Compile Data Set for Download or QSAR

Found 114 hits Enz. Inhib. hit(s) with all data for entry = 2351   

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))	BDBM19649 ((2R)-2-(cyclohexylmethyl)-N-[(2S)-4-methanesulfony...) Show SMILES CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H40F3N3O6S/c1-40(36,37)16-11-23(19-31-22-7-9-24(10-8-22)39-27(28,29)30)32-26(35)21(17-20-5-3-2-4-6-20)18-25(34)33-12-14-38-15-13-33/h7-10,20-21,23,31H,2-6,11-19H2,1H3,(H,32,35)/t21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5	-49.3	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19655 ((2R)-2-(2-cyclopentylethyl)-N-[(2S)-3-methyl-1-{[4...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H40F3N3O4/c1-19(2)24(18-31-22-9-11-23(12-10-22)37-27(28,29)30)32-26(35)21(8-7-20-5-3-4-6-20)17-25(34)33-13-15-36-16-14-33/h9-12,19-21,24,31H,3-8,13-18H2,1-2H3,(H,32,35)/t21-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	11	-47.3	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19646 ((2R)-2-(cyclohexylmethyl)-N-[(2S)-3-methyl-1-{[4-(...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H40F3N3O4/c1-19(2)24(18-31-22-8-10-23(11-9-22)37-27(28,29)30)32-26(35)21(16-20-6-4-3-5-7-20)17-25(34)33-12-14-36-15-13-33/h8-11,19-21,24,31H,3-7,12-18H2,1-2H3,(H,32,35)/t21-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	11	-47.3	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19653 ((2R)-2-(cyclopentylmethyl)-4-(morpholin-4-yl)-4-ox...) Show SMILES CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H38F3N3O4/c1-2-5-22(18-30-21-8-10-23(11-9-21)36-26(27,28)29)31-25(34)20(16-19-6-3-4-7-19)17-24(33)32-12-14-35-15-13-32/h8-11,19-20,22,30H,2-7,12-18H2,1H3,(H,31,34)/t20-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	12	-47.0	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19645 ((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...) Show SMILES CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H40F3N3O4/c1-2-6-23(19-31-22-9-11-24(12-10-22)37-27(28,29)30)32-26(35)21(17-20-7-4-3-5-8-20)18-25(34)33-13-15-36-16-14-33/h9-12,20-21,23,31H,2-8,13-19H2,1H3,(H,32,35)/t21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	13	-46.8	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19662 ((2R)-N-[(2S)-3-methyl-1-{[4-(trifluoromethoxy)phen...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCCc1ccccc1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H38F3N3O4/c1-21(2)26(20-33-24-11-13-25(14-12-24)39-29(30,31)32)34-28(37)23(10-6-9-22-7-4-3-5-8-22)19-27(36)35-15-17-38-18-16-35/h3-5,7-8,11-14,21,23,26,33H,6,9-10,15-20H2,1-2H3,(H,34,37)/t23-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	14	-46.6	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19644 ((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...) Show SMILES CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H38F3N3O4/c1-2-21(18-30-22-8-10-23(11-9-22)36-26(27,28)29)31-25(34)20(16-19-6-4-3-5-7-19)17-24(33)32-12-14-35-15-13-32/h8-11,19-21,30H,2-7,12-18H2,1H3,(H,31,34)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	16	-46.3	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19647 ((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...) Show SMILES FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1 |r| Show InChI InChI=1S/C32H42F3N3O4/c33-32(34,35)42-29-15-13-27(14-16-29)36-23-28(12-11-24-7-3-1-4-8-24)37-31(40)26(21-25-9-5-2-6-10-25)22-30(39)38-17-19-41-20-18-38/h1,3-4,7-8,13-16,25-26,28,36H,2,5-6,9-12,17-23H2,(H,37,40)/t26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	18	-46.0	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19656 ((2R)-2-(2-cyclopentylethyl)-4-(morpholin-4-yl)-4-o...) Show SMILES FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)[C@H](CCC2CCCC2)CC(=O)N2CCOCC2)cc1 |r| Show InChI InChI=1S/C32H42F3N3O4/c33-32(34,35)42-29-16-14-27(15-17-29)36-23-28(13-11-25-6-2-1-3-7-25)37-31(40)26(12-10-24-8-4-5-9-24)22-30(39)38-18-20-41-21-19-38/h1-3,6-7,14-17,24,26,28,36H,4-5,8-13,18-23H2,(H,37,40)/t26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	20	-45.7	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19667 ((2S)-2-(4-chlorophenyl)-N-[(2S)-3-methyl-1-{[4-(tr...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H31ClF3N3O4/c1-17(2)23(16-31-20-7-9-21(10-8-20)37-26(28,29)30)32-25(35)22(18-3-5-19(27)6-4-18)15-24(34)33-11-13-36-14-12-33/h3-10,17,22-23,31H,11-16H2,1-2H3,(H,32,35)/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	21	-45.6	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19666 ((2S)-2-(4-fluorophenyl)-N-[(2S)-3-methyl-1-{[4-(tr...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H31F4N3O4/c1-17(2)23(16-31-20-7-9-21(10-8-20)37-26(28,29)30)32-25(35)22(18-3-5-19(27)6-4-18)15-24(34)33-11-13-36-14-12-33/h3-10,17,22-23,31H,11-16H2,1-2H3,(H,32,35)/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	24	-45.2	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19665 ((2S)-N-[(2S)-3-methyl-1-{[4-(trifluoromethoxy)phen...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccccc1 |r| Show InChI InChI=1S/C26H32F3N3O4/c1-18(2)23(17-30-20-8-10-21(11-9-20)36-26(27,28)29)31-25(34)22(19-6-4-3-5-7-19)16-24(33)32-12-14-35-15-13-32/h3-11,18,22-23,30H,12-17H2,1-2H3,(H,31,34)/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	25	-45.1	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19661 ((2R)-N-[(2S)-3-methyl-1-{[4-(trifluoromethoxy)phen...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H36F3N3O4/c1-20(2)25(19-32-23-10-12-24(13-11-23)38-28(29,30)31)33-27(36)22(9-8-21-6-4-3-5-7-21)18-26(35)34-14-16-37-17-15-34/h3-7,10-13,20,22,25,32H,8-9,14-19H2,1-2H3,(H,33,36)/t22-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	27	-44.9	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19643 ((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H36F3N3O4/c1-18(17-29-21-7-9-22(10-8-21)35-25(26,27)28)30-24(33)20(15-19-5-3-2-4-6-19)16-23(32)31-11-13-34-14-12-31/h7-10,18-20,29H,2-6,11-17H2,1H3,(H,30,33)/t18-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	28	-44.8	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19651 ((2R)-2-(cyclopentylmethyl)-4-(morpholin-4-yl)-4-ox...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C24H34F3N3O4/c1-17(16-28-20-6-8-21(9-7-20)34-24(25,26)27)29-23(32)19(14-18-4-2-3-5-18)15-22(31)30-10-12-33-13-11-30/h6-9,17-19,28H,2-5,10-16H2,1H3,(H,29,32)/t17-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	31	-44.6	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19663 ((2S)-4-(morpholin-4-yl)-4-oxo-2-phenyl-N-[(2S)-4-p...) Show SMILES FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C31H34F3N3O4/c32-31(33,34)41-27-15-13-25(14-16-27)35-22-26(12-11-23-7-3-1-4-8-23)36-30(39)28(24-9-5-2-6-10-24)21-29(38)37-17-19-40-20-18-37/h1-10,13-16,26,28,35H,11-12,17-22H2,(H,36,39)/t26-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	37	-44.1	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19652 ((2R)-2-(cyclopentylmethyl)-N-[(2S)-3-methyl-1-{[4-...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H38F3N3O4/c1-18(2)23(17-30-21-7-9-22(10-8-21)36-26(27,28)29)31-25(34)20(15-19-5-3-4-6-19)16-24(33)32-11-13-35-14-12-32/h7-10,18-20,23,30H,3-6,11-17H2,1-2H3,(H,31,34)/t20-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	38	-44.1	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19670 ((2S)-N-[(2S)-3-methyl-1-{[4-(trifluoromethoxy)phen...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C27H31F6N3O4/c1-17(2)23(16-34-20-7-9-21(10-8-20)40-27(31,32)33)35-25(38)22(15-24(37)36-11-13-39-14-12-36)18-3-5-19(6-4-18)26(28,29)30/h3-10,17,22-23,34H,11-16H2,1-2H3,(H,35,38)/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19660 ((2R)-4-(morpholin-4-yl)-4-oxo-2-(2-phenylethyl)-N-...) Show SMILES CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H34F3N3O4/c1-2-22(19-31-23-10-12-24(13-11-23)37-27(28,29)30)32-26(35)21(9-8-20-6-4-3-5-7-20)18-25(34)33-14-16-36-17-15-33/h3-7,10-13,21-22,31H,2,8-9,14-19H2,1H3,(H,32,35)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	60	-42.9	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19648 ((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...) Show SMILES FC(F)(F)Oc1ccc(NC[C@@H](NC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C30H38F3N3O4/c31-30(32,33)40-26-13-11-25(12-14-26)34-21-27(23-9-5-2-6-10-23)35-29(38)24(19-22-7-3-1-4-8-22)20-28(37)36-15-17-39-18-16-36/h2,5-6,9-14,22,24,27,34H,1,3-4,7-8,15-21H2,(H,35,38)/t24-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	62	-42.8	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19650 ((2R)-2-(cyclohexylmethyl)-N-[(2R)-4-methanesulfony...) Show SMILES CS(=O)(=O)CC[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H40F3N3O6S/c1-40(36,37)16-11-23(19-31-22-7-9-24(10-8-22)39-27(28,29)30)32-26(35)21(17-20-5-3-2-4-6-20)18-25(34)33-12-14-38-15-13-33/h7-10,20-21,23,31H,2-6,11-19H2,1H3,(H,32,35)/t21-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	69	-42.5	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19658 ((2R)-5,5-dimethyl-2-[2-(morpholin-4-yl)-2-oxoethyl...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC(C)(C)C)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C24H36F3N3O4/c1-17(16-28-19-5-7-20(8-6-19)34-24(25,26)27)29-22(32)18(9-10-23(2,3)4)15-21(31)30-11-13-33-14-12-30/h5-8,17-18,28H,9-16H2,1-4H3,(H,29,32)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	70	-42.5	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19654 ((2R)-2-(2-cyclohexylethyl)-4-(morpholin-4-yl)-4-ox...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H38F3N3O4/c1-19(18-30-22-9-11-23(12-10-22)36-26(27,28)29)31-25(34)21(8-7-20-5-3-2-4-6-20)17-24(33)32-13-15-35-16-14-32/h9-12,19-21,30H,2-8,13-18H2,1H3,(H,31,34)/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	95	-41.7	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19649 ((2R)-2-(cyclohexylmethyl)-N-[(2S)-4-methanesulfony...) Show SMILES CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H40F3N3O6S/c1-40(36,37)16-11-23(19-31-22-7-9-24(10-8-22)39-27(28,29)30)32-26(35)21(17-20-5-3-2-4-6-20)18-25(34)33-12-14-38-15-13-33/h7-10,20-21,23,31H,2-6,11-19H2,1H3,(H,32,35)/t21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19668 ((2S)-2-(4-methoxyphenyl)-N-[(2S)-3-methyl-1-{[4-(t...) Show SMILES COc1ccc(cc1)[C@H](CC(=O)N1CCOCC1)C(=O)N[C@H](CNc1ccc(OC(F)(F)F)cc1)C(C)C |r| Show InChI InChI=1S/C27H34F3N3O5/c1-18(2)24(17-31-20-6-10-22(11-7-20)38-27(28,29)30)32-26(35)23(19-4-8-21(36-3)9-5-19)16-25(34)33-12-14-37-15-13-33/h4-11,18,23-24,31H,12-17H2,1-3H3,(H,32,35)/t23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19669 ((2S)-N-[(2S)-3-methyl-1-{[4-(trifluoromethoxy)phen...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C27H34F3N3O4/c1-18(2)24(17-31-21-8-10-22(11-9-21)37-27(28,29)30)32-26(35)23(20-6-4-19(3)5-7-20)16-25(34)33-12-14-36-15-13-33/h4-11,18,23-24,31H,12-17H2,1-3H3,(H,32,35)/t23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19661 ((2R)-N-[(2S)-3-methyl-1-{[4-(trifluoromethoxy)phen...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H36F3N3O4/c1-20(2)25(19-32-23-10-12-24(13-11-23)38-28(29,30)31)33-27(36)22(9-8-21-6-4-3-5-7-21)18-26(35)34-14-16-37-17-15-34/h3-7,10-13,20,22,25,32H,8-9,14-19H2,1-2H3,(H,33,36)/t22-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19646 ((2R)-2-(cyclohexylmethyl)-N-[(2S)-3-methyl-1-{[4-(...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H40F3N3O4/c1-19(2)24(18-31-22-8-10-23(11-9-22)37-27(28,29)30)32-26(35)21(16-20-6-4-3-5-7-20)17-25(34)33-12-14-36-15-13-33/h8-11,19-21,24,31H,3-7,12-18H2,1-2H3,(H,32,35)/t21-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	193	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19642 ((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...) Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1 |r| Show InChI InChI=1S/C24H34F3N3O4/c25-24(26,27)34-21-8-6-20(7-9-21)28-10-11-29-23(32)19(16-18-4-2-1-3-5-18)17-22(31)30-12-14-33-15-13-30/h6-9,18-19,28H,1-5,10-17H2,(H,29,32)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	194	-39.9	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19662 ((2R)-N-[(2S)-3-methyl-1-{[4-(trifluoromethoxy)phen...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCCc1ccccc1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H38F3N3O4/c1-21(2)26(20-33-24-11-13-25(14-12-24)39-29(30,31)32)34-28(37)23(10-6-9-22-7-4-3-5-8-22)19-27(36)35-15-17-38-18-16-35/h3-5,7-8,11-14,21,23,26,33H,6,9-10,15-20H2,1-2H3,(H,34,37)/t23-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	197	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19653 ((2R)-2-(cyclopentylmethyl)-4-(morpholin-4-yl)-4-ox...) Show SMILES CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H38F3N3O4/c1-2-5-22(18-30-21-8-10-23(11-9-21)36-26(27,28)29)31-25(34)20(16-19-6-3-4-7-19)17-24(33)32-12-14-35-15-13-32/h8-11,19-20,22,30H,2-7,12-18H2,1H3,(H,31,34)/t20-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	217	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19649 ((2R)-2-(cyclohexylmethyl)-N-[(2S)-4-methanesulfony...) Show SMILES CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H40F3N3O6S/c1-40(36,37)16-11-23(19-31-22-7-9-24(10-8-22)39-27(28,29)30)32-26(35)21(17-20-5-3-2-4-6-20)18-25(34)33-12-14-38-15-13-33/h7-10,20-21,23,31H,2-6,11-19H2,1H3,(H,32,35)/t21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19664 ((2S)-4-(morpholin-4-yl)-4-oxo-2-phenyl-N-[(1S)-1-p...) Show SMILES FC(F)(F)Oc1ccc(NC[C@@H](NC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C29H30F3N3O4/c30-29(31,32)39-24-13-11-23(12-14-24)33-20-26(22-9-5-2-6-10-22)34-28(37)25(21-7-3-1-4-8-21)19-27(36)35-15-17-38-18-16-35/h1-14,25-26,33H,15-20H2,(H,34,37)/t25-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	261	-39.1	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19644 ((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...) Show SMILES CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H38F3N3O4/c1-2-21(18-30-22-8-10-23(11-9-22)36-26(27,28)29)31-25(34)20(16-19-6-4-3-5-7-19)17-24(33)32-12-14-35-15-13-32/h8-11,19-21,30H,2-7,12-18H2,1H3,(H,31,34)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	267	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19645 ((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...) Show SMILES CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H40F3N3O4/c1-2-6-23(19-31-22-9-11-24(12-10-22)37-27(28,29)30)32-26(35)21(17-20-7-4-3-5-8-20)18-25(34)33-13-15-36-16-14-33/h9-12,20-21,23,31H,2-8,13-19H2,1H3,(H,32,35)/t21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	285	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19660 ((2R)-4-(morpholin-4-yl)-4-oxo-2-(2-phenylethyl)-N-...) Show SMILES CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H34F3N3O4/c1-2-22(19-31-23-10-12-24(13-11-23)37-27(28,29)30)32-26(35)21(9-8-20-6-4-3-5-7-20)18-25(34)33-14-16-36-17-15-33/h3-7,10-13,21-22,31H,2,8-9,14-19H2,1H3,(H,32,35)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	291	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19661 ((2R)-N-[(2S)-3-methyl-1-{[4-(trifluoromethoxy)phen...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H36F3N3O4/c1-20(2)25(19-32-23-10-12-24(13-11-23)38-28(29,30)31)33-27(36)22(9-8-21-6-4-3-5-7-21)18-26(35)34-14-16-37-17-15-34/h3-7,10-13,20,22,25,32H,8-9,14-19H2,1-2H3,(H,33,36)/t22-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19657 ((2R)-4,4-dimethyl-2-[2-(morpholin-4-yl)-2-oxoethyl...) Show SMILES C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC(C)(C)C |r| Show InChI InChI=1S/C23H34F3N3O4/c1-16(15-27-18-5-7-19(8-6-18)33-23(24,25)26)28-21(31)17(14-22(2,3)4)13-20(30)29-9-11-32-12-10-29/h5-8,16-17,27H,9-15H2,1-4H3,(H,28,31)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	408	-37.9	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19645 ((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...) Show SMILES CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H40F3N3O4/c1-2-6-23(19-31-22-9-11-24(12-10-22)37-27(28,29)30)32-26(35)21(17-20-7-4-3-5-8-20)18-25(34)33-13-15-36-16-14-33/h9-12,20-21,23,31H,2-8,13-19H2,1H3,(H,32,35)/t21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	557	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19660 ((2R)-4-(morpholin-4-yl)-4-oxo-2-(2-phenylethyl)-N-...) Show SMILES CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H34F3N3O4/c1-2-22(19-31-23-10-12-24(13-11-23)37-27(28,29)30)32-26(35)21(9-8-20-6-4-3-5-7-20)18-25(34)33-14-16-36-17-15-33/h3-7,10-13,21-22,31H,2,8-9,14-19H2,1H3,(H,32,35)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	588	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19674 ((2S)-N-[(1S)-1-cyclopropyl-2-{[4-(trifluoromethoxy...) Show SMILES FC(F)(F)Oc1ccc(NC[C@@H](NC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccc(cc2)C(F)(F)F)C2CC2)cc1 |r| Show InChI InChI=1S/C27H29F6N3O4/c28-26(29,30)19-5-3-17(4-6-19)22(15-24(37)36-11-13-39-14-12-36)25(38)35-23(18-1-2-18)16-34-20-7-9-21(10-8-20)40-27(31,32)33/h3-10,18,22-23,34H,1-2,11-16H2,(H,35,38)/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	616	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19647 ((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...) Show SMILES FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1 |r| Show InChI InChI=1S/C32H42F3N3O4/c33-32(34,35)42-29-15-13-27(14-16-29)36-23-28(12-11-24-7-3-1-4-8-24)37-31(40)26(21-25-9-5-2-6-10-25)22-30(39)38-17-19-41-20-18-38/h1,3-4,7-8,13-16,25-26,28,36H,2,5-6,9-12,17-23H2,(H,37,40)/t26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	636	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19663 ((2S)-4-(morpholin-4-yl)-4-oxo-2-phenyl-N-[(2S)-4-p...) Show SMILES FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C31H34F3N3O4/c32-31(33,34)41-27-15-13-25(14-16-27)35-22-26(12-11-23-7-3-1-4-8-23)36-30(39)28(24-9-5-2-6-10-24)21-29(38)37-17-19-40-20-18-37/h1-10,13-16,26,28,35H,11-12,17-22H2,(H,36,39)/t26-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19655 ((2R)-2-(2-cyclopentylethyl)-N-[(2S)-3-methyl-1-{[4...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H40F3N3O4/c1-19(2)24(18-31-22-9-11-23(12-10-22)37-27(28,29)30)32-26(35)21(8-7-20-5-3-4-6-20)17-25(34)33-13-15-36-16-14-33/h9-12,19-21,24,31H,3-8,13-18H2,1-2H3,(H,32,35)/t21-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	777	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19644 ((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...) Show SMILES CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H38F3N3O4/c1-2-21(18-30-22-8-10-23(11-9-22)36-26(27,28)29)31-25(34)20(16-19-6-4-3-5-7-19)17-24(33)32-12-14-35-15-13-32/h8-11,19-21,30H,2-7,12-18H2,1H3,(H,31,34)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	907	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin K (Homo sapiens (Human))	BDBM19646 ((2R)-2-(cyclohexylmethyl)-N-[(2S)-3-methyl-1-{[4-(...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H40F3N3O4/c1-19(2)24(18-31-22-8-10-23(11-9-22)37-27(28,29)30)32-26(35)21(16-20-6-4-3-5-7-20)17-25(34)33-12-14-36-15-13-33/h8-11,19-21,24,31H,3-7,12-18H2,1-2H3,(H,32,35)/t21-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	995	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin K (Homo sapiens (Human))	BDBM19652 ((2R)-2-(cyclopentylmethyl)-N-[(2S)-3-methyl-1-{[4-...) Show SMILES CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H38F3N3O4/c1-18(2)23(17-30-21-7-9-22(10-8-21)36-26(27,28)29)31-25(34)20(15-19-5-3-4-6-19)16-24(33)32-11-13-35-14-12-32/h7-10,18-20,23,30H,3-6,11-17H2,1-2H3,(H,31,34)/t20-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19638 ((2R)-2-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)am...) Show SMILES Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1 |r| Show InChI InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-23(29)19(16-18-4-2-1-3-5-18)17-22(28)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,29)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.37E+3	-34.8	n/a	n/a	n/a	n/a	n/a	5.5	37
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19647 ((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...) Show SMILES FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1 |r| Show InChI InChI=1S/C32H42F3N3O4/c33-32(34,35)42-29-15-13-27(14-16-29)36-23-28(12-11-24-7-3-1-4-8-24)37-31(40)26(21-25-9-5-2-6-10-25)22-30(39)38-17-19-41-20-18-38/h1,3-4,7-8,13-16,25-26,28,36H,2,5-6,9-12,17-23H2,(H,37,40)/t26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19650 ((2R)-2-(cyclohexylmethyl)-N-[(2R)-4-methanesulfony...) Show SMILES CS(=O)(=O)CC[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H40F3N3O6S/c1-40(36,37)16-11-23(19-31-22-7-9-24(10-8-22)39-27(28,29)30)32-26(35)21(17-20-5-3-2-4-6-20)18-25(34)33-12-14-38-15-13-33/h7-10,20-21,23,31H,2-6,11-19H2,1H3,(H,32,35)/t21-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR
					More data for this Ligand-Target Pair

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