14(8-15)12-23)19(24)11-20(25)17(16)10-22(21)27-2/h3-5,8-10,18-20H,6-7,11-13,24H2,1-2H3/t18-,19?,20+/m1/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 20: 1106-8 (2010) Article DOI: 10.1016/j.bmcl.2009.12.025 BindingDB Entry DOI: 10.7270/Q2SJ1KQ3
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM129692 (US8802665, 25) Show SMILES Clc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)N1CCCCC1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H29ClN4O4S/c25-18-6-2-3-7-20(18)34(32,33)17-14-19(21(30)27-23(16-26)8-9-23)29(15-17)22(31)24(10-11-24)28-12-4-1-5-13-28/h2-3,6-7,17,19H,1,4-5,8-15H2,(H,27,30)/t17-,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	0.5	n/a	n/a	n/a	n/a	6.5	n/a
Genentech, 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 US8802665 (2014) BindingDB Entry DOI: 10.7270/Q2K64GR4
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM129707 (US8802665, 40) Show SMILES Clc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)N1CCCCCC1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H31ClN4O4S/c26-19-7-3-4-8-21(19)35(33,34)18-15-20(22(31)28-24(17-27)9-10-24)30(16-18)23(32)25(11-12-25)29-13-5-1-2-6-14-29/h3-4,7-8,18,20H,1-2,5-6,9-16H2,(H,28,31)/t18-,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	0.5	n/a	n/a	n/a	n/a	6.5	n/a
Genentech, 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 US8802665 (2014) BindingDB Entry DOI: 10.7270/Q2K64GR4
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM129705 (US8802665, 38) Show SMILES CC1CCN(CC1)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C25H31ClN4O4S/c1-17-6-12-29(13-7-17)25(10-11-25)23(32)30-15-18(35(33,34)21-5-3-2-4-19(21)26)14-20(30)22(31)28-24(16-27)8-9-24/h2-5,17-18,20H,6-15H2,1H3,(H,28,31)/t18-,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	0.5	n/a	n/a	n/a	n/a	6.5	n/a
Genentech, 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 US8802665 (2014) BindingDB Entry DOI: 10.7270/Q2K64GR4
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM240626 (US9409882, 31) Show SMILES Cc1cc(ccn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C30H26Cl2FN5O4S/c1-17-10-19(4-9-35-17)18-2-3-25(22(32)11-18)43(41,42)21-13-24(27(39)37-29(16-34)5-6-29)38(15-21)28(40)30(7-8-30)26-23(33)12-20(31)14-36-26/h2-4,9-12,14,21,24H,5-8,13,15H2,1H3,(H,37,39)/t21-,24+/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	0.505	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 US9409882 (2016) BindingDB Entry DOI: 10.7270/Q2B56HNF
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM447445 ((2S,4R)-4-(4-[1,2,3]Triazol-2-yl-2-trifluoromethyl...) Show SMILES FC(F)(F)c1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-n1nccn1 |r| Show InChI InChI=1S/C23H20F6N6O4S/c24-22(25,26)15-9-13(35-31-7-8-32-35)1-2-17(15)40(38,39)14-10-16(18(36)33-20(12-30)3-4-20)34(11-14)19(37)21(5-6-21)23(27,28)29/h1-2,7-9,14,16H,3-6,10-11H2,(H,33,36)/t14-,16+/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	0.506	n/a	n/a	n/a	n/a	n/a	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 US10689339 (2020) BindingDB Entry DOI: 10.7270/Q29Z97ZX
					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))	BDBM447436 ((2S,4R)-4-(4-(2-aminopyrimidin-5-yl)-2-methylpheny...) Show SMILES Cc1cc(ccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C25H25F3N6O4S/c1-14-8-15(16-10-31-22(30)32-11-16)2-3-19(14)39(37,38)17-9-18(20(35)33-23(13-29)4-5-23)34(12-17)21(36)24(6-7-24)25(26,27)28/h2-3,8,10-11,17-18H,4-7,9,12H2,1H3,(H,33,35)(H2,30,31,32)/t17-,18+/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	0.510	n/a	n/a	n/a	n/a	n/a	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 US10689339 (2020) BindingDB Entry DOI: 10.7270/Q29Z97ZX
					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))	BDBM130414 (US8822505, 14 | US8822505, 16) Show SMILES CN1CC(C1)(C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl)c1ncc(Br)cc1F |r| Show InChI InChI=1S/C25H24BrClFN5O4S/c1-32-13-25(14-32,21-18(28)8-15(26)10-30-21)23(35)33-11-16(38(36,37)20-5-3-2-4-17(20)27)9-19(33)22(34)31-24(12-29)6-7-24/h2-5,8,10,16,19H,6-7,9,11,13-14H2,1H3,(H,31,34)/t16-,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	0.525	n/a	n/a	n/a	n/a	6.5	n/a
Genentech, 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 US8822505 (2014) BindingDB Entry DOI: 10.7270/Q2CF9NTJ
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM447448 ((2S,4R)-4-[4-(1-Difluoromethyl-1Hpyrazol-4-yl)-2-t...) Show SMILES FC(F)n1cc(cn1)-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H21F8N5O4S/c26-21(27)38-10-14(9-35-38)13-1-2-18(16(7-13)24(28,29)30)43(41,42)15-8-17(19(39)36-22(12-34)3-4-22)37(11-15)20(40)23(5-6-23)25(31,32)33/h1-2,7,9-10,15,17,21H,3-6,8,11H2,(H,36,39)/t15-,17+/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	0.526	n/a	n/a	n/a	n/a	n/a	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 US10689339 (2020) BindingDB Entry DOI: 10.7270/Q29Z97ZX
					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))	BDBM447360 ((2S,4R)-4-(2-chloro-4-(3-methyl-1H-1,2,4-triazol-1...) Show SMILES Cc1ncn(n1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H22ClF3N6O4S/c1-13-29-12-33(31-13)14-2-3-18(16(24)8-14)38(36,37)15-9-17(19(34)30-21(11-28)4-5-21)32(10-15)20(35)22(6-7-22)23(25,26)27/h2-3,8,12,15,17H,4-7,9-10H2,1H3,(H,30,34)/t15-,17+/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	0.529	n/a	n/a	n/a	n/a	n/a	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 US10689339 (2020) BindingDB Entry DOI: 10.7270/Q29Z97ZX
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM447313 ((2S,4R)-4-(2-chloro-4-(5-methyl-2H-tetrazol-2-yl)p...) Show SMILES Cc1nnn(n1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C22H21ClF3N7O4S/c1-12-29-31-33(30-12)13-2-3-17(15(23)8-13)38(36,37)14-9-16(18(34)28-20(11-27)4-5-20)32(10-14)19(35)21(6-7-21)22(24,25)26/h2-3,8,14,16H,4-7,9-10H2,1H3,(H,28,34)/t14-,16+/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	0.533	n/a	n/a	n/a	n/a	n/a	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 US10689339 (2020) BindingDB Entry DOI: 10.7270/Q29Z97ZX
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM447423 ((2S,4R)—N-(1-cyanocyclopropyl)-4-(4-(5-methyl-1H-1...) Show SMILES Cc1ncnn1-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H22F6N6O4S/c1-13-32-12-33-36(13)14-2-3-18(16(8-14)23(25,26)27)41(39,40)15-9-17(19(37)34-21(11-31)4-5-21)35(10-15)20(38)22(6-7-22)24(28,29)30/h2-3,8,12,15,17H,4-7,9-10H2,1H3,(H,34,37)/t15-,17+/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	0.540	n/a	n/a	n/a	n/a	n/a	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 US10689339 (2020) BindingDB Entry DOI: 10.7270/Q29Z97ZX
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM240623 (US9409882, 28) Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1cc(ccc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C25H20Cl2F4N4O4S/c26-14-8-17(28)20(33-10-14)24(5-6-24)22(37)35-11-15(9-18(35)21(36)34-23(12-32)3-4-23)40(38,39)19-7-13(25(29,30)31)1-2-16(19)27/h1-2,7-8,10,15,18H,3-6,9,11H2,(H,34,36)/t15-,18+/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	0.543	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 US9409882 (2016) BindingDB Entry DOI: 10.7270/Q2B56HNF
					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))	BDBM447419 ((2S,4R)-4-[4-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-2-...) Show SMILES Cc1nc(C)n(n1)-c1ccc(c(c1)C(F)(F)F)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H24F6N6O4S/c1-13-33-14(2)37(35-13)15-3-4-19(17(9-15)24(26,27)28)42(40,41)16-10-18(20(38)34-22(12-32)5-6-22)36(11-16)21(39)23(7-8-23)25(29,30)31/h3-4,9,16,18H,5-8,10-11H2,1-2H3,(H,34,38)/t16-,18+/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	0.558	n/a	n/a	n/a	n/a	n/a	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 US10689339 (2020) BindingDB Entry DOI: 10.7270/Q29Z97ZX
					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))	BDBM447340 ((2S,4R)-4-(2-chloro-4-(2H-1,2,3-triazol-2-yl)pheny...) Show SMILES FC(F)(F)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1Cl)-n1nccn1 |r| Show InChI InChI=1S/C22H20ClF3N6O4S/c23-15-9-13(32-28-7-8-29-32)1-2-17(15)37(35,36)14-10-16(18(33)30-20(12-27)3-4-20)31(11-14)19(34)21(5-6-21)22(24,25)26/h1-2,7-9,14,16H,3-6,10-11H2,(H,30,33)/t14-,16+/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	0.560	n/a	n/a	n/a	n/a	n/a	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 US10689339 (2020) BindingDB Entry DOI: 10.7270/Q29Z97ZX
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM447408 ((2S,4R)-4-(2-chloro-4-(3-chloro-1H-1,2,4-triazol-1...) Show SMILES FC(F)(F)C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1Cl)-n1cnc(Cl)n1 |r| Show InChI InChI=1S/C22H19Cl2F3N6O4S/c23-14-7-12(33-11-29-19(24)31-33)1-2-16(14)38(36,37)13-8-15(17(34)30-20(10-28)3-4-20)32(9-13)18(35)21(5-6-21)22(25,26)27/h1-2,7,11,13,15H,3-6,8-9H2,(H,30,34)/t13-,15+/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	0.563	n/a	n/a	n/a	n/a	n/a	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 US10689339 (2020) BindingDB Entry DOI: 10.7270/Q29Z97ZX
					More data for this Ligand-Target Pair

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