Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50020498   

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 K (Homo sapiens (Human))	BDBM19489 ((2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifl...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C23H26F3N3O3S/c1-15(2)14-20(22(30)28-13-12-27)29-21(23(24,25)26)18-6-4-16(5-7-18)17-8-10-19(11-9-17)33(3,31)32/h4-11,15,20-21,29H,13-14H2,1-3H3,(H,28,30)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214543 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C#N Show InChI InChI=1S/C26H32F3N3O3S2/c1-17(2)15-23(25(33)31-21(16-30)13-14-36-3)32-24(26(27,28)29)20-7-5-18(6-8-20)19-9-11-22(12-10-19)37(4,34)35/h5-12,17,21,23-24,32H,13-15H2,1-4H3,(H,31,33)/t21-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214542 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N Show InChI InChI=1S/C30H32F3N3O3S/c1-20(2)17-27(29(37)35-25(19-34)18-21-7-5-4-6-8-21)36-28(30(31,32)33)24-11-9-22(10-12-24)23-13-15-26(16-14-23)40(3,38)39/h4-16,20,25,27-28,36H,17-18H2,1-3H3,(H,35,37)/t25-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214540 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](C)C#N Show InChI InChI=1S/C24H28F3N3O3S/c1-15(2)13-21(23(31)29-16(3)14-28)30-22(24(25,26)27)19-7-5-17(6-8-19)18-9-11-20(12-10-18)34(4,32)33/h5-12,15-16,21-22,30H,13H2,1-4H3,(H,29,31)/t16-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214546 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C30H34F3N3O4S/c1-19(2)17-26(29(38)36-25(28(34)37)18-20-7-5-4-6-8-20)35-27(30(31,32)33)23-11-9-21(10-12-23)22-13-15-24(16-14-22)41(3,39)40/h4-16,19,25-27,35H,17-18H2,1-3H3,(H2,34,37)(H,36,38)/t25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214539 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(N)=O Show InChI InChI=1S/C26H34F3N3O4S2/c1-16(2)15-22(25(34)32-21(24(30)33)13-14-37-3)31-23(26(27,28)29)19-7-5-17(6-8-19)18-9-11-20(12-10-18)38(4,35)36/h5-12,16,21-23,31H,13-15H2,1-4H3,(H2,30,33)(H,32,34)/t21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214545 ((S)-4-methylsulfanyl-2-{(S)-4-methyl-2-[(S)-2,2,2-...) Show SMILES COC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C27H35F3N2O5S2/c1-17(2)16-23(25(33)32-22(14-15-38-4)26(34)37-3)31-24(27(28,29)30)20-8-6-18(7-9-20)19-10-12-21(13-11-19)39(5,35)36/h6-13,17,22-24,31H,14-16H2,1-5H3,(H,32,33)/t22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214551 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(C)=O Show InChI InChI=1S/C27H35F3N2O4S2/c1-17(2)16-24(26(34)32-23(18(3)33)14-15-37-4)31-25(27(28,29)30)21-8-6-19(7-9-21)20-10-12-22(13-11-20)38(5,35)36/h6-13,17,23-25,31H,14-16H2,1-5H3,(H,32,34)/t23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214553 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CSC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(N)=O Show InChI InChI=1S/C25H32F3N3O4S2/c1-15(2)13-20(24(33)31-21(14-36-3)23(29)32)30-22(25(26,27)28)18-7-5-16(6-8-18)17-9-11-19(12-10-17)37(4,34)35/h5-12,15,20-22,30H,13-14H2,1-4H3,(H2,29,32)(H,31,33)/t20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214556 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CNC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C27H36F3N3O4S2/c1-17(2)16-23(26(35)33-22(14-15-38-4)25(34)31-3)32-24(27(28,29)30)20-8-6-18(7-9-20)19-10-12-21(13-11-19)39(5,36)37/h6-13,17,22-24,32H,14-16H2,1-5H3,(H,31,34)(H,33,35)/t22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214554 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCc1ccccc1 Show InChI InChI=1S/C33H40F3N3O4S2/c1-22(2)20-29(32(41)39-28(18-19-44-3)31(40)37-21-23-8-6-5-7-9-23)38-30(33(34,35)36)26-12-10-24(11-13-26)25-14-16-27(17-15-25)45(4,42)43/h5-17,22,28-30,38H,18-21H2,1-4H3,(H,37,40)(H,39,41)/t28-,29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214548 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](CS(C)(=O)=O)C(N)=O Show InChI InChI=1S/C25H32F3N3O6S2/c1-15(2)13-20(24(33)31-21(23(29)32)14-38(3,34)35)30-22(25(26,27)28)18-7-5-16(6-8-18)17-9-11-19(12-10-17)39(4,36)37/h5-12,15,20-22,30H,13-14H2,1-4H3,(H2,29,32)(H,31,33)/t20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214549 ((S)-4-methylsulfanyl-2-{(S)-4-methyl-2-[(S)-2,2,2-...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(O)=O Show InChI InChI=1S/C26H33F3N2O5S2/c1-16(2)15-22(24(32)31-21(25(33)34)13-14-37-3)30-23(26(27,28)29)19-7-5-17(6-8-19)18-9-11-20(12-10-18)38(4,35)36/h5-12,16,21-23,30H,13-15H2,1-4H3,(H,31,32)(H,33,34)/t21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214547 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O Show InChI InChI=1S/C26H34F3N3O6S2/c1-16(2)15-22(25(34)32-21(24(30)33)13-14-39(3,35)36)31-23(26(27,28)29)19-7-5-17(6-8-19)18-9-11-20(12-10-18)40(4,37)38/h5-12,16,21-23,31H,13-15H2,1-4H3,(H2,30,33)(H,32,34)/t21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214555 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](C)C(N)=O Show InChI InChI=1S/C24H30F3N3O4S/c1-14(2)13-20(23(32)29-15(3)22(28)31)30-21(24(25,26)27)18-7-5-16(6-8-18)17-9-11-19(12-10-17)35(4,33)34/h5-12,14-15,20-21,30H,13H2,1-4H3,(H2,28,31)(H,29,32)/t15-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214537 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC(N)=O Show InChI InChI=1S/C23H28F3N3O4S/c1-14(2)12-19(22(31)28-13-20(27)30)29-21(23(24,25)26)17-6-4-15(5-7-17)16-8-10-18(11-9-16)34(3,32)33/h4-11,14,19,21,29H,12-13H2,1-3H3,(H2,27,30)(H,28,31)/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214544 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NS(C)(=O)=O Show InChI InChI=1S/C27H36F3N3O6S3/c1-17(2)16-23(25(34)32-22(14-15-40-3)26(35)33-42(5,38)39)31-24(27(28,29)30)20-8-6-18(7-9-20)19-10-12-21(13-11-19)41(4,36)37/h6-13,17,22-24,31H,14-16H2,1-5H3,(H,32,34)(H,33,35)/t22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214552 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](CCc1ccccc1)C(N)=O Show InChI InChI=1S/C31H36F3N3O4S/c1-20(2)19-27(30(39)37-26(29(35)38)18-9-21-7-5-4-6-8-21)36-28(31(32,33)34)24-12-10-22(11-13-24)23-14-16-25(17-15-23)42(3,40)41/h4-8,10-17,20,26-28,36H,9,18-19H2,1-3H3,(H2,35,38)(H,37,39)/t26-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	273	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214538 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC(F)(F)F Show InChI InChI=1S/C28H35F6N3O4S2/c1-17(2)15-23(26(39)37-22(13-14-42-3)25(38)35-16-27(29,30)31)36-24(28(32,33)34)20-7-5-18(6-8-20)19-9-11-21(12-10-19)43(4,40)41/h5-12,17,22-24,36H,13-16H2,1-4H3,(H,35,38)(H,37,39)/t22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	277	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214541 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N(C)C Show InChI InChI=1S/C28H38F3N3O4S2/c1-18(2)17-24(26(35)33-23(15-16-39-5)27(36)34(3)4)32-25(28(29,30)31)21-9-7-19(8-10-21)20-11-13-22(14-12-20)40(6,37)38/h7-14,18,23-25,32H,15-17H2,1-6H3,(H,33,35)/t23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50214550 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C30H34F3N3O4S/c1-19(2)17-26(29(38)36-25(28(34)37)18-20-7-5-4-6-8-20)35-27(30(31,32)33)23-11-9-21(10-12-23)22-13-15-24(16-14-22)41(3,39)40/h4-16,19,25-27,35H,17-18H2,1-3H3,(H2,34,37)(H,36,38)/t25-,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of humanized rabbit cathepsin K				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50214546 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C30H34F3N3O4S/c1-19(2)17-26(29(38)36-25(28(34)37)18-20-7-5-4-6-8-20)35-27(30(31,32)33)23-11-9-21(10-12-23)22-13-15-24(16-14-22)41(3,39)40/h4-16,19,25-27,35H,17-18H2,1-3H3,(H2,34,37)(H,36,38)/t25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50214537 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC(N)=O Show InChI InChI=1S/C23H28F3N3O4S/c1-14(2)12-19(22(31)28-13-20(27)30)29-21(23(24,25)26)17-6-4-15(5-7-17)16-8-10-18(11-9-16)34(3,32)33/h4-11,14,19,21,29H,12-13H2,1-3H3,(H2,27,30)(H,28,31)/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50214539 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(N)=O Show InChI InChI=1S/C26H34F3N3O4S2/c1-16(2)15-22(25(34)32-21(24(30)33)13-14-37-3)31-23(26(27,28)29)19-7-5-17(6-8-19)18-9-11-20(12-10-18)38(4,35)36/h5-12,16,21-23,31H,13-15H2,1-4H3,(H2,30,33)(H,32,34)/t21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50214537 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC(N)=O Show InChI InChI=1S/C23H28F3N3O4S/c1-14(2)12-19(22(31)28-13-20(27)30)29-21(23(24,25)26)17-6-4-15(5-7-17)16-8-10-18(11-9-16)34(3,32)33/h4-11,14,19,21,29H,12-13H2,1-3H3,(H2,27,30)(H,28,31)/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50214546 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C30H34F3N3O4S/c1-19(2)17-26(29(38)36-25(28(34)37)18-20-7-5-4-6-8-20)35-27(30(31,32)33)23-11-9-21(10-12-23)22-13-15-24(16-14-22)41(3,39)40/h4-16,19,25-27,35H,17-18H2,1-3H3,(H2,34,37)(H,36,38)/t25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50214539 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(N)=O Show InChI InChI=1S/C26H34F3N3O4S2/c1-16(2)15-22(25(34)32-21(24(30)33)13-14-37-3)31-23(26(27,28)29)19-7-5-17(6-8-19)18-9-11-20(12-10-18)38(4,35)36/h5-12,16,21-23,31H,13-15H2,1-4H3,(H2,30,33)(H,32,34)/t21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50214546 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C30H34F3N3O4S/c1-19(2)17-26(29(38)36-25(28(34)37)18-20-7-5-4-6-8-20)35-27(30(31,32)33)23-11-9-21(10-12-23)22-13-15-24(16-14-22)41(3,39)40/h4-16,19,25-27,35H,17-18H2,1-3H3,(H2,34,37)(H,36,38)/t25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50214539 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(N)=O Show InChI InChI=1S/C26H34F3N3O4S2/c1-16(2)15-22(25(34)32-21(24(30)33)13-14-37-3)31-23(26(27,28)29)19-7-5-17(6-8-19)18-9-11-20(12-10-18)38(4,35)36/h5-12,16,21-23,31H,13-15H2,1-4H3,(H2,30,33)(H,32,34)/t21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50214537 ((S)-4-methyl-2-[(S)-2,2,2-trifluoro-1-(4'-methanes...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC(N)=O Show InChI InChI=1S/C23H28F3N3O4S/c1-14(2)12-19(22(31)28-13-20(27)30)29-21(23(24,25)26)17-6-4-15(5-7-17)16-8-10-18(11-9-16)34(3,32)33/h4-11,14,19,21,29H,12-13H2,1-3H3,(H2,27,30)(H,28,31)/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				Bioorg Med Chem Lett 17: 4328-32 (2007) Article DOI: 10.1016/j.bmcl.2007.05.024 BindingDB Entry DOI: 10.7270/Q2TQ618K
					More data for this Ligand-Target Pair