Found 354 hits with Last Name = 'catalano' and Initial = 'jg' 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)) | 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 K
(Homo sapiens (Human)) | BDBM50084655
(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibiory activity against recombinant human cathepsin K |
Bioorg Med Chem Lett 14: 275-8 (2003)
BindingDB Entry DOI: 10.7270/Q2GM86PN |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50084655
(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibitory activity against human cathepsin K |
Bioorg Med Chem Lett 14: 719-22 (2004)
BindingDB Entry DOI: 10.7270/Q2QV3KX1 |
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)) | 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)) | BDBM50139490
(2,2,4,4-tetramethylpentan-3-yl(S)-1,2-dioxo-1-((R)...)Show SMILES CCCC[C@H](NC(=O)OC(C(C)(C)C)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C25H40N2O4/c1-9-10-16-19(27-23(30)31-22(24(3,4)5)25(6,7)8)20(28)21(29)26-17(2)18-14-12-11-13-15-18/h11-15,17,19,22H,9-10,16H2,1-8H3,(H,26,29)(H,27,30)/t17-,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibitory activity against human cathepsin K |
Bioorg Med Chem Lett 14: 719-22 (2004)
BindingDB Entry DOI: 10.7270/Q2QV3KX1 |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50139481
((R)-2,2-dimethyl-6-phenylhexan-3-yl(S)-1,2-dioxo-1...)Show SMILES CCCC[C@H](NC(=O)O[C@H](CCCc1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C30H42N2O4/c1-6-7-20-25(27(33)28(34)31-22(2)24-18-12-9-13-19-24)32-29(35)36-26(30(3,4)5)21-14-17-23-15-10-8-11-16-23/h8-13,15-16,18-19,22,25-26H,6-7,14,17,20-21H2,1-5H3,(H,31,34)(H,32,35)/t22-,25+,26-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibitory activity against human cathepsin K |
Bioorg Med Chem Lett 14: 719-22 (2004)
BindingDB Entry DOI: 10.7270/Q2QV3KX1 |
More data for this Ligand-Target Pair | |
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)) | 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)) | 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
| 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 Inhibitory activity against human cathepsin K |
Bioorg Med Chem Lett 14: 719-22 (2004)
BindingDB Entry DOI: 10.7270/Q2QV3KX1 |
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)) | 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 | |
Cathepsin K
(Homo sapiens (Human)) | BDBM19796
((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)CNc1cccc(F)n1 |r| Show InChI InChI=1S/C29H35F4N5O3/c1-5-6-8-22(23(39)17-34-26-10-7-9-25(30)36-26)35-27(40)41-24(28(2,3)4)18-38-16-15-21(37-38)19-11-13-20(14-12-19)29(31,32)33/h7,9-16,22,24H,5-6,8,17-18H2,1-4H3,(H,34,36)(H,35,40)/t22-,24+/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 | 2.10 | 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)) | BDBM50179445
((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)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C30H35F3N4O6/c1-5-6-12-22(23(38)25(39)34-18(2)19-10-8-7-9-11-19)36-28(42)43-24-26(40)37(17-29(24,3)4)27(41)35-21-15-13-20(14-16-21)30(31,32)33/h7-11,13-16,18,22,24H,5-6,12,17H2,1-4H3,(H,34,39)(H,35,41)(H,36,42)/t18-,22+,24-/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 | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50138842
(2,4-dimethylpentan-3-yl(S)-1,2-dioxo-1-((R)-1-phen...)Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C23H36N2O4/c1-7-8-14-19(25-23(28)29-21(15(2)3)16(4)5)20(26)22(27)24-17(6)18-12-10-9-11-13-18/h9-13,15-17,19,21H,7-8,14H2,1-6H3,(H,24,27)(H,25,28)/t17-,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibitory activity against human cathepsin K |
Bioorg Med Chem Lett 14: 719-22 (2004)
BindingDB Entry DOI: 10.7270/Q2QV3KX1 |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50165427
(CHEMBL194068 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)NCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C22H31N3O5/c1-5-6-12-16(25-21(29)30-18-20(28)23-13-22(18,3)4)17(26)19(27)24-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,28)(H,24,27)(H,25,29)/t14-,16+,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibitory concentration against human cathepsin K |
Bioorg Med Chem Lett 15: 2209-13 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50179440
((S)-1-(benzo[b]thiophene-2-carbonyl)-4,4-dimethyl-...)Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)c1cc2ccccc2s1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C31H35N3O6S/c1-5-6-15-22(25(35)27(36)32-19(2)20-12-8-7-9-13-20)33-30(39)40-26-29(38)34(18-31(26,3)4)28(37)24-17-21-14-10-11-16-23(21)41-24/h7-14,16-17,19,22,26H,5-6,15,18H2,1-4H3,(H,32,36)(H,33,39)/t19-,22+,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 | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human cathepsin K 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)) | BDBM50165424
((S)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl (S)-1,...)Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)OCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C22H30N2O6/c1-5-6-12-16(24-21(28)30-18-20(27)29-13-22(18,3)4)17(25)19(26)23-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,26)(H,24,28)/t14-,16+,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibitory concentration against human cathepsin K |
Bioorg Med Chem Lett 15: 2209-13 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50179442
((S)-4,4-dimethyl-2-oxo-1-(2-phenylacetyl)pyrrolidi...)Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)Cc1ccccc1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C30H37N3O6/c1-5-6-17-23(25(35)27(36)31-20(2)22-15-11-8-12-16-22)32-29(38)39-26-28(37)33(19-30(26,3)4)24(34)18-21-13-9-7-10-14-21/h7-16,20,23,26H,5-6,17-19H2,1-4H3,(H,31,36)(H,32,38)/t20-,23+,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 | 3 | 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)) | BDBM50165424
((S)-4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl (S)-1,...)Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)OCC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C22H30N2O6/c1-5-6-12-16(24-21(28)30-18-20(27)29-13-22(18,3)4)17(25)19(26)23-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,26)(H,24,28)/t14-,16+,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 3 | 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)) | BDBM19794
((2S)-1-(5,6-dichloro-1H-1,3-benzodiazol-1-yl)-3,3-...)Show SMILES CCCC[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/C26H33Cl2N5O5S/c1-5-6-9-19(22(34)14-31-39(36,37)24-10-7-8-11-29-24)32-25(35)38-23(26(2,3)4)15-33-16-30-20-12-17(27)18(28)13-21(20)33/h7-8,10-13,16,19,23,31H,5-6,9,14-15H2,1-4H3,(H,32,35)/t19-,23+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.20 | 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)) | BDBM19791
((2S)-3,3-dimethyl-1-[3-(pyridin-4-yl)-1H-pyrazol-1...)Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccncc1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C27H36N6O5S/c1-5-6-9-22(23(34)18-30-39(36,37)25-10-7-8-14-29-25)31-26(35)38-24(27(2,3)4)19-33-17-13-21(32-33)20-11-15-28-16-12-20/h7-8,10-17,22,24,30H,5-6,9,18-19H2,1-4H3,(H,31,35)/t22-,24+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.80 | 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)) | BDBM50179453
((S)-1-(benzylcarbamoyl)-4,4-dimethyl-2-oxopyrrolid...)Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)NCc1ccccc1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C30H38N4O6/c1-5-6-17-23(24(35)26(36)32-20(2)22-15-11-8-12-16-22)33-29(39)40-25-27(37)34(19-30(25,3)4)28(38)31-18-21-13-9-7-10-14-21/h7-16,20,23,25H,5-6,17-19H2,1-4H3,(H,31,38)(H,32,36)(H,33,39)/t20-,23+,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 | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of recombinant human cathepsin K 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)) | BDBM19786
((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)CNS(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C29H36F3N5O5S/c1-5-6-9-23(24(38)18-34-43(40,41)26-10-7-8-16-33-26)35-27(39)42-25(28(2,3)4)19-37-17-15-22(36-37)20-11-13-21(14-12-20)29(30,31)32/h7-8,10-17,23,25,34H,5-6,9,18-19H2,1-4H3,(H,35,39)/t23-,25+/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 | 4 | 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)) | BDBM50179441
((S)-4,4-dimethyl-2-oxo-1-(phenylcarbamoyl)pyrrolid...)Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)Nc1ccccc1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C29H36N4O6/c1-5-6-17-22(23(34)25(35)30-19(2)20-13-9-7-10-14-20)32-28(38)39-24-26(36)33(18-29(24,3)4)27(37)31-21-15-11-8-12-16-21/h7-16,19,22,24H,5-6,17-18H2,1-4H3,(H,30,35)(H,31,37)(H,32,38)/t19-,22+,24-/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 | 4.30 | 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)) | BDBM50179435
((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)Oc1ccc(cc1)-c1ccccc1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C35H39N3O7/c1-5-6-17-28(29(39)31(40)36-23(2)24-13-9-7-10-14-24)37-33(42)45-30-32(41)38(22-35(30,3)4)34(43)44-27-20-18-26(19-21-27)25-15-11-8-12-16-25/h7-16,18-21,23,28,30H,5-6,17,22H2,1-4H3,(H,36,40)(H,37,42)/t23-,28+,30-/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 | 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 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 S
(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
| Article PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of 10 uM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay |
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)) | BDBM19792
((2S)-3,3-dimethyl-1-[3-(pyridin-3-yl)-1H-pyrazol-1...)Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1cccnc1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C27H36N6O5S/c1-5-6-11-22(23(34)18-30-39(36,37)25-12-7-8-15-29-25)31-26(35)38-24(27(2,3)4)19-33-16-13-21(32-33)20-10-9-14-28-17-20/h7-10,12-17,22,24,30H,5-6,11,18-19H2,1-4H3,(H,31,35)/t22-,24+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.5 | 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)) | BDBM50165423
(CHEMBL193582 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)Show SMILES CCCC[C@H](NC(=O)OC1C2(C)CCC(C2)C1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:12.13| Show InChI InChI=1S/C26H38N2O4/c1-6-7-13-20(21(29)22(30)27-17(2)18-11-9-8-10-12-18)28-24(31)32-23-25(3,4)19-14-15-26(23,5)16-19/h8-12,17,19-20,23H,6-7,13-16H2,1-5H3,(H,27,30)(H,28,31)/t17-,19?,20+,23?,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 | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibitory concentration against human cathepsin K |
Bioorg Med Chem Lett 15: 2209-13 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50139492
(CHEMBL355138 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)Show SMILES CCCC[C@H](NC(=O)OC(C1CCCC1)C1CCCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C27H40N2O4/c1-3-4-18-23(24(30)26(31)28-19(2)20-12-6-5-7-13-20)29-27(32)33-25(21-14-8-9-15-21)22-16-10-11-17-22/h5-7,12-13,19,21-23,25H,3-4,8-11,14-18H2,1-2H3,(H,28,31)(H,29,32)/t19-,23+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibitory activity against human cathepsin K |
Bioorg Med Chem Lett 14: 719-22 (2004)
BindingDB Entry DOI: 10.7270/Q2QV3KX1 |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM19789
((2S)-3,3-dimethyl-1-{4-[4-(trifluoromethyl)phenyl]...)Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C29H36F3N5O5S/c1-5-6-9-22(24(38)16-35-43(40,41)26-10-7-8-15-33-26)36-27(39)42-25(28(2,3)4)18-37-17-23(34-19-37)20-11-13-21(14-12-20)29(30,31)32/h7-8,10-15,17,19,22,25,35H,5-6,9,16,18H2,1-4H3,(H,36,39)/t22-,25+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.40 | 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)) | BDBM50179433
((S)-4,4-dimethyl-2-oxo-1-(phenethylcarbamoyl)pyrro...)Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)NCCc1ccccc1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C31H40N4O6/c1-5-6-17-24(25(36)27(37)33-21(2)23-15-11-8-12-16-23)34-30(40)41-26-28(38)35(20-31(26,3)4)29(39)32-19-18-22-13-9-7-10-14-22/h7-16,21,24,26H,5-6,17-20H2,1-4H3,(H,32,39)(H,33,37)(H,34,40)/t21-,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 | 6.60 | 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)) | BDBM50179456
(CHEMBL380300 | [(S)-1-((R)-1-phenyl-ethylaminooxal...)Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)C(=O)c1ccc(cc1)-c1ccccc1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C35H39N3O6/c1-5-6-17-28(29(39)31(40)36-23(2)24-13-9-7-10-14-24)37-34(43)44-30-33(42)38(22-35(30,3)4)32(41)27-20-18-26(19-21-27)25-15-11-8-12-16-25/h7-16,18-21,23,28,30H,5-6,17,22H2,1-4H3,(H,36,40)(H,37,43)/t23-,28+,30-/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 | 6.90 | 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)) | BDBM50165420
(CHEMBL197509 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)Show SMILES CCCC[C@H](NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)C(=O)N[C@H](C)c1ccccc1 |wD:4.4,24.27,TLB:18:17:15:12.11.13,THB:13:12:9:14.16.15,13:14:9:12.11.18,8:9:15:12.11.13,18:12:9.17.16:15,(1.45,-4.67,;2.78,-3.9,;2.78,-2.36,;4.11,-1.59,;4.11,-.05,;2.78,.72,;1.45,-.05,;1.45,-1.59,;.12,.72,;-1.21,-.05,;-1.23,-1.57,;-2.63,-1.92,;-3.96,-1.43,;-5.15,-2.71,;-3.66,-2.29,;-2.24,-2.85,;-3.66,-.7,;-2.61,.53,;-3.96,.06,;5.44,.72,;5.44,2.26,;6.77,-.05,;6.77,-1.59,;8.12,.72,;9.45,-.05,;10.79,.72,;9.45,-1.59,;8.1,-2.34,;8.1,-3.88,;9.45,-4.65,;10.79,-3.88,;10.78,-2.34,)| Show InChI InChI=1S/C26H36N2O4/c1-3-4-10-22(23(29)25(30)27-16(2)19-8-6-5-7-9-19)28-26(31)32-24-20-12-17-11-18(14-20)15-21(24)13-17/h5-9,16-18,20-22,24H,3-4,10-15H2,1-2H3,(H,27,30)(H,28,31)/t16-,17?,18?,20?,21?,22+,24?/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 | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibitory concentration against human cathepsin K |
Bioorg Med Chem Lett 15: 2209-13 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM19782
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(2...)Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H](C)C(=O)CNS(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C24H28N4O6S/c1-15(2)12-18(28-24(31)21-13-17-8-4-5-9-20(17)34-21)23(30)27-16(3)19(29)14-26-35(32,33)22-10-6-7-11-25-22/h4-11,13,15-16,18,26H,12,14H2,1-3H3,(H,27,30)(H,28,31)/t16-,18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.5 | 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)) | BDBM50152535
(CHEMBL362878 | [(S)-5-[(Morpholine-4-carbonyl)-ami...)Show SMILES C[C@@H](NC(=O)C(=O)[C@H](CCCCNC(=O)N1CCOCC1)NC(=O)OCC1(Cc2ccncc2)CCC1)c1ccccc1 Show InChI InChI=1S/C32H43N5O6/c1-24(26-8-3-2-4-9-26)35-29(39)28(38)27(10-5-6-15-34-30(40)37-18-20-42-21-19-37)36-31(41)43-23-32(13-7-14-32)22-25-11-16-33-17-12-25/h2-4,8-9,11-12,16-17,24,27H,5-7,10,13-15,18-23H2,1H3,(H,34,40)(H,35,39)(H,36,41)/t24-,27+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.60 | 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)) | BDBM19790
((2S)-3,3-dimethyl-1-{4-[4-(trifluoromethyl)phenyl]...)Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cc(cn1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C29H36F3N5O5S/c1-5-6-9-23(24(38)17-35-43(40,41)26-10-7-8-15-33-26)36-27(39)42-25(28(2,3)4)19-37-18-21(16-34-37)20-11-13-22(14-12-20)29(30,31)32/h7-8,10-16,18,23,25,35H,5-6,9,17,19H2,1-4H3,(H,36,39)/t23-,25+/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 | 7.60 | 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)) | 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 | 7.90 | 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)) | BDBM50179434
((S)-4,4-dimethyl-2-oxo-1-(phenylsulfonyl)pyrrolidi...)Show SMILES CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(CC1(C)C)S(=O)(=O)c1ccccc1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C28H35N3O7S/c1-5-6-17-22(23(32)25(33)29-19(2)20-13-9-7-10-14-20)30-27(35)38-24-26(34)31(18-28(24,3)4)39(36,37)21-15-11-8-12-16-21/h7-16,19,22,24H,5-6,17-18H2,1-4H3,(H,29,33)(H,30,35)/t19-,22+,24-/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 | 8.30 | 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)) | BDBM50152527
((1-benzylcyclobutyl)methyl(S)-1,2-dioxo-1-((R)-1-p...)Show SMILES CCCC[C@H](NC(=O)OCC1(Cc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C28H36N2O4/c1-3-4-16-24(25(31)26(32)29-21(2)23-14-9-6-10-15-23)30-27(33)34-20-28(17-11-18-28)19-22-12-7-5-8-13-22/h5-10,12-15,21,24H,3-4,11,16-20H2,1-2H3,(H,29,32)(H,30,33)/t21-,24+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.5 | 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 | |
Procathepsin L
(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 | 8.70 | 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)) | BDBM50179444
((S)-1-(isoxazole-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)c1ccno1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C26H32N4O7/c1-5-6-12-18(20(31)22(32)28-16(2)17-10-8-7-9-11-17)29-25(35)36-21-24(34)30(15-26(21,3)4)23(33)19-13-14-27-37-19/h7-11,13-14,16,18,21H,5-6,12,15H2,1-4H3,(H,28,32)(H,29,35)/t16-,18+,21-/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 | 8.90 | 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 S
(Homo sapiens (Human)) | BDBM19794
((2S)-1-(5,6-dichloro-1H-1,3-benzodiazol-1-yl)-3,3-...)Show SMILES CCCC[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/C26H33Cl2N5O5S/c1-5-6-9-19(22(34)14-31-39(36,37)24-10-7-8-11-29-24)32-25(35)38-23(26(2,3)4)15-33-16-30-20-12-17(27)18(28)13-21(20)33/h7-8,10-13,16,19,23,31H,5-6,9,14-15H2,1-4H3,(H,32,35)/t19-,23+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | 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 S
(Homo sapiens (Human)) | BDBM19789
((2S)-3,3-dimethyl-1-{4-[4-(trifluoromethyl)phenyl]...)Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C29H36F3N5O5S/c1-5-6-9-22(24(38)16-35-43(40,41)26-10-7-8-15-33-26)36-27(39)42-25(28(2,3)4)18-37-17-23(34-19-37)20-11-13-21(14-12-20)29(30,31)32/h7-8,10-15,17,19,22,25,35H,5-6,9,16,18H2,1-4H3,(H,36,39)/t22-,25+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | 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 S
(Homo sapiens (Human)) | BDBM50152525
(CHEMBL184403 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...)Show SMILES CCCC[C@H](NC(=O)OCC1(Cc2ccccc2)CCCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C29H38N2O4/c1-3-4-17-25(26(32)27(33)30-22(2)24-15-9-6-10-16-24)31-28(34)35-21-29(18-11-12-19-29)20-23-13-7-5-8-14-23/h5-10,13-16,22,25H,3-4,11-12,17-21H2,1-2H3,(H,30,33)(H,31,34)/t22-,25+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of 10 uM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay |
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 S
(Homo sapiens (Human)) | BDBM19791
((2S)-3,3-dimethyl-1-[3-(pyridin-4-yl)-1H-pyrazol-1...)Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccncc1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C27H36N6O5S/c1-5-6-9-22(23(34)18-30-39(36,37)25-10-7-8-14-29-25)31-26(35)38-24(27(2,3)4)19-33-17-13-21(32-33)20-11-15-28-16-12-20/h7-8,10-17,22,24,30H,5-6,9,18-19H2,1-4H3,(H,31,35)/t22-,24+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 11 | 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 | |