Compile Data Set for Download or QSAR

Found 62 hits of ic50 data for polymerid = 9613   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin S (Mus musculus (Mouse))	BDBM50444314 (CHEMBL3093935) Show SMILES Clc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1CCCCC1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C22H26ClN3O4S/c23-17-8-4-5-9-19(17)31(29,30)16-12-18(20(27)25-22(14-24)10-11-22)26(13-16)21(28)15-6-2-1-3-7-15/h4-5,8-9,15-16,18H,1-3,6-7,10-13H2,(H,25,27)/t16-,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pharma Research and Early Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin-S using Z-Val-Val-Arg-AMC as substrate up to 20 mins by fluorescence assay				J Med Chem 56: 9789-801 (2014) Article DOI: 10.1021/jm401528k BindingDB Entry DOI: 10.7270/Q2N58NTW
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225125 (US9328118, 26) Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1 Show InChI InChI=1S/C23H25F3N6O/c1-3-32-9-6-15(7-10-32)8-11-33-18-5-4-16(12-17(18)23(24,25)26)20-21-22(31(2)14-28-21)30-19(13-27)29-20/h4-5,12,14-15H,3,6-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225138 (US9328118, 39) Show SMILES CCN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1 Show InChI InChI=1S/C22H24F3N7O/c1-3-32-7-4-14(5-8-32)6-9-33-21-16(22(23,24)25)10-15(12-27-21)18-19-20(31(2)13-28-19)30-17(11-26)29-18/h10,12-14H,3-9H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225225 (US9328118, 158) Show SMILES CN1CCC[C@@H]1C(=O)N1CC[C@H](C1)OCCOc1ncc(cc1C(F)(F)F)-c1nc(nc2n(C)ccc12)C#N |r| Show InChI InChI=1S/C26H28F3N7O3/c1-34-7-3-4-20(34)25(37)36-9-5-17(15-36)38-10-11-39-24-19(26(27,28)29)12-16(14-31-24)22-18-6-8-35(2)23(18)33-21(13-30)32-22/h6,8,12,14,17,20H,3-5,7,9-11,15H2,1-2H3/t17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225209 (US9328118, 141) Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1cnc(OCCC2CCN(CC2)C2CCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C24H26F3N7O/c1-33-14-30-21-20(31-19(12-28)32-22(21)33)16-11-18(24(25,26)27)23(29-13-16)35-10-7-15-5-8-34(9-6-15)17-3-2-4-17/h11,13-15,17H,2-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225128 (US9328118, 29) Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1 |r| Show InChI InChI=1S/C27H30F3N7O2/c1-35-10-3-4-20(35)26(38)37-11-7-17(8-12-37)9-13-39-21-6-5-18(14-19(21)27(28,29)30)23-24-25(36(2)16-32-24)34-22(15-31)33-23/h5-6,14,16-17,20H,3-4,7-13H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225109 (US9328118, 6) Show SMILES CN1CCC[C@@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1 |r| Show InChI InChI=1S/C27H30F3N7O2/c1-35-10-3-4-20(35)26(38)37-11-7-17(8-12-37)9-13-39-21-6-5-18(14-19(21)27(28,29)30)23-24-25(36(2)16-32-24)34-22(15-31)33-23/h5-6,14,16-17,20H,3-4,7-13H2,1-2H3/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225119 (US9328118, 19) Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C21H21F3N6O/c1-30-12-27-19-18(28-17(11-25)29-20(19)30)14-2-3-16(15(10-14)21(22,23)24)31-9-6-13-4-7-26-8-5-13/h2-3,10,12-13,26H,4-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225156 (US9328118, 72) Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1 Show InChI InChI=1S/C24H28F3N8O2/c1-32(2)21(36)14-34-9-6-16(7-10-34)8-11-37-19-5-4-17(12-18(19)24(25,26)27)35-22-23(33(3)15-29-22)30-20(13-28)31-35/h4-5,12,15-16H,6-11,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225154 (US9328118, 70) Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)cnc23)C#N)CC1 Show InChI InChI=1S/C27H31F3N6O2/c1-2-35-9-5-18(6-10-35)8-12-38-22-4-3-20(13-21(22)27(28,29)30)24-25-26(34-23(14-31)33-24)36(17-32-25)15-19-7-11-37-16-19/h3-4,13,17-19H,2,5-12,15-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225123 (US9328118, 24) Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCN(CCO)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C23H25F3N6O2/c1-31-14-28-21-20(29-19(13-27)30-22(21)31)16-2-3-18(17(12-16)23(24,25)26)34-11-6-15-4-7-32(8-5-15)9-10-33/h2-3,12,14-15,33H,4-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225127 (US9328118, 28) Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1cnc(OCCC2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H20F3N7O/c1-30-11-27-17-16(28-15(9-24)29-18(17)30)13-8-14(20(21,22)23)19(26-10-13)31-7-4-12-2-5-25-6-3-12/h8,10-12,25H,2-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225139 (US9328118, 40) Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1 |r| Show InChI InChI=1S/C26H29F3N8O2/c1-35-8-3-4-19(35)25(38)37-9-5-16(6-10-37)7-11-39-24-18(26(27,28)29)12-17(14-31-24)21-22-23(36(2)15-32-22)34-20(13-30)33-21/h12,14-16,19H,3-11H2,1-2H3/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225202 (US9328118, 122) Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCN(CC(=O)N3CC[C@H](F)C3)CC2)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H29F4N7O2/c1-36-16-33-25-24(34-22(13-32)35-26(25)36)18-2-3-21(20(12-18)27(29,30)31)40-11-7-17-4-8-37(9-5-17)15-23(39)38-10-6-19(28)14-38/h2-3,12,16-17,19H,4-11,14-15H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225203 (US9328118, 135) Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1cnc(OCC2CCN(CC2)C(=O)C2CCN(CC(C)(C)O)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C30H36F3N7O3/c1-29(2,42)18-39-10-6-20(7-11-39)28(41)40-12-4-19(5-13-40)17-43-27-23(30(31,32)33)14-21(16-35-27)25-22-8-9-38(3)26(22)37-24(15-34)36-25/h8-9,14,16,19-20,42H,4-7,10-13,17-18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225185 (US9328118, 105) Show SMILES CN1CCC[C@H]1C(=O)N1CCC(COc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1 |r| Show InChI InChI=1S/C31H35F3N6O3/c1-38-10-2-3-25(38)30(41)39-11-6-20(7-12-39)19-43-26-5-4-22(15-24(26)31(32,33)34)28-23-8-13-40(17-21-9-14-42-18-21)29(23)37-27(16-35)36-28/h4-5,8,13,15,20-21,25H,2-3,6-7,9-12,14,17-19H2,1H3/t21?,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225190 (US9328118, 110) Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CCO)ccc23)C#N)CC1 Show InChI InChI=1S/C25H28F3N5O2/c1-2-32-9-5-17(6-10-32)8-14-35-21-4-3-18(15-20(21)25(26,27)28)23-19-7-11-33(12-13-34)24(19)31-22(16-29)30-23/h3-4,7,11,15,17,34H,2,5-6,8-10,12-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225148 (US9328118, 54) Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1 Show InChI InChI=1S/C28H32F3N5O2/c1-2-35-10-5-19(6-11-35)9-14-38-24-4-3-21(15-23(24)28(29,30)31)26-22-7-12-36(17-20-8-13-37-18-20)27(22)34-25(16-32)33-26/h3-4,7,12,15,19-20H,2,5-6,8-11,13-14,17-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225129 (US9328118, 30) Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1 |r| Show InChI InChI=1S/C32H37F3N6O3/c1-39-11-2-3-26(39)31(42)40-12-6-21(7-13-40)10-16-44-27-5-4-23(17-25(27)32(33,34)35)29-24-8-14-41(19-22-9-15-43-20-22)30(24)38-28(18-36)37-29/h4-5,8,14,17,21-22,26H,2-3,6-7,9-13,15-16,19-20H2,1H3/t22?,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225121 (US9328118, 21) Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CCO)ccc23)C#N)CC1 Show InChI InChI=1S/C27H31F3N6O3/c1-34(2)24(38)17-35-9-5-18(6-10-35)8-14-39-22-4-3-19(15-21(22)27(28,29)30)25-20-7-11-36(12-13-37)26(20)33-23(16-31)32-25/h3-4,7,11,15,18,37H,5-6,8-10,12-14,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM50444318 (CHEMBL3093940) Show SMILES O=C(NCC#N)[C@@H]1C[C@H](C[C@H]1C(=O)N1CCOCC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H23N3O5S/c20-6-7-21-18(23)16-12-15(28(25,26)14-4-2-1-3-5-14)13-17(16)19(24)22-8-10-27-11-9-22/h1-5,15-17H,7-13H2,(H,21,23)/t15-,16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pharma Research and Early Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin-S using Z-Val-Val-Arg-AMC as substrate up to 20 mins by fluorescence assay				J Med Chem 56: 9789-801 (2014) Article DOI: 10.1021/jm401528k BindingDB Entry DOI: 10.7270/Q2N58NTW
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM50444315 (CHEMBL3093934) Show SMILES Clc1ccccc1S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)c1ccccc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C22H20ClN3O4S/c23-17-8-4-5-9-19(17)31(29,30)16-12-18(20(27)25-22(14-24)10-11-22)26(13-16)21(28)15-6-2-1-3-7-15/h1-9,16,18H,10-13H2,(H,25,27)/t16-,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pharma Research and Early Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin-S using Z-Val-Val-Arg-AMC as substrate up to 20 mins by fluorescence assay				J Med Chem 56: 9789-801 (2014) Article DOI: 10.1021/jm401528k BindingDB Entry DOI: 10.7270/Q2N58NTW
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225200 (US9328118, 120) Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCN(CC(=O)N3CCC(CC3)C#N)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C29H31F3N8O2/c1-38-18-35-27-26(36-24(16-34)37-28(27)38)21-2-3-23(22(14-21)29(30,31)32)42-13-8-19-4-9-39(10-5-19)17-25(41)40-11-6-20(15-33)7-12-40/h2-3,14,18-20H,4-13,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225107 (US9328118, 3) Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)CC1 Show InChI InChI=1S/C26H29F3N6O2/c1-33(2)23(36)16-35-11-6-17(7-12-35)9-13-37-21-5-4-18(14-20(21)26(27,28)29)24-19-8-10-34(3)25(19)32-22(15-30)31-24/h4-5,8,10,14,17H,6-7,9,11-13,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225140 (US9328118, 41) Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)CC1 |r| Show InChI InChI=1S/C27H30F3N7O2/c1-35-9-3-4-21(35)26(38)37-11-5-17(6-12-37)8-13-39-25-20(27(28,29)30)14-18(16-32-25)23-19-7-10-36(2)24(19)34-22(15-31)33-23/h7,10,14,16-17,21H,3-6,8-9,11-13H2,1-2H3/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225106 (US9328118, 2) Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C22H22F3N5O/c1-30-10-6-16-20(28-19(13-26)29-21(16)30)15-2-3-18(17(12-15)22(23,24)25)31-11-7-14-4-8-27-9-5-14/h2-3,6,10,12,14,27H,4-5,7-9,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225126 (US9328118, 27) Show SMILES CCN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)ccc23)C#N)CC1 Show InChI InChI=1S/C23H25F3N6O/c1-3-32-9-4-15(5-10-32)7-11-33-22-18(23(24,25)26)12-16(14-28-22)20-17-6-8-31(2)21(17)30-19(13-27)29-20/h6,8,12,14-15H,3-5,7,9-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225155 (US9328118, 71) Show SMILES CCN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)cnc23)C#N)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-2-35-7-3-17(4-8-35)6-10-38-25-20(26(27,28)29)11-19(13-31-25)22-23-24(34-21(12-30)33-22)36(16-32-23)14-18-5-9-37-15-18/h11,13,16-18H,2-10,14-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225161 (US9328118, 77) Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)cnc23)C#N)CC1 |r| Show InChI InChI=1S/C31H36F3N7O3/c1-39-10-2-3-24(39)30(42)40-11-6-20(7-12-40)9-14-44-25-5-4-22(15-23(25)31(32,33)34)27-28-29(38-26(16-35)37-27)41(19-36-28)17-21-8-13-43-18-21/h4-5,15,19-21,24H,2-3,6-14,17-18H2,1H3/t21?,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM50336041 (1-methyl-6-(4-(2-(1-(oxazol-2-ylmethyl)piperidin-4...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(Cc3ncco3)CC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C26H25F3N6O2/c1-34-16-32-25-21(14-30)33-20(13-22(25)34)18-2-3-23(19(12-18)26(27,28)29)36-10-6-17-4-8-35(9-5-17)15-24-31-7-11-37-24/h2-3,7,11-13,16-17H,4-6,8-10,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin S				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM50030823 (CHEMBL3342553) Show SMILES CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c1ccc(F)cc1)N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C25H29FN4O5/c1-27-25(32)35-22-15-34-21-7-6-18(29-8-10-30(11-9-29)19-13-33-14-19)12-20(21)23(22)28-24(31)16-2-4-17(26)5-3-16/h2-7,12,19,22-23H,8-11,13-15H2,1H3,(H,27,32)(H,28,31)/t22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin S using benzyloxycarbonyl-L-Leucyl-L-Arginine 4-Methyl-coumaryl-7-amide substrate by FRET assay				ACS Med Chem Lett 5: 1138-42 (2014) Article DOI: 10.1021/ml500283g BindingDB Entry DOI: 10.7270/Q2765GXN
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225196 (US9328118, 116) Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1cnc(OCCC2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C21H21F3N6O/c1-30-8-4-15-18(28-17(11-25)29-19(15)30)14-10-16(21(22,23)24)20(27-12-14)31-9-5-13-2-6-26-7-3-13/h4,8,10,12-13,26H,2-3,5-7,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225147 (US9328118, 52) Show SMILES CCN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1 Show InChI InChI=1S/C27H31F3N6O2/c1-2-35-8-3-18(4-9-35)7-12-38-26-22(27(28,29)30)13-20(15-32-26)24-21-5-10-36(16-19-6-11-37-17-19)25(21)34-23(14-31)33-24/h5,10,13,15,18-19H,2-4,6-9,11-12,16-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225150 (US9328118, 58) Show SMILES FC(F)(F)c1cc(ccc1OCCC1CCNCC1)-c1nc(nc2n(CC3CCCO3)ccc12)C#N Show InChI InChI=1S/C26H28F3N5O2/c27-26(28,29)21-14-18(3-4-22(21)36-13-8-17-5-9-31-10-6-17)24-20-7-11-34(16-19-2-1-12-35-19)25(20)33-23(15-30)32-24/h3-4,7,11,14,17,19,31H,1-2,5-6,8-10,12-13,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM50444313 (CHEMBL3093936) Show SMILES CC(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C#N)S(=O)(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C17H18ClN3O4S/c1-11(22)21-9-12(26(24,25)15-5-3-2-4-13(15)18)8-14(21)16(23)20-17(10-19)6-7-17/h2-5,12,14H,6-9H2,1H3,(H,20,23)/t12-,14+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pharma Research and Early Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin-S using Z-Val-Val-Arg-AMC as substrate up to 20 mins by fluorescence assay				J Med Chem 56: 9789-801 (2014) Article DOI: 10.1021/jm401528k BindingDB Entry DOI: 10.7270/Q2N58NTW
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225144 (US9328118, 47) Show SMILES CN1CCC(CC1)NC(=O)Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCCC2CCOCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C29H33F3N6O3/c1-37-10-4-21(5-11-37)34-26(39)18-38-12-6-22-27(35-25(17-33)36-28(22)38)20-2-3-24(23(16-20)29(30,31)32)41-15-9-19-7-13-40-14-8-19/h2-3,6,12,16,19,21H,4-5,7-11,13-15,18H2,1H3,(H,34,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225152 (US9328118, 66) Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1 Show InChI InChI=1S/C30H35F3N6O3/c1-37(2)27(40)18-38-10-5-20(6-11-38)9-14-42-25-4-3-22(15-24(25)30(31,32)33)28-23-7-12-39(17-21-8-13-41-19-21)29(23)36-26(16-34)35-28/h3-4,7,12,15,20-21H,5-6,8-11,13-14,17-19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225117 (US9328118, 15) Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCCO4)ccc23)C#N)CC1 |r| Show InChI InChI=1S/C32H37F3N6O3/c1-39-12-2-5-26(39)31(42)40-13-8-21(9-14-40)11-17-44-27-7-6-22(18-25(27)32(33,34)35)29-24-10-15-41(20-23-4-3-16-43-23)30(24)38-28(19-36)37-29/h6-7,10,15,18,21,23,26H,2-5,8-9,11-14,16-17,20H2,1H3/t23?,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225171 (US9328118, 88) Show SMILES CCN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCCO4)ccc23)C#N)CC1 Show InChI InChI=1S/C28H32F3N5O2/c1-2-35-11-7-19(8-12-35)10-15-38-24-6-5-20(16-23(24)28(29,30)31)26-22-9-13-36(18-21-4-3-14-37-21)27(22)34-25(17-32)33-26/h5-6,9,13,16,19,21H,2-4,7-8,10-12,14-15,18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM50323257 (1-methyl-6-(4-(pyridin-2-ylmethoxy)-3-(trifluorome...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCc2ccccn2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H14F3N5O/c1-29-12-27-20-17(10-25)28-16(9-18(20)29)13-5-6-19(15(8-13)21(22,23)24)30-11-14-4-2-3-7-26-14/h2-9,12H,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin S by fluorescence assay				Bioorg Med Chem Lett 20: 4350-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225163 (US9328118, 79) Show SMILES CN1CCC[C@H]1C(=O)N1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)cnc23)C#N)CC1 |r| Show InChI InChI=1S/C30H35F3N8O3/c1-39-8-2-3-23(39)29(42)40-9-4-19(5-10-40)7-12-44-28-22(30(31,32)33)13-21(15-35-28)25-26-27(38-24(14-34)37-25)41(18-36-26)16-20-6-11-43-17-20/h13,15,18-20,23H,2-12,16-17H2,1H3/t20?,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM50323244 (6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluo...) Show SMILES CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H27F3N6O/c1-3-32-8-10-33(11-9-32)7-4-12-34-22-6-5-17(13-18(22)24(25,26)27)19-14-21-23(20(15-28)30-19)29-16-31(21)2/h5-6,13-14,16H,3-4,7-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin S by fluorescence assay				Bioorg Med Chem Lett 20: 4350-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM50323247 (6-(4-(3-(dimethylamino)propoxy)-3-(trifluoromethyl...) Show SMILES CN(C)CCCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N Show InChI InChI=1S/C20H20F3N5O/c1-27(2)7-4-8-29-18-6-5-13(9-14(18)20(21,22)23)15-10-17-19(16(11-24)26-15)25-12-28(17)3/h5-6,9-10,12H,4,7-8H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin S by fluorescence assay				Bioorg Med Chem Lett 20: 4350-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225122 (US9328118, 23) Show SMILES FC(F)(F)c1cc(ccc1OCCC1CCNCC1)-c1nc(nc2n(CC3CCOC3)ccc12)C#N Show InChI InChI=1S/C26H28F3N5O2/c27-26(28,29)21-13-19(1-2-22(21)36-12-7-17-3-8-31-9-4-17)24-20-5-10-34(15-18-6-11-35-16-18)25(20)33-23(14-30)32-24/h1-2,5,10,13,17-18,31H,3-4,6-9,11-12,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM225186 (US9328118, 106) Show SMILES CCN1CCC(COc2ccc(cc2C(F)(F)F)-c2nc(nc3n(CC4CCOC4)ccc23)C#N)CC1 Show InChI InChI=1S/C27H30F3N5O2/c1-2-34-9-5-18(6-10-34)17-37-23-4-3-20(13-22(23)27(28,29)30)25-21-7-11-35(15-19-8-12-36-16-19)26(21)33-24(14-31)32-25/h3-4,7,11,13,18-19H,2,5-6,8-10,12,15-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO s...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM50030822 (CHEMBL3342554) Show SMILES CNC(=O)O[C@H]1CCc2ccc(cc2[C@@H]1NC(=O)c1ccc(F)cc1)N1CCN(CC1)C1COC1 |r| Show InChI InChI=1S/C26H31FN4O4/c1-28-26(33)35-23-9-5-17-4-8-20(30-10-12-31(13-11-30)21-15-34-16-21)14-22(17)24(23)29-25(32)18-2-6-19(27)7-3-18/h2-4,6-8,14,21,23-24H,5,9-13,15-16H2,1H3,(H,28,33)(H,29,32)/t23-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin S using benzyloxycarbonyl-L-Leucyl-L-Arginine 4-Methyl-coumaryl-7-amide substrate by FRET assay				ACS Med Chem Lett 5: 1138-42 (2014) Article DOI: 10.1021/ml500283g BindingDB Entry DOI: 10.7270/Q2765GXN
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM50444317 (CHEMBL3093932) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)[C@H]1CN[C@@H](C1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C16H16F3N3O3S/c17-16(18,19)11-3-1-2-4-13(11)26(24,25)10-7-12(21-8-10)14(23)22-15(9-20)5-6-15/h1-4,10,12,21H,5-8H2,(H,22,23)/t10-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pharma Research and Early Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin-S using Z-Val-Val-Arg-AMC as substrate up to 20 mins by fluorescence assay				J Med Chem 56: 9789-801 (2014) Article DOI: 10.1021/jm401528k BindingDB Entry DOI: 10.7270/Q2N58NTW
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM50323244 (6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluo...) Show SMILES CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H27F3N6O/c1-3-32-8-10-33(11-9-32)7-4-12-34-22-6-5-17(13-18(22)24(25,26)27)19-14-21-23(20(15-28)30-19)29-16-31(21)2/h5-6,13-14,16H,3-4,7-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin S-mediated proteolytic cleavage of MHC2 associated invariant chain in mouse splenocytes assessed as accumulation of lip10 by ...				Bioorg Med Chem Lett 20: 4350-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C28H34N6O2/c1-21(35)32-13-15-33(16-14-32)24-7-9-26(10-8-24)36-20-25-17-23-19-30-27(18-29)31-28(23)34(25)12-11-22-5-3-2-4-6-22/h7-10,17,19,22H,2-6,11-16,20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM19859 ((2S)-N-(cyanomethyl)-3-cyclohexyl-2-(phenylformami...) Show SMILES O=C(NCC#N)[C@H](CC1CCCCC1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C18H23N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h2,5-6,9-10,14,16H,1,3-4,7-8,12-13H2,(H,20,23)(H,21,22)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	40	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 48: 7535-43 (2005) Article DOI: 10.1021/jm0504961 BindingDB Entry DOI: 10.7270/Q28S4N63
					More data for this Ligand-Target Pair

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