Compile Data Set for Download or QSAR

Found 557 hits with Last Name = 'barrett' and Initial = 'dg'   

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))	BDBM50167296 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-ethylhyd...) Show SMILES CCN(NC(=O)O[C@@H](C)CC1CCCCC1)C#N Show InChI InChI=1S/C13H23N3O2/c1-3-16(10-14)15-13(17)18-11(2)9-12-7-5-4-6-8-12/h11-12H,3-9H2,1-2H3,(H,15,17)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167295 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-propylhy...) Show SMILES CCCN(NC(=O)O[C@@H](C)CC1CCCCC1)C#N Show InChI InChI=1S/C14H25N3O2/c1-3-9-17(11-15)16-14(18)19-12(2)10-13-7-5-4-6-8-13/h12-13H,3-10H2,1-2H3,(H,16,18)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167302 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-isobutyl...) Show SMILES CC(C)CN(NC(=O)O[C@@H](C)CC1CCCCC1)C#N Show InChI InChI=1S/C15H27N3O2/c1-12(2)10-18(11-16)17-15(19)20-13(3)9-14-7-5-4-6-8-14/h12-14H,4-10H2,1-3H3,(H,17,19)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167298 ((1S)-2-cyclohexyl-1-methylethyl 2-benzyl-2-cyanohy...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(Cc1ccccc1)C#N Show InChI InChI=1S/C18H25N3O2/c1-15(12-16-8-4-2-5-9-16)23-18(22)20-21(14-19)13-17-10-6-3-7-11-17/h3,6-7,10-11,15-16H,2,4-5,8-9,12-13H2,1H3,(H,20,22)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167303 ((1S)-2-cyclohexyl-1-methylethyl 2-butyl-2-cyanohyd...) Show SMILES CCCCN(NC(=O)O[C@@H](C)CC1CCCCC1)C#N Show InChI InChI=1S/C15H27N3O2/c1-3-4-10-18(12-16)17-15(19)20-13(2)11-14-8-6-5-7-9-14/h13-14H,3-11H2,1-2H3,(H,17,19)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167289 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-methylhy...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N Show InChI InChI=1S/C12H21N3O2/c1-10(8-11-6-4-3-5-7-11)17-12(16)14-15(2)9-13/h10-11H,3-8H2,1-2H3,(H,14,16)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167290 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-isopropy...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C#N)C(C)C Show InChI InChI=1S/C14H25N3O2/c1-11(2)17(10-15)16-14(18)19-12(3)9-13-7-5-4-6-8-13/h11-13H,4-9H2,1-3H3,(H,16,18)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50167289 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-methylhy...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N Show InChI InChI=1S/C12H21N3O2/c1-10(8-11-6-4-3-5-7-11)17-12(16)14-15(2)9-13/h10-11H,3-8H2,1-2H3,(H,14,16)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167288 ((1S)-1-benzylpropyl 2-cyano-2-methylhydrazinecarbo...) Show SMILES CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N Show InChI InChI=1S/C13H17N3O2/c1-3-12(9-11-7-5-4-6-8-11)18-13(17)15-16(2)10-14/h4-8,12H,3,9H2,1-2H3,(H,15,17)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50167288 ((1S)-1-benzylpropyl 2-cyano-2-methylhydrazinecarbo...) Show SMILES CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N Show InChI InChI=1S/C13H17N3O2/c1-3-12(9-11-7-5-4-6-8-11)18-13(17)15-16(2)10-14/h4-8,12H,3,9H2,1-2H3,(H,15,17)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Rattus norvegicus)	BDBM50167288 ((1S)-1-benzylpropyl 2-cyano-2-methylhydrazinecarbo...) Show SMILES CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N Show InChI InChI=1S/C13H17N3O2/c1-3-12(9-11-7-5-4-6-8-11)18-13(17)15-16(2)10-14/h4-8,12H,3,9H2,1-2H3,(H,15,17)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against rat cathepsin K				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50167289 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-methylhy...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N Show InChI InChI=1S/C12H21N3O2/c1-10(8-11-6-4-3-5-7-11)17-12(16)14-15(2)9-13/h10-11H,3-8H2,1-2H3,(H,14,16)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin B in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50167288 ((1S)-1-benzylpropyl 2-cyano-2-methylhydrazinecarbo...) Show SMILES CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N Show InChI InChI=1S/C13H17N3O2/c1-3-12(9-11-7-5-4-6-8-11)18-13(17)15-16(2)10-14/h4-8,12H,3,9H2,1-2H3,(H,15,17)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin B in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Pro-cathepsin H (Homo sapiens (Human))	BDBM50167290 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-isopropy...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C#N)C(C)C Show InChI InChI=1S/C14H25N3O2/c1-11(2)17(10-15)16-14(18)19-12(3)9-13-7-5-4-6-8-13/h11-13H,4-9H2,1-3H3,(H,16,18)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin H using L-Arg-b-naphthalamide				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50167290 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-isopropy...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C#N)C(C)C Show InChI InChI=1S/C14H25N3O2/c1-11(2)17(10-15)16-14(18)19-12(3)9-13-7-5-4-6-8-13/h11-13H,4-9H2,1-3H3,(H,16,18)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50607111 (CHEMBL5218807) Show SMILES Cc1c(Br)cc(NC(=O)NS(O)(=O)=O)cc1Br Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01143 BindingDB Entry DOI: 10.7270/Q2BK1HGF
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50167290 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-isopropy...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C#N)C(C)C Show InChI InChI=1S/C14H25N3O2/c1-11(2)17(10-15)16-14(18)19-12(3)9-13-7-5-4-6-8-13/h11-13H,4-9H2,1-3H3,(H,16,18)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin B in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Pro-cathepsin H (Homo sapiens (Human))	BDBM50167289 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-methylhy...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N Show InChI InChI=1S/C12H21N3O2/c1-10(8-11-6-4-3-5-7-11)17-12(16)14-15(2)9-13/h10-11H,3-8H2,1-2H3,(H,14,16)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin H using L-Arg-b-naphthalamide				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50163832 ((1S)-2-cyclohexyl-1-methylethyl (2S)-1-cyanopyrrol...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)C1CCCN1C#N Show InChI InChI=1S/C15H24N2O2/c1-12(10-13-6-3-2-4-7-13)19-15(18)14-8-5-9-17(14)11-16/h12-14H,2-10H2,1H3/t12-,14?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167297 ((Cyano-methyl-amino)-acetic acid (S)-2-cyclohexyl-...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)CN(C)C#N Show InChI InChI=1S/C13H22N2O2/c1-11(8-12-6-4-3-5-7-12)17-13(16)9-15(2)10-14/h11-12H,3-9H2,1-2H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167291 (CHEMBL363610 | tert-butyl (2S)-1-cyanopyrrolidine-...) Show SMILES CC(C)(C)OC(=O)C1CCCN1C#N Show InChI InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)8-5-4-6-12(8)7-11/h8H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167305 ((1S)-2-cyclohexyl-1-methylethyl 2-cyano-1,2-dimeth...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)N(C)N(C)C#N Show InChI InChI=1S/C13H23N3O2/c1-11(9-12-7-5-4-6-8-12)18-13(17)16(3)15(2)10-14/h11-12H,4-9H2,1-3H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167292 (2-(Cyano-methyl-amino)-N-((S)-2-cyclohexyl-1-methy...) Show SMILES C[C@@H](CC1CCCCC1)NC(=O)CN(C)C#N Show InChI InChI=1S/C13H23N3O/c1-11(8-12-6-4-3-5-7-12)15-13(17)9-16(2)10-14/h11-12H,3-9H2,1-2H3,(H,15,17)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50167297 ((Cyano-methyl-amino)-acetic acid (S)-2-cyclohexyl-...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)CN(C)C#N Show InChI InChI=1S/C13H22N2O2/c1-11(8-12-6-4-3-5-7-12)17-13(16)9-15(2)10-14/h11-12H,3-9H2,1-2H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167304 ((1S)-2-cyclohexyl-1-methylethyl 2-tert-butyl-2-cya...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C#N)C(C)(C)C Show InChI InChI=1S/C15H27N3O2/c1-12(10-13-8-6-5-7-9-13)20-14(19)17-18(11-16)15(2,3)4/h12-13H,5-10H2,1-4H3,(H,17,19)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50095495 (CHEMBL262697 | Pyrrolidine-1-carbonitrile) Show SMILES N#CN1CCCC1 Show InChI InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167294 ((S)-2-(Cyano-methyl-amino)-propionic acid (S)-2-cy...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)[C@H](C)N(C)C#N Show InChI InChI=1S/C14H24N2O2/c1-11(9-13-7-5-4-6-8-13)18-14(17)12(2)16(3)10-15/h11-13H,4-9H2,1-3H3/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50167297 ((Cyano-methyl-amino)-acetic acid (S)-2-cyclohexyl-...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)CN(C)C#N Show InChI InChI=1S/C13H22N2O2/c1-11(8-12-6-4-3-5-7-12)17-13(16)9-15(2)10-14/h11-12H,3-9H2,1-2H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin B in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167299 (CHEMBL191367 | Cyanomethyl-carbamic acid (S)-2-cyc...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NCC#N Show InChI InChI=1S/C12H20N2O2/c1-10(16-12(15)14-8-7-13)9-11-5-3-2-4-6-11/h10-11H,2-6,8-9H2,1H3,(H,14,15)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167300 (((R)-Cyano-methyl-methyl)-carbamic acid (S)-2-cycl...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)N[C@H](C)C#N Show InChI InChI=1S/C13H22N2O2/c1-10(9-14)15-13(16)17-11(2)8-12-6-4-3-5-7-12/h10-12H,3-8H2,1-2H3,(H,15,16)/t10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Pro-cathepsin H (Homo sapiens (Human))	BDBM50167297 ((Cyano-methyl-amino)-acetic acid (S)-2-cyclohexyl-...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)CN(C)C#N Show InChI InChI=1S/C13H22N2O2/c1-11(8-12-6-4-3-5-7-12)17-13(16)9-15(2)10-14/h11-12H,3-9H2,1-2H3/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin H using L-Arg-b-naphthalamide				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167293 ((R)-2-(Cyano-methyl-amino)-propionic acid (S)-2-cy...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)[C@@H](C)N(C)C#N Show InChI InChI=1S/C14H24N2O2/c1-11(9-13-7-5-4-6-8-13)18-14(17)12(2)16(3)10-15/h11-13H,4-9H2,1-3H3/t11-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50167301 (((S)-Cyano-methyl-methyl)-carbamic acid (S)-2-cycl...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)N[C@@H](C)C#N Show InChI InChI=1S/C13H22N2O2/c1-10(9-14)15-13(16)17-11(2)8-12-6-4-3-5-7-12/h10-12H,3-8H2,1-2H3,(H,15,16)/t10-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 3039-43 (2005) Article DOI: 10.1016/j.bmcl.2005.04.032 BindingDB Entry DOI: 10.7270/Q2MS3S8C
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19783 ((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 |r| Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)33-22-12-14-31-34-22)32-25(39)40-21(26(2,3)4)16-36-15-13-19(35-36)17-8-10-18(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t20-,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	0.0720	n/a	n/a	n/a	n/a	5.5	22
GSK					Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...				Bioorg Med Chem Lett 17: 22-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.102 BindingDB Entry DOI: 10.7270/Q2NZ85XC
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19783 ((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 |r| Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)33-22-12-14-31-34-22)32-25(39)40-21(26(2,3)4)16-36-15-13-19(35-36)17-8-10-18(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t20-,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	0.210	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...				Bioorg Med Chem Lett 17: 22-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.102 BindingDB Entry DOI: 10.7270/Q2NZ85XC
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177501 (CHEMBL203663 | {(S)-1-[(morpholine-4-carbonyl)-hyd...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=NNC(=O)N1CCOCC1 |w:21.22| Show InChI InChI=1S/C23H36N4O4/c1-4-5-11-20(17-24-26-22(28)27-12-14-30-15-13-27)25-23(29)31-21(18(2)3)16-19-9-7-6-8-10-19/h6-10,17-18,20-21H,4-5,11-16H2,1-3H3,(H,25,29)(H,26,28)/t20-,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	0.330	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50148292 (((S)-1-Formyl-pentyl)-carbamic acid 1-benzyl-cyclo...) Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=O Show InChI InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin K (Homo sapiens (Human))	BDBM50179446 ((S)-4,4-dimethyl-2-oxo-1-((4-(trifluoromethyl)phen...) Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)Nc1ccc(cc1)C(F)(F)F)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C25H29F3N6O6/c1-4-5-6-16(18(35)20(36)32-17-11-12-29-33-17)31-23(39)40-19-21(37)34(13-24(19,2)3)22(38)30-15-9-7-14(8-10-15)25(26,27)28/h7-12,16,19H,4-6,13H2,1-3H3,(H,30,38)(H,31,39)(H2,29,32,33,36)/t16-,19+/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	0.420	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay				Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50148298 (((S)-1-Formyl-pentyl)-carbamic acid (R)-1-benzyl-2...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C=O Show InChI InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin K (Homo sapiens (Human))	BDBM50179439 ((S)-1-(benzo[d]thiazole-2-carbonyl)-4,4-dimethyl-2...) Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)c1nc2ccccc2s1)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C25H28N6O6S/c1-4-5-8-15(18(32)20(33)29-17-11-12-26-30-17)28-24(36)37-19-22(34)31(13-25(19,2)3)23(35)21-27-14-9-6-7-10-16(14)38-21/h6-7,9-12,15,19H,4-5,8,13H2,1-3H3,(H,28,36)(H2,26,29,30,33)/t15-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay				Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50152524 ((S)-(1-(4-fluorobenzyl)cyclobutyl)methyl 1-(1H-pyr...) Show SMILES CCCC[C@H](NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C23H29FN4O4/c1-2-3-5-18(20(29)21(30)27-19-10-13-25-28-19)26-22(31)32-15-23(11-4-12-23)14-16-6-8-17(24)9-7-16/h6-10,13,18H,2-5,11-12,14-15H2,1H3,(H,26,31)(H2,25,27,28,30)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 14: 4897-902 (2004) Article DOI: 10.1016/j.bmcl.2004.07.031 BindingDB Entry DOI: 10.7270/Q26W99JR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin K (Homo sapiens (Human))	BDBM50177494 (CHEMBL204605 | {(S)-1-[(morpholine-4-carbonyl)-hyd...) Show SMILES CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=NNC(=O)N1CCOCC1 |w:19.20| Show InChI InChI=1S/C21H32N4O4/c1-3-4-10-19(16-22-24-20(26)25-11-13-28-14-12-25)23-21(27)29-17(2)15-18-8-6-5-7-9-18/h5-9,16-17,19H,3-4,10-15H2,1-2H3,(H,23,27)(H,24,26)/t17-,19-/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	0.940	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50179454 ((S)-4,4-dimethyl-2-oxo-1-(2-(trifluoromethyl)-1,3,...) Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)c1nnc(s1)C(F)(F)F)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C21H24F3N7O6S/c1-4-5-6-10(12(32)14(33)27-11-7-8-25-28-11)26-19(36)37-13-16(34)31(9-20(13,2)3)17(35)15-29-30-18(38-15)21(22,23)24/h7-8,10,13H,4-6,9H2,1-3H3,(H,26,36)(H2,25,27,28,33)/t10-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay				Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50139496 ((R)-4,4-dimethyl-1-phenylpentan-3-yl(S)-1,2-dioxo-...) Show SMILES CCCC[C@H](NC(=O)O[C@H](CCc1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C29H40N2O4/c1-6-7-18-24(26(32)27(33)30-21(2)23-16-12-9-13-17-23)31-28(34)35-25(29(3,4)5)20-19-22-14-10-8-11-15-22/h8-17,21,24-25H,6-7,18-20H2,1-5H3,(H,30,33)(H,31,34)/t21-,24+,25-/m1/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 14: 4897-902 (2004) Article DOI: 10.1016/j.bmcl.2004.07.031 BindingDB Entry DOI: 10.7270/Q26W99JR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50177503 (CHEMBL426308 | {(S)-1-[(2,3-dihydro-indole-1-carbo...) Show SMILES CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCCC1)C=NN=C(O)N1CCc2ccccc12 |w:23.24| Show InChI InChI=1S/C28H36N4O3/c1-2-3-14-24(21-29-31-26(33)32-19-16-23-13-7-8-15-25(23)32)30-27(34)35-28(17-9-10-18-28)20-22-11-5-4-6-12-22/h4-8,11-13,15,21,24H,2-3,9-10,14,16-20H2,1H3,(H,30,34)(H,31,33)/t24-/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19793 ((2S)-1-(5,6-dichloro-1H-1,3-benzodiazol-1-yl)-3,3-...) Show SMILES C[C@H](NC(=O)O[C@H](Cn1cnc2cc(Cl)c(Cl)cc12)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C23H27Cl2N5O5S/c1-14(19(31)11-28-36(33,34)21-7-5-6-8-26-21)29-22(32)35-20(23(2,3)4)12-30-13-27-17-9-15(24)16(25)10-18(17)30/h5-10,13-14,20,28H,11-12H2,1-4H3,(H,29,32)/t14-,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	n/a	n/a	1.40	n/a	n/a	n/a	n/a	5.5	22
GSK					Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...				Bioorg Med Chem Lett 17: 22-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.102 BindingDB Entry DOI: 10.7270/Q2NZ85XC
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50179458 ((S)-1-(2-naphthoyl)-4,4-dimethyl-2-oxopyrrolidin-3...) Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)c1ccc2ccccc2c1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C33H37N3O6/c1-5-6-16-26(27(37)29(38)34-21(2)22-12-8-7-9-13-22)35-32(41)42-28-31(40)36(20-33(28,3)4)30(39)25-18-17-23-14-10-11-15-24(23)19-25/h7-15,17-19,21,26,28H,5-6,16,20H2,1-4H3,(H,34,38)(H,35,41)/t21-,26+,28-/m1/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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay				Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50179438 ((S)-1-(1H-indole-5-carbonyl)-4,4-dimethyl-2-oxopyr...) Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)c1ccc2[nH]ccc2c1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C31H36N4O6/c1-5-6-12-24(25(36)27(37)33-19(2)20-10-8-7-9-11-20)34-30(40)41-26-29(39)35(18-31(26,3)4)28(38)22-13-14-23-21(17-22)15-16-32-23/h7-11,13-17,19,24,26,32H,5-6,12,18H2,1-4H3,(H,33,37)(H,34,40)/t19-,24+,26-/m1/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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay				Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50148296 (((S)-1-Formyl-pentyl)-carbamic acid (S)-1-methyl-2...) Show SMILES CCCC[C@H](NC(=O)O[C@@H](C)Cc1ccccc1)C=O Show InChI InChI=1S/C16H23NO3/c1-3-4-10-15(12-18)17-16(19)20-13(2)11-14-8-6-5-7-9-14/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,17,19)/t13-,15-/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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin K (Homo sapiens (Human))	BDBM50179437 ((S)-4,4-dimethyl-2-oxo-3-[(S)-1-((R)-1-phenyl-ethy...) Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)OCc1ccc(cc1)-c1ccccc1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C36H41N3O7/c1-5-6-17-29(30(40)32(41)37-24(2)26-13-9-7-10-14-26)38-34(43)46-31-33(42)39(23-36(31,3)4)35(44)45-22-25-18-20-28(21-19-25)27-15-11-8-12-16-27/h7-16,18-21,24,29,31H,5-6,17,22-23H2,1-4H3,(H,37,41)(H,38,43)/t24-,29+,31-/m1/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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K by fluorescence assay				Bioorg Med Chem Lett 16: 1735-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.101 BindingDB Entry DOI: 10.7270/Q23J3CJX
					More data for this Ligand-Target Pair

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