Compile Data Set for Download or QSAR

Found 158 hits Enz. Inhib. hit(s) with all data for entry = 2377   

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))	BDBM19856 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1...) Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1 |r| Show InChI InChI=1S/C24H30N4O/c1-18(2)16-23(24(29)27-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)28-14-12-26-13-15-28/h3-9,17-18,23,26H,11-16H2,1-2H3,(H,27,29)/t23-/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	3	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19885 ((2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpip...) Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1 |r| Show InChI InChI=1S/C25H32N4O/c1-19(2)17-24(25(30)27-12-11-26)22-6-4-5-21(18-22)20-7-9-23(10-8-20)29-15-13-28(3)14-16-29/h4-10,18-19,24H,12-17H2,1-3H3,(H,27,30)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19893 ((2R)-N-(cyanomethyl)-2-(3-{4-[4-(2-hydroxy-2-methy...) Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)(C)O)CC1 |r| Show InChI InChI=1S/C28H38N4O2/c1-21(2)18-26(27(33)30-13-12-29)24-7-5-6-23(19-24)22-8-10-25(11-9-22)32-16-14-31(15-17-32)20-28(3,4)34/h5-11,19,21,26,34H,13-18,20H2,1-4H3,(H,30,33)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19880 ((2R)-N-(cyanomethyl)-2-[3-(1H-indol-5-yl)phenyl]-4...) Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C22H23N3O/c1-15(2)12-20(22(26)25-11-9-23)18-5-3-4-16(13-18)17-6-7-21-19(14-17)8-10-24-21/h3-8,10,13-15,20,24H,11-12H2,1-2H3,(H,25,26)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19884 (N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazi...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C25H32N4O/c1-19(2)17-24(25(30)27-12-11-26)22-6-4-5-21(18-22)20-7-9-23(10-8-20)29-15-13-28(3)14-16-29/h4-10,18-19,24H,12-17H2,1-3H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19883 (N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)p...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H30N4O/c1-18(2)16-23(24(29)27-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)28-14-12-26-13-15-28/h3-9,17-18,23,26H,11-16H2,1-2H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19890 ((2R)-N-(cyanomethyl)-4-methyl-2-(3-{4-[4-(2-oxopro...) Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)=O)CC1 |r| Show InChI InChI=1S/C27H34N4O2/c1-20(2)17-26(27(33)29-12-11-28)24-6-4-5-23(18-24)22-7-9-25(10-8-22)31-15-13-30(14-16-31)19-21(3)32/h4-10,18,20,26H,12-17,19H2,1-3H3,(H,29,33)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19892 ((2R)-N-(cyanomethyl)-2-(3-{4-[4-(2-hydroxyethyl)pi...) Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CCO)CC1 |r| Show InChI InChI=1S/C26H34N4O2/c1-20(2)18-25(26(32)28-11-10-27)23-5-3-4-22(19-23)21-6-8-24(9-7-21)30-14-12-29(13-15-30)16-17-31/h3-9,19-20,25,31H,11-18H2,1-2H3,(H,28,32)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19894 ((2R)-2-(3-{4-[4-(2-amino-2-methylpropyl)piperazin-...) Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)(C)N)CC1 |r| Show InChI InChI=1S/C28H39N5O/c1-21(2)18-26(27(34)31-13-12-29)24-7-5-6-23(19-24)22-8-10-25(11-9-22)33-16-14-32(15-17-33)20-28(3,4)30/h5-11,19,21,26H,13-18,20,30H2,1-4H3,(H,31,34)/t26-/m1/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	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19887 (N-(cyanomethyl)-4-methyl-2-{3-[4-(piperidin-4-yl)p...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C25H31N3O/c1-18(2)16-24(25(29)28-15-12-26)23-5-3-4-22(17-23)20-8-6-19(7-9-20)21-10-13-27-14-11-21/h3-9,17-18,21,24,27H,10-11,13-16H2,1-2H3,(H,28,29)	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	18	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19891 ((2R)-2-{3-[4-(4-tert-butylpiperazin-1-yl)phenyl]ph...) Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC1)C(C)(C)C |r| Show InChI InChI=1S/C28H38N4O/c1-21(2)19-26(27(33)30-14-13-29)24-8-6-7-23(20-24)22-9-11-25(12-10-22)31-15-17-32(18-16-31)28(3,4)5/h6-12,20-21,26H,14-19H2,1-5H3,(H,30,33)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19888 ((2R)-2-[3-(4-{1-azabicyclo[2.2.2]octan-4-yl}phenyl...) Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)C12CCN(CC1)CC2 |r| Show InChI InChI=1S/C27H33N3O/c1-20(2)18-25(26(31)29-14-13-28)23-5-3-4-22(19-23)21-6-8-24(9-7-21)27-10-15-30(16-11-27)17-12-27/h3-9,19-20,25H,10-12,14-18H2,1-2H3,(H,29,31)/t25-/m1/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	37	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19861 ((2S)-N-(cyanomethyl)-4-methyl-2-(phenylformamido)p...) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C15H19N3O2/c1-11(2)10-13(15(20)17-9-8-16)18-14(19)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19861 ((2S)-N-(cyanomethyl)-4-methyl-2-(phenylformamido)p...) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C15H19N3O2/c1-11(2)10-13(15(20)17-9-8-16)18-14(19)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19899 ((4S)-N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpip...) Show SMILES CC[C@H](C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1 |r| Show InChI InChI=1S/C26H34N4O/c1-4-20(2)18-25(26(31)28-13-12-27)23-7-5-6-22(19-23)21-8-10-24(11-9-21)30-16-14-29(3)15-17-30/h5-11,19-20,25H,4,13-18H2,1-3H3,(H,28,31)/t20-,25?/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	51	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19861 ((2S)-N-(cyanomethyl)-4-methyl-2-(phenylformamido)p...) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C15H19N3O2/c1-11(2)10-13(15(20)17-9-8-16)18-14(19)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19878 (N-(cyanomethyl)-2-[3-(1H-indol-5-yl)phenyl]-4-meth...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C22H23N3O/c1-15(2)12-20(22(26)25-11-9-23)18-5-3-4-16(13-18)17-6-7-21-19(14-17)8-10-24-21/h3-8,10,13-15,20,24H,11-12H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19862 (N-(cyanomethyl)-4-methyl-2-(3-phenylphenyl)pentana...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H22N2O/c1-15(2)13-19(20(23)22-12-11-21)18-10-6-9-17(14-18)16-7-4-3-5-8-16/h3-10,14-15,19H,12-13H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19886 (N-(cyanomethyl)-4-methyl-2-{3-[4-(1,2,3,6-tetrahyd...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)C1=CCNCC1 |t:25| Show InChI InChI=1S/C25H29N3O/c1-18(2)16-24(25(29)28-15-12-26)23-5-3-4-22(17-23)20-8-6-19(7-9-20)21-10-13-27-14-11-21/h3-10,17-18,24,27H,11,13-16H2,1-2H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19882 (N-(cyanomethyl)-4-methyl-2-{3-[2-(piperazin-1-yl)p...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1N1CCNCC1 Show InChI InChI=1S/C24H30N4O/c1-18(2)16-22(24(29)27-11-10-25)20-7-5-6-19(17-20)21-8-3-4-9-23(21)28-14-12-26-13-15-28/h3-9,17-18,22,26H,11-16H2,1-2H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19900 (N-(cyanomethyl)-3-cyclobutyl-2-{3-[4-(4-methylpipe...) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(CC1CCC1)C(=O)NCC#N Show InChI InChI=1S/C26H32N4O/c1-29-14-16-30(17-15-29)24-10-8-21(9-11-24)22-6-3-7-23(19-22)25(18-20-4-2-5-20)26(31)28-13-12-27/h3,6-11,19-20,25H,2,4-5,13-18H2,1H3,(H,28,31)	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	62	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19898 (N-(cyanomethyl)-3-cyclopropyl-2-{3-[4-(4-methylpip...) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(CC1CC1)C(=O)NCC#N Show InChI InChI=1S/C25H30N4O/c1-28-13-15-29(16-14-28)23-9-7-20(8-10-23)21-3-2-4-22(18-21)24(17-19-5-6-19)25(30)27-12-11-26/h2-4,7-10,18-19,24H,5-6,12-17H2,1H3,(H,27,30)	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	65	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19879 ((2S)-N-(cyanomethyl)-2-[3-(1H-indol-5-yl)phenyl]-4...) Show SMILES CC(C)C[C@H](C(=O)NCC#N)c1cccc(c1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C22H23N3O/c1-15(2)12-20(22(26)25-11-9-23)18-5-3-4-16(13-18)17-6-7-21-19(14-17)8-10-24-21/h3-8,10,13-15,20,24H,11-12H2,1-2H3,(H,25,26)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19897 (N-(cyanomethyl)-2-{3-[4-(4-methylpiperazin-1-yl)ph...) Show SMILES CCCC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C24H30N4O/c1-3-5-23(24(29)26-13-12-25)21-7-4-6-20(18-21)19-8-10-22(11-9-19)28-16-14-27(2)15-17-28/h4,6-11,18,23H,3,5,13-17H2,1-2H3,(H,26,29)	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	87	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19876 ((2R)-N-(Cyanomethyl)-4-methyl-2-[4 -(4-pyridinyl)[...) Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)-c1ccncc1 |r| Show InChI InChI=1S/C25H25N3O/c1-18(2)16-24(25(29)28-15-12-26)23-5-3-4-22(17-23)20-8-6-19(7-9-20)21-10-13-27-14-11-21/h3-11,13-14,17-18,24H,15-16H2,1-2H3,(H,28,29)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19892 ((2R)-N-(cyanomethyl)-2-(3-{4-[4-(2-hydroxyethyl)pi...) Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CCO)CC1 |r| Show InChI InChI=1S/C26H34N4O2/c1-20(2)18-25(26(32)28-11-10-27)23-5-3-4-22(19-23)21-6-8-24(9-7-21)30-14-12-29(13-15-30)16-17-31/h3-9,19-20,25,31H,11-18H2,1-2H3,(H,28,32)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19864 (N-(cyanomethyl)-4-methyl-2-(5-phenylpyridin-3-yl)p...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cncc(c1)-c1ccccc1 Show InChI InChI=1S/C19H21N3O/c1-14(2)10-18(19(23)22-9-8-20)17-11-16(12-21-13-17)15-6-4-3-5-7-15/h3-7,11-14,18H,9-10H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19875 (N-(cyanomethyl)-4-methyl-2-[3-(pyridin-4-yl)phenyl...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccncc1 Show InChI InChI=1S/C19H21N3O/c1-14(2)12-18(19(23)22-11-8-20)17-5-3-4-16(13-17)15-6-9-21-10-7-15/h3-7,9-10,13-14,18H,11-12H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19881 (N-(cyanomethyl)-4-methyl-2-{3-[3-(piperazin-1-yl)p...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)N1CCNCC1 Show InChI InChI=1S/C24H30N4O/c1-18(2)15-23(24(29)27-10-9-25)21-7-3-5-19(16-21)20-6-4-8-22(17-20)28-13-11-26-12-14-28/h3-8,16-18,23,26H,10-15H2,1-2H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	216	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19877 (N-(cyanomethyl)-2-[3-(1H-indol-6-yl)phenyl]-4-meth...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C22H23N3O/c1-15(2)12-20(22(26)25-11-9-23)19-5-3-4-17(13-19)18-7-6-16-8-10-24-21(16)14-18/h3-8,10,13-15,20,24H,11-12H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	291	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19882 (N-(cyanomethyl)-4-methyl-2-{3-[2-(piperazin-1-yl)p...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1N1CCNCC1 Show InChI InChI=1S/C24H30N4O/c1-18(2)16-22(24(29)27-11-10-25)20-7-5-6-19(17-20)21-8-3-4-9-23(21)28-14-12-26-13-15-28/h3-9,17-18,22,26H,11-16H2,1-2H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	338	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM19891 ((2R)-2-{3-[4-(4-tert-butylpiperazin-1-yl)phenyl]ph...) Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC1)C(C)(C)C |r| Show InChI InChI=1S/C28H38N4O/c1-21(2)19-26(27(33)30-14-13-29)24-8-6-7-23(20-24)22-9-11-25(12-10-22)31-15-17-32(18-16-31)28(3,4)5/h6-12,20-21,26H,14-19H2,1-5H3,(H,30,33)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	379	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19874 (N-(cyanomethyl)-4-methyl-2-[3-(pyridin-3-yl)phenyl...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C19H21N3O/c1-14(2)11-18(19(23)22-10-8-20)16-6-3-5-15(12-16)17-7-4-9-21-13-17/h3-7,9,12-14,18H,10-11H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	488	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19862 (N-(cyanomethyl)-4-methyl-2-(3-phenylphenyl)pentana...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H22N2O/c1-15(2)13-19(20(23)22-12-11-21)18-10-6-9-17(14-18)16-7-4-3-5-8-16/h3-10,14-15,19H,12-13H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	498	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19882 (N-(cyanomethyl)-4-methyl-2-{3-[2-(piperazin-1-yl)p...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1N1CCNCC1 Show InChI InChI=1S/C24H30N4O/c1-18(2)16-22(24(29)27-11-10-25)20-7-5-6-19(17-20)21-8-3-4-9-23(21)28-14-12-26-13-15-28/h3-9,17-18,22,26H,11-16H2,1-2H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	521	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM19890 ((2R)-N-(cyanomethyl)-4-methyl-2-(3-{4-[4-(2-oxopro...) Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)=O)CC1 |r| Show InChI InChI=1S/C27H34N4O2/c1-20(2)17-26(27(33)29-12-11-28)24-6-4-5-23(18-24)22-7-9-25(10-8-22)31-15-13-30(14-16-31)19-21(3)32/h4-10,18,20,26H,12-17,19H2,1-3H3,(H,29,33)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM19886 (N-(cyanomethyl)-4-methyl-2-{3-[4-(1,2,3,6-tetrahyd...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)C1=CCNCC1 |t:25| Show InChI InChI=1S/C25H29N3O/c1-18(2)16-24(25(29)28-15-12-26)23-5-3-4-22(17-23)20-8-6-19(7-9-20)21-10-13-27-14-11-21/h3-10,17-18,24,27H,11,13-16H2,1-2H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	554	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19892 ((2R)-N-(cyanomethyl)-2-(3-{4-[4-(2-hydroxyethyl)pi...) Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CCO)CC1 |r| Show InChI InChI=1S/C26H34N4O2/c1-20(2)18-25(26(32)28-11-10-27)23-5-3-4-22(19-23)21-6-8-24(9-7-21)30-14-12-29(13-15-30)16-17-31/h3-9,19-20,25,31H,11-18H2,1-2H3,(H,28,32)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	609	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19871 (N-(cyanomethyl)-4-methyl-2-{3-[2-(morpholin-4-yl)p...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1N1CCOCC1 Show InChI InChI=1S/C24H29N3O2/c1-18(2)16-22(24(28)26-11-10-25)20-7-5-6-19(17-20)21-8-3-4-9-23(21)27-12-14-29-15-13-27/h3-9,17-18,22H,11-16H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	614	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19870 (N-(cyanomethyl)-4-methyl-2-{3-[3-(morpholin-4-yl)p...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)N1CCOCC1 Show InChI InChI=1S/C24H29N3O2/c1-18(2)15-23(24(28)26-10-9-25)21-7-3-5-19(16-21)20-6-4-8-22(17-20)27-11-13-29-14-12-27/h3-8,16-18,23H,10-15H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19869 (N-(cyanomethyl)-4-methyl-2-{3-[4-(morpholin-4-yl)p...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C24H29N3O2/c1-18(2)16-23(24(28)26-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)27-12-14-29-15-13-27/h3-9,17-18,23H,11-16H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	638	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19886 (N-(cyanomethyl)-4-methyl-2-{3-[4-(1,2,3,6-tetrahyd...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)C1=CCNCC1 |t:25| Show InChI InChI=1S/C25H29N3O/c1-18(2)16-24(25(29)28-15-12-26)23-5-3-4-22(17-23)20-8-6-19(7-9-20)21-10-13-27-14-11-21/h3-10,17-18,24,27H,11,13-16H2,1-2H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	652	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19863 (N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentana...) Show SMILES CC(C)CC(C(=O)NCC#N)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H22N2O/c1-15(2)14-19(20(23)22-13-12-21)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,19H,13-14H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19873 (N-(cyanomethyl)-4-methyl-2-[3-(pyridin-2-yl)phenyl...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccn1 Show InChI InChI=1S/C19H21N3O/c1-14(2)12-17(19(23)22-11-9-20)15-6-5-7-16(13-15)18-8-3-4-10-21-18/h3-8,10,13-14,17H,11-12H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	803	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19864 (N-(cyanomethyl)-4-methyl-2-(5-phenylpyridin-3-yl)p...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cncc(c1)-c1ccccc1 Show InChI InChI=1S/C19H21N3O/c1-14(2)10-18(19(23)22-9-8-20)17-11-16(12-21-13-17)15-6-4-3-5-7-15/h3-7,11-14,18H,9-10H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	825	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19871 (N-(cyanomethyl)-4-methyl-2-{3-[2-(morpholin-4-yl)p...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1N1CCOCC1 Show InChI InChI=1S/C24H29N3O2/c1-18(2)16-22(24(28)26-11-10-25)20-7-5-6-19(17-20)21-8-3-4-9-23(21)27-12-14-29-15-13-27/h3-9,17-18,22H,11-16H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	919	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19889 (Nonpeptidic Biaryl Nitrile Compound, 50 | tert-but...) Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C29H38N4O3/c1-21(2)19-26(27(34)31-14-13-30)24-8-6-7-23(20-24)22-9-11-25(12-10-22)32-15-17-33(18-16-32)28(35)36-29(3,4)5/h6-12,20-21,26H,14-19H2,1-5H3,(H,31,34)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	922	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19878 (N-(cyanomethyl)-2-[3-(1H-indol-5-yl)phenyl]-4-meth...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C22H23N3O/c1-15(2)12-20(22(26)25-11-9-23)18-5-3-4-16(13-18)17-6-7-21-19(14-17)8-10-24-21/h3-8,10,13-15,20,24H,11-12H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	922	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19866 (4-(3-{1-[(cyanomethyl)carbamoyl]-3-methylbutyl}phe...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H23N3O2/c1-14(2)12-19(21(26)24-11-10-22)18-5-3-4-17(13-18)15-6-8-16(9-7-15)20(23)25/h3-9,13-14,19H,11-12H2,1-2H3,(H2,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19872 (N-(Cyanomethyl)-4-methyl-2-(3-pyrimidin-5-ylphenyl...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cncnc1 Show InChI InChI=1S/C18H20N4O/c1-13(2)8-17(18(23)22-7-6-19)15-5-3-4-14(9-15)16-10-20-12-21-11-16/h3-5,9-13,17H,7-8H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair

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