Compile Data Set for Download or QSAR

Found 247 hits with Last Name = 'spinnler' and Initial = 'b'   

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))	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))	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))	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))	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))	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))	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
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))	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))	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))	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))	BDBM240636 (US9409882, 41) Show SMILES Fc1ccccc1S(=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/C24H21F2IN4O4S/c25-16-3-1-2-4-19(16)36(34,35)15-10-18(21(32)30-23(13-28)5-6-23)31(12-15)22(33)24(7-8-24)20-17(26)9-14(27)11-29-20/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	0.600	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 US9409882 (2016) BindingDB Entry DOI: 10.7270/Q2B56HNF
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM240606 (US9409882, 11) Show SMILES Fc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cc1F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H21Cl2F2N3O4S/c26-14-1-3-17(19(29)9-14)25(7-8-25)23(34)32-12-16(11-20(32)22(33)31-24(13-30)5-6-24)37(35,36)21-4-2-15(28)10-18(21)27/h1-4,9-10,16,20H,5-8,11-12H2,(H,31,33)/t16-,20+/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	0.602	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))	BDBM240596 (US9409882, 1) Show SMILES COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H24Cl2N4O5S/c1-36-16-3-4-20(18(27)10-16)37(34,35)17-11-19(22(32)30-24(14-28)6-7-24)31(13-17)23(33)25(8-9-25)21-5-2-15(26)12-29-21/h2-5,10,12,17,19H,6-9,11,13H2,1H3,(H,30,32)/t17-,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	0.606	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))	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	0.613	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))	BDBM240624 (US9409882, 29) Show SMILES FC(F)(F)c1ccc(Cl)c(c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H21Cl2F3N4O4S/c26-15-2-4-20(32-11-15)24(7-8-24)22(36)34-12-16(10-18(34)21(35)33-23(13-31)5-6-23)39(37,38)19-9-14(25(28,29)30)1-3-17(19)27/h1-4,9,11,16,18H,5-8,10,12H2,(H,33,35)/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	0.618	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))	BDBM240601 (US9409882, 6) Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1Cl |r| Show InChI InChI=1S/C26H22Cl2F4N4O5S/c27-14-7-18(29)21(34-10-14)25(5-6-25)23(38)36-11-16(9-19(36)22(37)35-24(12-33)3-4-24)42(39,40)20-2-1-15(8-17(20)28)41-13-26(30,31)32/h1-2,7-8,10,16,19H,3-6,9,11,13H2,(H,35,37)/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	0.675	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))	BDBM240633 (US9409882, 38) Show SMILES Cn1cc(cn1)-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/C28H25ClFIN6O4S/c1-36-13-17(11-34-36)16-2-3-23(20(29)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(30)9-18(31)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	0.678	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))	BDBM240627 (US9409882, 32) Show SMILES Fc1cc(Cl)cnc1C1(CC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(cc1Cl)-c1ccnc(Cl)c1 |r| Show InChI InChI=1S/C29H23Cl3FN5O4S/c30-18-11-21(33)25(36-13-18)29(6-7-29)27(40)38-14-19(12-22(38)26(39)37-28(15-34)4-5-28)43(41,42)23-2-1-16(9-20(23)31)17-3-8-35-24(32)10-17/h1-3,8-11,13,19,22H,4-7,12,14H2,(H,37,39)/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	0.686	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))	BDBM130408 (US8822505, 8) Show SMILES FC(F)CN1CC(C1)(C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1Cl)c1ccc(Cl)cn1 |r| Show InChI InChI=1S/C28H26Cl2F5N5O5S/c29-16-1-4-22(37-9-16)27(13-39(14-27)11-23(31)32)25(42)40-10-18(8-20(40)24(41)38-26(12-36)5-6-26)46(43,44)21-3-2-17(7-19(21)30)45-15-28(33,34)35/h1-4,7,9,18,20,23H,5-6,8,10-11,13-15H2,(H,38,41)/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	0.694	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))	BDBM240634 (US9409882, 39) Show SMILES Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(cc1F)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C29H25ClF4N6O4S/c1-39-13-17(11-37-39)16-2-3-23(20(30)8-16)45(43,44)19-10-22(25(41)38-27(15-35)4-5-27)40(14-19)26(42)28(6-7-28)24-21(31)9-18(12-36-24)29(32,33)34/h2-3,8-9,11-13,19,22H,4-7,10,14H2,1H3,(H,38,41)/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	0.696	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))	BDBM240637 (US9409882, 42) Show SMILES Fc1ccccc1S(=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/C24H21ClF2N4O4S/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	0.700	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))	BDBM240635 (US9409882, 40) Show SMILES Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1Cl)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C28H25Cl3N6O4S/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	0.703	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))	BDBM130415 (US8822505, 15) Show SMILES CCN1CC(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/C26H26BrClFN5O4S/c1-2-33-14-26(15-33,22-19(29)9-16(27)11-31-22)24(36)34-12-17(39(37,38)21-6-4-3-5-18(21)28)10-20(34)23(35)32-25(13-30)7-8-25/h3-6,9,11,17,20H,2,7-8,10,12,14-15H2,1H3,(H,32,35)/t17-,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	0.721	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))	BDBM240602 (US9409882, 7) Show SMILES COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H23BrClFN4O5S/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	0.734	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 US9409882 (2016) BindingDB Entry DOI: 10.7270/Q2B56HNF
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM240630 (US9409882, 35) Show SMILES Cc1ncccc1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(cc1F)C(F)(F)F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C31H26ClF4N5O4S/c1-17-21(3-2-10-38-17)18-4-5-25(22(32)11-18)46(44,45)20-13-24(27(42)40-29(16-37)6-7-29)41(15-20)28(43)30(8-9-30)26-23(33)12-19(14-39-26)31(34,35)36/h2-5,10-12,14,20,24H,6-9,13,15H2,1H3,(H,40,42)/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	0.768	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))	BDBM240608 (US9409882, 13) Show SMILES Fc1ccc(cc1)-c1cccc(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/C30H25ClF2N4O4S/c31-20-13-24(33)26(35-15-20)30(10-11-30)28(39)37-16-23(14-25(37)27(38)36-29(17-34)8-9-29)42(40,41)22-3-1-2-19(12-22)18-4-6-21(32)7-5-18/h1-7,12-13,15,23,25H,8-11,14,16H2,(H,36,38)/t23-,25+/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	0.770	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))	BDBM130409 (US8822505, 9) Show SMILES FC(F)CN1CC(C1)(C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1Cl)c1ccc(Br)cn1 |r| Show InChI InChI=1S/C28H26BrClF5N5O5S/c29-16-1-4-22(37-9-16)27(13-39(14-27)11-23(31)32)25(42)40-10-18(8-20(40)24(41)38-26(12-36)5-6-26)46(43,44)21-3-2-17(7-19(21)30)45-15-28(33,34)35/h1-4,7,9,18,20,23H,5-6,8,10-11,13-15H2,(H,38,41)/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	0.779	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))	BDBM240632 (US9409882, 37) Show SMILES Cc1ncccc1-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1Cl)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C30H26Cl3N5O4S/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	0.779	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 US9409882 (2016) BindingDB Entry DOI: 10.7270/Q2B56HNF
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM130445 (US8822505, 47) Show SMILES Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C28H26Cl2FN7O4S/c1-37-13-17(11-35-37)16-2-3-23(20(30)8-16)43(41,42)19-10-22(25(39)36-27(15-32)4-5-27)38(14-19)26(40)28(6-7-34-28)24-21(31)9-18(29)12-33-24/h2-3,8-9,11-13,19,22,34H,4-7,10,14H2,1H3,(H,36,39)/t19-,22+,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	0.791	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))	BDBM240598 (US9409882, 3) Show SMILES FC(F)(F)COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C26H23Cl2F3N4O5S/c27-15-1-4-21(33-11-15)25(7-8-25)23(37)35-12-17(10-19(35)22(36)34-24(13-32)5-6-24)41(38,39)20-3-2-16(9-18(20)28)40-14-26(29,30)31/h1-4,9,11,17,19H,5-8,10,12,14H2,(H,34,36)/t17-,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	0.825	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))	BDBM130448 (US8822505, 50) Show SMILES C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CN(C1)C=O)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C28H25BrClF4N5O6S/c1-15(28(32,33)34)45-17-2-3-22(19(30)7-17)46(43,44)18-8-21(24(41)37-26(11-35)4-5-26)39(10-18)25(42)27(12-38(13-27)14-40)23-20(31)6-16(29)9-36-23/h2-3,6-7,9,14-15,18,21H,4-5,8,10,12-13H2,1H3,(H,37,41)/t15-,18+,21-/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	0.900	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))	BDBM130443 (US8822505, 45) Show SMILES Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1C(=O)OC(C)(C)C)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C33H34Cl2FN7O6S/c1-31(2,3)49-30(46)43-10-9-33(43,27-24(36)12-21(34)15-38-27)29(45)42-17-22(13-25(42)28(44)40-32(18-37)7-8-32)50(47,48)26-6-5-19(11-23(26)35)20-14-39-41(4)16-20/h5-6,11-12,14-16,22,25H,7-10,13,17H2,1-4H3,(H,40,44)/t22-,25+,33?/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	0.965	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))	BDBM130447 (US8822505, 49) Show SMILES C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CN(CC(F)F)C1)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C29H27BrClF6N5O5S/c1-15(29(35,36)37)47-17-2-3-22(19(31)7-17)48(45,46)18-8-21(25(43)40-27(12-38)4-5-27)42(10-18)26(44)28(13-41(14-28)11-23(33)34)24-20(32)6-16(30)9-39-24/h2-3,6-7,9,15,18,21,23H,4-5,8,10-11,13-14H2,1H3,(H,40,43)/t15-,18+,21-/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	1	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))	BDBM130450 (US8822505, 52) Show SMILES C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CN(CC(F)(F)F)C1)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C29H26BrClF7N5O5S/c1-15(29(36,37)38)48-17-2-3-22(19(31)7-17)49(46,47)18-8-21(24(44)41-26(11-39)4-5-26)43(10-18)25(45)27(12-42(13-27)14-28(33,34)35)23-20(32)6-16(30)9-40-23/h2-3,6-7,9,15,18,21H,4-5,8,10,12-14H2,1H3,(H,41,44)/t15-,18+,21-/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	1	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))	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	1.04	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))	BDBM130412 (US8822505, 12) Show SMILES Fc1cc(Cl)cnc1C1(CNC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C24H22Cl2FN5O4S/c25-14-7-17(27)20(30-9-14)24(12-29-13-24)22(34)32-10-15(37(35,36)19-4-2-1-3-16(19)26)8-18(32)21(33)31-23(11-28)5-6-23/h1-4,7,9,15,18,29H,5-6,8,10,12-13H2,(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 Similars	US Patent	n/a	n/a	1.07	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))	BDBM130425 (US8822505, 27 | US8822505, 28) Show SMILES C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1C(=O)OC(C)(C)C)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C32H33Cl2F4N5O7S/c1-17(32(36,37)38)49-19-5-6-24(21(34)12-19)51(47,48)20-13-23(26(44)41-30(16-39)7-8-30)42(15-20)27(45)31(25-22(35)11-18(33)14-40-25)9-10-43(31)28(46)50-29(2,3)4/h5-6,11-12,14,17,20,23H,7-10,13,15H2,1-4H3,(H,41,44)/t17-,20+,23-,31?/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	1.08	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))	BDBM130413 (US8822505, 13) Show SMILES Fc1cc(Br)cnc1C1(CNC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C24H22BrClFN5O4S/c25-14-7-17(27)20(30-9-14)24(12-29-13-24)22(34)32-10-15(37(35,36)19-4-2-1-3-16(19)26)8-18(32)21(33)31-23(11-28)5-6-23/h1-4,7,9,15,18,29H,5-6,8,10,12-13H2,(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 Similars	US Patent	n/a	n/a	1.09	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))	BDBM130444 (US8822505, 46) Show SMILES Cn1cc(cn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1C(=O)OC(C)(C)C)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C33H34BrClFN7O6S/c1-31(2,3)49-30(46)43-10-9-33(43,27-24(36)12-21(34)15-38-27)29(45)42-17-22(13-25(42)28(44)40-32(18-37)7-8-32)50(47,48)26-6-5-19(11-23(26)35)20-14-39-41(4)16-20/h5-6,11-12,14-16,22,25H,7-10,13,17H2,1-4H3,(H,40,44)/t22-,25+,33?/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
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))	BDBM130403 (US8822505, 3) Show SMILES COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CN(C)C1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C26H27Cl2N5O5S/c1-32-14-26(15-32,22-6-3-16(27)11-30-22)24(35)33-12-18(10-20(33)23(34)31-25(13-29)7-8-25)39(36,37)21-5-4-17(38-2)9-19(21)28/h3-6,9,11,18,20H,7-8,10,12,14-15H2,1-2H3,(H,31,34)/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	1.20	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))	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	1.26	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))	BDBM130410 (US8822505, 10) Show SMILES CC(C)(C)OC(=O)N1CC(C1)(C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl)c1ncc(Cl)cc1F |r| Show InChI InChI=1S/C29H30Cl2FN5O6S/c1-27(2,3)43-26(40)36-15-29(16-36,23-20(32)10-17(30)12-34-23)25(39)37-13-18(44(41,42)22-7-5-4-6-19(22)31)11-21(37)24(38)35-28(14-33)8-9-28/h4-7,10,12,18,21H,8-9,11,13,15-16H2,1-3H3,(H,35,38)/t18-,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	1.26	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))	BDBM130411 (US8822505, 11) Show SMILES CC(C)(C)OC(=O)N1CC(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/C29H30BrClFN5O6S/c1-27(2,3)43-26(40)36-15-29(16-36,23-20(32)10-17(30)12-34-23)25(39)37-13-18(44(41,42)22-7-5-4-6-19(22)31)11-21(37)24(38)35-28(14-33)8-9-28/h4-7,10,12,18,21H,8-9,11,13,15-16H2,1-3H3,(H,35,38)/t18-,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	1.27	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))	BDBM130429 (US8822505, 31 | US8822505, 35) Show SMILES Fc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H21Cl2F2N5O4S/c25-13-7-17(28)20(30-10-13)24(5-6-31-24)22(35)33-11-15(9-18(33)21(34)32-23(12-29)3-4-23)38(36,37)19-2-1-14(27)8-16(19)26/h1-2,7-8,10,15,18,31H,3-6,9,11H2,(H,32,34)/t15-,18+,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	1.30	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))	BDBM130430 (US8822505, 32 | US8822505, 36) Show SMILES Fc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1)c1ncc(Br)cc1F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H21BrClF2N5O4S/c25-13-7-17(28)20(30-10-13)24(5-6-31-24)22(35)33-11-15(9-18(33)21(34)32-23(12-29)3-4-23)38(36,37)19-2-1-14(27)8-16(19)26/h1-2,7-8,10,15,18,31H,3-6,9,11H2,(H,32,34)/t15-,18+,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	1.42	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))	BDBM130402 (US8822505, 2) Show SMILES COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CNC1)c1ccc(Cl)cn1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H25Cl2N5O5S/c1-37-16-3-4-20(18(27)8-16)38(35,36)17-9-19(22(33)31-24(12-28)6-7-24)32(11-17)23(34)25(13-29-14-25)21-5-2-15(26)10-30-21/h2-5,8,10,17,19,29H,6-7,9,11,13-14H2,1H3,(H,31,33)/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	1.49	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))	BDBM130439 (US8822505, 41) Show SMILES Cc1cc(ccn1)-c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CCN1C(=O)OC(C)(C)C)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C35H35Cl2FN6O6S/c1-20-13-22(7-11-40-20)21-5-6-28(25(37)14-21)51(48,49)24-16-27(30(45)42-34(19-39)8-9-34)43(18-24)31(46)35(29-26(38)15-23(36)17-41-29)10-12-44(35)32(47)50-33(2,3)4/h5-7,11,13-15,17,24,27H,8-10,12,16,18H2,1-4H3,(H,42,45)/t24-,27+,35?/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	1.55	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

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