Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50032880   

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))	BDBM50336041 (1-methyl-6-(4-(2-(1-(oxazol-2-ylmethyl)piperidin-4...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(Cc3ncco3)CC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C26H25F3N6O2/c1-34-16-32-25-21(14-30)33-20(13-22(25)34)18-2-3-23(19(12-18)26(27,28)29)36-10-6-17-4-8-35(9-5-17)15-24-31-7-11-37-24/h2-3,7,11-13,16-17H,4-6,8-10,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of mouse cathepsin S				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50336044 (6-(4-(2-(1-((3,5-dimethylisoxazol-4-yl)methyl)pipe...) Show SMILES Cc1noc(C)c1CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C28H29F3N6O2/c1-17-21(18(2)39-35-17)15-37-9-6-19(7-10-37)8-11-38-26-5-4-20(12-22(26)28(29,30)31)23-13-25-27(24(14-32)34-23)33-16-36(25)3/h4-5,12-13,16,19H,6-11,15H2,1-3H3	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323244 (6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluo...) Show SMILES CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H27F3N6O/c1-3-32-8-10-33(11-9-32)7-4-12-34-22-6-5-17(13-18(22)24(25,26)27)19-14-21-23(20(15-28)30-19)29-16-31(21)2/h5-6,13-14,16H,3-4,7-12H2,1-2H3	PDB 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	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323253 (1-methyl-6-(4-(2-(2-oxopyrrolidin-1-yl)ethoxy)-3-(...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCN2CCCC2=O)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H18F3N5O2/c1-28-12-26-20-16(11-25)27-15(10-17(20)28)13-4-5-18(14(9-13)21(22,23)24)31-8-7-29-6-2-3-19(29)30/h4-5,9-10,12H,2-3,6-8H2,1H3	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	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50336042 (1-methyl-6-(4-(2-(1-methylpiperidin-4-yl)ethoxy)-3...) Show SMILES CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C23H24F3N5O/c1-30-8-5-15(6-9-30)7-10-32-21-4-3-16(11-17(21)23(24,25)26)18-12-20-22(19(13-27)29-18)28-14-31(20)2/h3-4,11-12,14-15H,5-10H2,1-2H3	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	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50336041 (1-methyl-6-(4-(2-(1-(oxazol-2-ylmethyl)piperidin-4...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(Cc3ncco3)CC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C26H25F3N6O2/c1-34-16-32-25-21(14-30)33-20(13-22(25)34)18-2-3-23(19(12-18)26(27,28)29)36-10-6-17-4-8-35(9-5-17)15-24-31-7-11-37-24/h2-3,7,11-13,16-17H,4-6,8-10,15H2,1H3	PDB 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	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323250 (1-methyl-6-(4-(2-(piperidin-4-yl)ethoxy)-3-(triflu...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C22H22F3N5O/c1-30-13-28-21-18(12-26)29-17(11-19(21)30)15-2-3-20(16(10-15)22(23,24)25)31-9-6-14-4-7-27-8-5-14/h2-3,10-11,13-14,27H,4-9H2,1H3	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	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50336043 (2-(4-(2-(4-(4-cyano-1-methyl-1H-imidazo[4,5-c]pyri...) Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C26H29F3N6O2/c1-33(2)24(36)15-35-9-6-17(7-10-35)8-11-37-23-5-4-18(12-19(23)26(27,28)29)20-13-22-25(21(14-30)32-20)31-16-34(22)3/h4-5,12-13,16-17H,6-11,15H2,1-3H3	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	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323250 (1-methyl-6-(4-(2-(piperidin-4-yl)ethoxy)-3-(triflu...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C22H22F3N5O/c1-30-13-28-21-18(12-26)29-17(11-19(21)30)15-2-3-20(16(10-15)22(23,24)25)31-9-6-14-4-7-27-8-5-14/h2-3,10-11,13-14,27H,4-9H2,1H3	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells assessed as accumulation of lip10 by Western blot analysis				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50336042 (1-methyl-6-(4-(2-(1-methylpiperidin-4-yl)ethoxy)-3...) Show SMILES CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C23H24F3N5O/c1-30-8-5-15(6-9-30)7-10-32-21-4-3-16(11-17(21)23(24,25)26)18-12-20-22(19(13-27)29-18)28-14-31(20)2/h3-4,11-12,14-15H,5-10H2,1-2H3	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 Research laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells assessed as accumulation of lip10 by Western blot analysis				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50336044 (6-(4-(2-(1-((3,5-dimethylisoxazol-4-yl)methyl)pipe...) Show SMILES Cc1noc(C)c1CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C28H29F3N6O2/c1-17-21(18(2)39-35-17)15-37-9-6-19(7-10-37)8-11-38-26-5-4-20(12-22(26)28(29,30)31)23-13-25-27(24(14-32)34-23)33-16-36(25)3/h4-5,12-13,16,19H,6-11,15H2,1-3H3	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells assessed as accumulation of lip10 by Western blot analysis				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50336047 (6-(4-(2-(1-acetylpiperidin-4-yl)ethoxy)-3-(trifluo...) Show SMILES CC(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H24F3N5O2/c1-15(33)32-8-5-16(6-9-32)7-10-34-22-4-3-17(11-18(22)24(25,26)27)19-12-21-23(20(13-28)30-19)29-14-31(21)2/h3-4,11-12,14,16H,5-10H2,1-2H3	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50336045 (1-methyl-6-(4-(2-(1-((5-methyl-1,3,4-oxadiazol-2-y...) Show SMILES Cc1nnc(CN2CCC(CCOc3ccc(cc3C(F)(F)F)-c3cc4n(C)cnc4c(n3)C#N)CC2)o1 Show InChI InChI=1S/C26H26F3N7O2/c1-16-33-34-24(38-16)14-36-8-5-17(6-9-36)7-10-37-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)32-20)31-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50336046 (1-methyl-6-(4-(2-(1-((3-methyl-1,2,4-oxadiazol-5-y...) Show SMILES Cc1noc(CN2CCC(CCOc3ccc(cc3C(F)(F)F)-c3cc4n(C)cnc4c(n3)C#N)CC2)n1 Show InChI InChI=1S/C26H26F3N7O2/c1-16-32-24(38-34-16)14-36-8-5-17(6-9-36)7-10-37-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)33-20)31-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50336043 (2-(4-(2-(4-(4-cyano-1-methyl-1H-imidazo[4,5-c]pyri...) Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C26H29F3N6O2/c1-33(2)24(36)15-35-9-6-17(7-10-35)8-11-37-23-5-4-18(12-19(23)26(27,28)29)20-13-22-25(21(14-30)32-20)31-16-34(22)3/h4-5,12-13,16-17H,6-11,15H2,1-3H3	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells assessed as accumulation of lip10 by Western blot analysis				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50336048 (1-methyl-6-(4-(2-(1-(methylsulfonyl)piperidin-4-yl...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(CC2)S(C)(=O)=O)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C23H24F3N5O3S/c1-30-14-28-22-19(13-27)29-18(12-20(22)30)16-3-4-21(17(11-16)23(24,25)26)34-10-7-15-5-8-31(9-6-15)35(2,32)33/h3-4,11-12,14-15H,5-10H2,1-2H3	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50336041 (1-methyl-6-(4-(2-(1-(oxazol-2-ylmethyl)piperidin-4...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(Cc3ncco3)CC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C26H25F3N6O2/c1-34-16-32-25-21(14-30)33-20(13-22(25)34)18-2-3-23(19(12-18)26(27,28)29)36-10-6-17-4-8-35(9-5-17)15-24-31-7-11-37-24/h2-3,7,11-13,16-17H,4-6,8-10,15H2,1H3	PDB 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	39	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells assessed as accumulation of lip10 by Western blot analysis				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323247 (6-(4-(3-(dimethylamino)propoxy)-3-(trifluoromethyl...) Show SMILES CN(C)CCCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N Show InChI InChI=1S/C20H20F3N5O/c1-27(2)7-4-8-29-18-6-5-13(9-14(18)20(21,22)23)15-10-17-19(16(11-24)26-15)25-12-28(17)3/h5-6,9-10,12H,4,7-8H2,1-3H3	PDB 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	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323244 (6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluo...) Show SMILES CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H27F3N6O/c1-3-32-8-10-33(11-9-32)7-4-12-34-22-6-5-17(13-18(22)24(25,26)27)19-14-21-23(20(15-28)30-19)29-16-31(21)2/h5-6,13-14,16H,3-4,7-12H2,1-2H3	PDB 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	63	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells assessed as accumulation of lip10 by Western blot analysis				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323247 (6-(4-(3-(dimethylamino)propoxy)-3-(trifluoromethyl...) Show SMILES CN(C)CCCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N Show InChI InChI=1S/C20H20F3N5O/c1-27(2)7-4-8-29-18-6-5-13(9-14(18)20(21,22)23)15-10-17-19(16(11-24)26-15)25-12-28(17)3/h5-6,9-10,12H,4,7-8H2,1-3H3	PDB 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	84	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells assessed as accumulation of lip10 by Western blot analysis				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50336045 (1-methyl-6-(4-(2-(1-((5-methyl-1,3,4-oxadiazol-2-y...) Show SMILES Cc1nnc(CN2CCC(CCOc3ccc(cc3C(F)(F)F)-c3cc4n(C)cnc4c(n3)C#N)CC2)o1 Show InChI InChI=1S/C26H26F3N7O2/c1-16-33-34-24(38-16)14-36-8-5-17(6-9-36)7-10-37-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)32-20)31-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3	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	123	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells assessed as accumulation of lip10 by Western blot analysis				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323250 (1-methyl-6-(4-(2-(piperidin-4-yl)ethoxy)-3-(triflu...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C22H22F3N5O/c1-30-13-28-21-18(12-26)29-17(11-19(21)30)15-2-3-20(16(10-15)22(23,24)25)31-9-6-14-4-7-27-8-5-14/h2-3,10-11,13-14,27H,4-9H2,1H3	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	178	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50336047 (6-(4-(2-(1-acetylpiperidin-4-yl)ethoxy)-3-(trifluo...) Show SMILES CC(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H24F3N5O2/c1-15(33)32-8-5-16(6-9-32)7-10-34-22-4-3-17(11-18(22)24(25,26)27)19-12-21-23(20(13-28)30-19)29-14-31(21)2/h3-4,11-12,14,16H,5-10H2,1-2H3	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	235	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells assessed as accumulation of lip10 by Western blot analysis				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50336044 (6-(4-(2-(1-((3,5-dimethylisoxazol-4-yl)methyl)pipe...) Show SMILES Cc1noc(C)c1CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C28H29F3N6O2/c1-17-21(18(2)39-35-17)15-37-9-6-19(7-10-37)8-11-38-26-5-4-20(12-22(26)28(29,30)31)23-13-25-27(24(14-32)34-23)33-16-36(25)3/h4-5,12-13,16,19H,6-11,15H2,1-3H3	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	288	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50336046 (1-methyl-6-(4-(2-(1-((3-methyl-1,2,4-oxadiazol-5-y...) Show SMILES Cc1noc(CN2CCC(CCOc3ccc(cc3C(F)(F)F)-c3cc4n(C)cnc4c(n3)C#N)CC2)n1 Show InChI InChI=1S/C26H26F3N7O2/c1-16-32-24(38-34-16)14-36-8-5-17(6-9-36)7-10-37-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)33-20)31-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3	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	294	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells assessed as accumulation of lip10 by Western blot analysis				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323244 (6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluo...) Show SMILES CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H27F3N6O/c1-3-32-8-10-33(11-9-32)7-4-12-34-22-6-5-17(13-18(22)24(25,26)27)19-14-21-23(20(15-28)30-19)29-16-31(21)2/h5-6,13-14,16H,3-4,7-12H2,1-2H3	PDB 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	331	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50336048 (1-methyl-6-(4-(2-(1-(methylsulfonyl)piperidin-4-yl...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(CC2)S(C)(=O)=O)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C23H24F3N5O3S/c1-30-14-28-22-19(13-27)29-18(12-20(22)30)16-3-4-21(17(11-16)23(24,25)26)34-10-7-15-5-8-31(9-6-15)35(2,32)33/h3-4,11-12,14-15H,5-10H2,1-2H3	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	353	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells assessed as accumulation of lip10 by Western blot analysis				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50336043 (2-(4-(2-(4-(4-cyano-1-methyl-1H-imidazo[4,5-c]pyri...) Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C26H29F3N6O2/c1-33(2)24(36)15-35-9-6-17(7-10-35)8-11-37-23-5-4-18(12-19(23)26(27,28)29)20-13-22-25(21(14-30)32-20)31-16-34(22)3/h4-5,12-13,16-17H,6-11,15H2,1-3H3	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	407	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50336041 (1-methyl-6-(4-(2-(1-(oxazol-2-ylmethyl)piperidin-4...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(Cc3ncco3)CC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C26H25F3N6O2/c1-34-16-32-25-21(14-30)33-20(13-22(25)34)18-2-3-23(19(12-18)26(27,28)29)36-10-6-17-4-8-35(9-5-17)15-24-31-7-11-37-24/h2-3,7,11-13,16-17H,4-6,8-10,15H2,1H3	PDB 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	708	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50323247 (6-(4-(3-(dimethylamino)propoxy)-3-(trifluoromethyl...) Show SMILES CN(C)CCCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N Show InChI InChI=1S/C20H20F3N5O/c1-27(2)7-4-8-29-18-6-5-13(9-14(18)20(21,22)23)15-10-17-19(16(11-24)26-15)25-12-28(17)3/h5-6,9-10,12H,4,7-8H2,1-3H3	PDB 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	776	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50336045 (1-methyl-6-(4-(2-(1-((5-methyl-1,3,4-oxadiazol-2-y...) Show SMILES Cc1nnc(CN2CCC(CCOc3ccc(cc3C(F)(F)F)-c3cc4n(C)cnc4c(n3)C#N)CC2)o1 Show InChI InChI=1S/C26H26F3N7O2/c1-16-33-34-24(38-16)14-36-8-5-17(6-9-36)7-10-37-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)32-20)31-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3	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	813	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50336046 (1-methyl-6-(4-(2-(1-((3-methyl-1,2,4-oxadiazol-5-y...) Show SMILES Cc1noc(CN2CCC(CCOc3ccc(cc3C(F)(F)F)-c3cc4n(C)cnc4c(n3)C#N)CC2)n1 Show InChI InChI=1S/C26H26F3N7O2/c1-16-32-24(38-34-16)14-36-8-5-17(6-9-36)7-10-37-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)33-20)31-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3	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	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323253 (1-methyl-6-(4-(2-(2-oxopyrrolidin-1-yl)ethoxy)-3-(...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCN2CCCC2=O)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C21H18F3N5O2/c1-28-12-26-20-16(11-25)27-15(10-17(20)28)13-4-5-18(14(9-13)21(22,23)24)31-8-7-29-6-2-3-19(29)30/h4-5,9-10,12H,2-3,6-8H2,1H3	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	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells assessed as accumulation of lip10 by Western blot analysis				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50336047 (6-(4-(2-(1-acetylpiperidin-4-yl)ethoxy)-3-(trifluo...) Show SMILES CC(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H24F3N5O2/c1-15(33)32-8-5-16(6-9-32)7-10-34-22-4-3-17(11-18(22)24(25,26)27)19-12-21-23(20(13-28)30-19)29-14-31(21)2/h3-4,11-12,14,16H,5-10H2,1-2H3	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	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50336048 (1-methyl-6-(4-(2-(1-(methylsulfonyl)piperidin-4-yl...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(CC2)S(C)(=O)=O)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C23H24F3N5O3S/c1-30-14-28-22-19(13-27)29-18(12-20(22)30)16-3-4-21(17(11-16)23(24,25)26)34-10-7-15-5-8-31(9-6-15)35(2,32)33/h3-4,11-12,14-15H,5-10H2,1-2H3	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	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50336045 (1-methyl-6-(4-(2-(1-((5-methyl-1,3,4-oxadiazol-2-y...) Show SMILES Cc1nnc(CN2CCC(CCOc3ccc(cc3C(F)(F)F)-c3cc4n(C)cnc4c(n3)C#N)CC2)o1 Show InChI InChI=1S/C26H26F3N7O2/c1-16-33-34-24(38-16)14-36-8-5-17(6-9-36)7-10-37-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)32-20)31-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50336046 (1-methyl-6-(4-(2-(1-((3-methyl-1,2,4-oxadiazol-5-y...) Show SMILES Cc1noc(CN2CCC(CCOc3ccc(cc3C(F)(F)F)-c3cc4n(C)cnc4c(n3)C#N)CC2)n1 Show InChI InChI=1S/C26H26F3N7O2/c1-16-32-24(38-34-16)14-36-8-5-17(6-9-36)7-10-37-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)33-20)31-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50336047 (6-(4-(2-(1-acetylpiperidin-4-yl)ethoxy)-3-(trifluo...) Show SMILES CC(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H24F3N5O2/c1-15(33)32-8-5-16(6-9-32)7-10-34-22-4-3-17(11-18(22)24(25,26)27)19-12-21-23(20(13-28)30-19)29-14-31(21)2/h3-4,11-12,14,16H,5-10H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50336048 (1-methyl-6-(4-(2-(1-(methylsulfonyl)piperidin-4-yl...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(CC2)S(C)(=O)=O)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C23H24F3N5O3S/c1-30-14-28-22-19(13-27)29-18(12-20(22)30)16-3-4-21(17(11-16)23(24,25)26)34-10-7-15-5-8-31(9-6-15)35(2,32)33/h3-4,11-12,14-15H,5-10H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50323247 (6-(4-(3-(dimethylamino)propoxy)-3-(trifluoromethyl...) Show SMILES CN(C)CCCOc1ccc(cc1C(F)(F)F)-c1cc2n(C)cnc2c(n1)C#N Show InChI InChI=1S/C20H20F3N5O/c1-27(2)7-4-8-29-18-6-5-13(9-14(18)20(21,22)23)15-10-17-19(16(11-24)26-15)25-12-28(17)3/h5-6,9-10,12H,4,7-8H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin V				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50323244 (6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluo...) Show SMILES CCN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H27F3N6O/c1-3-32-8-10-33(11-9-32)7-4-12-34-22-6-5-17(13-18(22)24(25,26)27)19-14-21-23(20(15-28)30-19)29-16-31(21)2/h5-6,13-14,16H,3-4,7-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin V				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50323250 (1-methyl-6-(4-(2-(piperidin-4-yl)ethoxy)-3-(triflu...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCNCC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C22H22F3N5O/c1-30-13-28-21-18(12-26)29-17(11-19(21)30)15-2-3-20(16(10-15)22(23,24)25)31-9-6-14-4-7-27-8-5-14/h2-3,10-11,13-14,27H,4-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin V				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50336042 (1-methyl-6-(4-(2-(1-methylpiperidin-4-yl)ethoxy)-3...) Show SMILES CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C23H24F3N5O/c1-30-8-5-15(6-9-30)7-10-32-21-4-3-16(11-17(21)23(24,25)26)18-12-20-22(19(13-27)29-18)28-14-31(20)2/h3-4,11-12,14-15H,5-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin V				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50336043 (2-(4-(2-(4-(4-cyano-1-methyl-1H-imidazo[4,5-c]pyri...) Show SMILES CN(C)C(=O)CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C26H29F3N6O2/c1-33(2)24(36)15-35-9-6-17(7-10-35)8-11-37-23-5-4-18(12-19(23)26(27,28)29)20-13-22-25(21(14-30)32-20)31-16-34(22)3/h4-5,12-13,16-17H,6-11,15H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin V				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50336044 (6-(4-(2-(1-((3,5-dimethylisoxazol-4-yl)methyl)pipe...) Show SMILES Cc1noc(C)c1CN1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C28H29F3N6O2/c1-17-21(18(2)39-35-17)15-37-9-6-19(7-10-37)8-11-38-26-5-4-20(12-22(26)28(29,30)31)23-13-25-27(24(14-32)34-23)33-16-36(25)3/h4-5,12-13,16,19H,6-11,15H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin V				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50336041 (1-methyl-6-(4-(2-(1-(oxazol-2-ylmethyl)piperidin-4...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(Cc3ncco3)CC2)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C26H25F3N6O2/c1-34-16-32-25-21(14-30)33-20(13-22(25)34)18-2-3-23(19(12-18)26(27,28)29)36-10-6-17-4-8-35(9-5-17)15-24-31-7-11-37-24/h2-3,7,11-13,16-17H,4-6,8-10,15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin V				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50336045 (1-methyl-6-(4-(2-(1-((5-methyl-1,3,4-oxadiazol-2-y...) Show SMILES Cc1nnc(CN2CCC(CCOc3ccc(cc3C(F)(F)F)-c3cc4n(C)cnc4c(n3)C#N)CC2)o1 Show InChI InChI=1S/C26H26F3N7O2/c1-16-33-34-24(38-16)14-36-8-5-17(6-9-36)7-10-37-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)32-20)31-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin V				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50336046 (1-methyl-6-(4-(2-(1-((3-methyl-1,2,4-oxadiazol-5-y...) Show SMILES Cc1noc(CN2CCC(CCOc3ccc(cc3C(F)(F)F)-c3cc4n(C)cnc4c(n3)C#N)CC2)n1 Show InChI InChI=1S/C26H26F3N7O2/c1-16-32-24(38-34-16)14-36-8-5-17(6-9-36)7-10-37-23-4-3-18(11-19(23)26(27,28)29)20-12-22-25(21(13-30)33-20)31-15-35(22)2/h3-4,11-12,15,17H,5-10,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin V				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50336047 (6-(4-(2-(1-acetylpiperidin-4-yl)ethoxy)-3-(trifluo...) Show SMILES CC(=O)N1CCC(CCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1 Show InChI InChI=1S/C24H24F3N5O2/c1-15(33)32-8-5-16(6-9-32)7-10-34-22-4-3-17(11-18(22)24(25,26)27)19-12-21-23(20(13-28)30-19)29-14-31(21)2/h3-4,11-12,14,16H,5-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin V				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50336048 (1-methyl-6-(4-(2-(1-(methylsulfonyl)piperidin-4-yl...) Show SMILES Cn1cnc2c(nc(cc12)-c1ccc(OCCC2CCN(CC2)S(C)(=O)=O)c(c1)C(F)(F)F)C#N Show InChI InChI=1S/C23H24F3N5O3S/c1-30-14-28-22-19(13-27)29-18(12-20(22)30)16-3-4-21(17(11-16)23(24,25)26)34-10-7-15-5-8-31(9-6-15)35(2,32)33/h3-4,11-12,14-15H,5-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin V				Bioorg Med Chem Lett 21: 932-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.065 BindingDB Entry DOI: 10.7270/Q2BG2P85
					More data for this Ligand-Target Pair

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