Compile Data Set for Download or QSAR

Found 225 hits with Last Name = 'sato' and Initial = 'j'   

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 (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))	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))	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 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				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))	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))	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))	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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50046030 (CHEMBL3310126) Show SMILES Fc1ccc(cc1)-c1n[nH]c(CCCc2ccccc2)c1-c1ccncc1 Show InChI InChI=1S/C23H20FN3/c24-20-11-9-19(10-12-20)23-22(18-13-15-25-16-14-18)21(26-27-23)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16H,4,7-8H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of full length human p38alpha MAP kinase by Off-chip mobility shift assay				Bioorg Med Chem 22: 4162-76 (2014) Article DOI: 10.1016/j.bmc.2014.05.045 BindingDB Entry DOI: 10.7270/Q2C82BXS
					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 (Homo sapiens (Human))	BDBM225213 (US9328118, 145) Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1cnc(OCCC2CCN(CC2)C(CF)CF)c(c1)C(F)(F)F Show InChI InChI=1S/C23H24F5N7O/c1-34-13-31-20-19(32-18(11-29)33-21(20)34)15-8-17(23(26,27)28)22(30-12-15)36-7-4-14-2-5-35(6-3-14)16(9-24)10-25/h8,12-14,16H,2-7,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM225205 (US9328118, 137) 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-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					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))	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))	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 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				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))	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))	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 (Homo sapiens (Human))	BDBM225168 (US9328118, 84) Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCCC2CCNC2)c(c1)C(F)(F)F Show InChI InChI=1S/C21H20F3N5O/c1-29-8-5-15-19(27-18(11-25)28-20(15)29)14-2-3-17(16(10-14)21(22,23)24)30-9-6-13-4-7-26-12-13/h2-3,5,8,10,13,26H,4,6-7,9,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM225210 (US9328118, 142) Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1cnc(OCCC2CCN3CCCC3C2)c(c1)C(F)(F)F Show InChI InChI=1S/C23H24F3N7O/c1-32-13-29-20-19(30-18(11-27)31-21(20)32)15-10-17(23(24,25)26)22(28-12-15)34-8-5-14-4-7-33-6-2-3-16(33)9-14/h10,12-14,16H,2-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM225211 (US9328118, 143) 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+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM225204 (US9328118, 136) Show SMILES CN1CCC(CCOc2ncc(cc2C(F)(F)F)-c2nc(nc3n(C)cnc23)C#N)CC1 Show InChI InChI=1S/C21H22F3N7O/c1-30-6-3-13(4-7-30)5-8-32-20-15(21(22,23)24)9-14(11-26-20)17-18-19(31(2)12-27-18)29-16(10-25)28-17/h9,11-13H,3-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				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 (Homo sapiens (Human))	BDBM225222 (US9328118, 155) Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1cnc(OCC2CCN(CC(C)(C)O)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C24H27F3N6O2/c1-23(2,34)14-33-8-4-15(5-9-33)13-35-22-18(24(25,26)27)10-16(12-29-22)20-17-6-7-32(3)21(17)31-19(11-28)30-20/h6-7,10,12,15,34H,4-5,8-9,13-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM225111 (US9328118, 8) Show SMILES CN1CCN(CC1)C(=O)Cn1ccc2c(nc(nc12)C#N)-c1ccc(OCCC2CCOCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C28H31F3N6O3/c1-35-9-11-36(12-10-35)25(38)18-37-8-4-21-26(33-24(17-32)34-27(21)37)20-2-3-23(22(16-20)28(29,30)31)40-15-7-19-5-13-39-14-6-19/h2-4,8,16,19H,5-7,9-15,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM225124 (US9328118, 25) Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1ccc(OCCC2CCN(CC(=O)N3CCCC3)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C27H30F3N7O2/c1-35-17-32-25-24(33-22(15-31)34-26(25)35)19-4-5-21(20(14-19)27(28,29)30)39-13-8-18-6-11-36(12-7-18)16-23(38)37-9-2-3-10-37/h4-5,14,17-18H,2-3,6-13,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM225220 (US9328118, 153) Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1cnc(OCC2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H19F3N6O/c1-29-7-4-14-17(27-16(9-24)28-18(14)29)13-8-15(20(21,22)23)19(26-10-13)30-11-12-2-5-25-6-3-12/h4,7-8,10,12,25H,2-3,5-6,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM225218 (US9328118, 150) 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-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM225133 (US9328118, 34) Show SMILES Cn1ccc2c(nc(nc12)C#N)-c1ccc(SCCC2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C22H22F3N5S/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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				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))	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 (Homo sapiens (Human))	BDBM225193 (US9328118, 113) Show SMILES Cn1cnc2c(nc(nc12)C#N)-c1cc(F)c(OCCC2CCNCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C21H20F4N6O/c1-31-11-28-18-17(29-16(10-26)30-20(18)31)13-8-14(21(23,24)25)19(15(22)9-13)32-7-4-12-2-5-27-6-3-12/h8-9,11-12,27H,2-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test comp...				US Patent US9328118 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VBT
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 225 total )  |  Next  |  Last  >>

Jump to: