Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50017907 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)) | BDBM50188295
((R,S)-4-methyl-2-[3'-(2-piperazin-1-yl-thiazol-4-y...)Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCNCC1 Show InChI InChI=1S/C27H31N5OS/c1-19(2)15-24(26(33)30-10-9-28)22-7-3-5-20(16-22)21-6-4-8-23(17-21)25-18-34-27(31-25)32-13-11-29-12-14-32/h3-8,16-19,24,29H,10-15H2,1-2H3,(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50188296
((R)-2-{3'-[2-(4-tert-butyl-piperazin-1-yl)-thiazol...)Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(CC1)C(C)(C)C Show InChI InChI=1S/C31H39N5OS/c1-22(2)18-27(29(37)33-13-12-32)25-10-6-8-23(19-25)24-9-7-11-26(20-24)28-21-38-30(34-28)35-14-16-36(17-15-35)31(3,4)5/h6-11,19-22,27H,13-18H2,1-5H3,(H,33,37)/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50188297
((R,S)-4-methyl-2-{3'-[2-(4-methyl-piperazin-1-yl)-...)Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C28H33N5OS/c1-20(2)16-25(27(34)30-11-10-29)23-8-4-6-21(17-23)22-7-5-9-24(18-22)26-19-35-28(31-26)33-14-12-32(3)13-15-33/h4-9,17-20,25H,11-16H2,1-3H3,(H,30,34) | 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 |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50188298
((R)-2-{3'-[2-(3-dimethylamino-pyrrolidin-1-yl)-thi...)Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCC(C1)N(C)C Show InChI InChI=1S/C29H35N5OS/c1-20(2)15-26(28(35)31-13-12-30)23-9-5-7-21(16-23)22-8-6-10-24(17-22)27-19-36-29(32-27)34-14-11-25(18-34)33(3)4/h5-10,16-17,19-20,25-26H,11,13-15,18H2,1-4H3,(H,31,35)/t25?,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
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50188293
((R,S)-4-methyl-2-[4'-(2-piperazin-1-yl-thiazol-4-y...)Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)-c1csc(n1)N1CCNCC1 Show InChI InChI=1S/C27H31N5OS/c1-19(2)16-24(26(33)30-11-10-28)23-5-3-4-22(17-23)20-6-8-21(9-7-20)25-18-34-27(31-25)32-14-12-29-13-15-32/h3-9,17-19,24,29H,11-16H2,1-2H3,(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50188294
((R)-4-methyl-2-[3'-(2-piperazin-1-ylmethyl-thiazol...)Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(CN2CCNCC2)n1 Show InChI InChI=1S/C28H33N5OS/c1-20(2)15-25(28(34)31-10-9-29)23-7-3-5-21(16-23)22-6-4-8-24(17-22)26-19-35-27(32-26)18-33-13-11-30-12-14-33/h3-8,16-17,19-20,25,30H,10-15,18H2,1-2H3,(H,31,34)/t25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
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
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin K |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50188295
((R,S)-4-methyl-2-[3'-(2-piperazin-1-yl-thiazol-4-y...)Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCNCC1 Show InChI InChI=1S/C27H31N5OS/c1-19(2)15-24(26(33)30-10-9-28)22-7-3-5-20(16-22)21-6-4-8-23(17-21)25-18-34-27(31-25)32-13-11-29-12-14-32/h3-8,16-19,24,29H,10-15H2,1-2H3,(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin L |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50188296
((R)-2-{3'-[2-(4-tert-butyl-piperazin-1-yl)-thiazol...)Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(CC1)C(C)(C)C Show InChI InChI=1S/C31H39N5OS/c1-22(2)18-27(29(37)33-13-12-32)25-10-6-8-23(19-25)24-9-7-11-26(20-24)28-21-38-30(34-28)35-14-16-36(17-15-35)31(3,4)5/h6-11,19-22,27H,13-18H2,1-5H3,(H,33,37)/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin L |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50188297
((R,S)-4-methyl-2-{3'-[2-(4-methyl-piperazin-1-yl)-...)Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C28H33N5OS/c1-20(2)16-25(27(34)30-11-10-29)23-8-4-6-21(17-23)22-7-5-9-24(18-22)26-19-35-28(31-26)33-14-12-32(3)13-15-33/h4-9,17-20,25H,11-16H2,1-3H3,(H,30,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin L |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50188298
((R)-2-{3'-[2-(3-dimethylamino-pyrrolidin-1-yl)-thi...)Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCC(C1)N(C)C Show InChI InChI=1S/C29H35N5OS/c1-20(2)15-26(28(35)31-13-12-30)23-9-5-7-21(16-23)22-8-6-10-24(17-22)27-19-36-29(32-27)34-14-11-25(18-34)33(3)4/h5-10,16-17,19-20,25-26H,11,13-15,18H2,1-4H3,(H,31,35)/t25?,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
| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin L |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50188294
((R)-4-methyl-2-[3'-(2-piperazin-1-ylmethyl-thiazol...)Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(CN2CCNCC2)n1 Show InChI InChI=1S/C28H33N5OS/c1-20(2)15-25(28(34)31-10-9-29)23-7-3-5-21(16-23)22-6-4-8-24(17-22)26-19-35-27(32-26)18-33-13-11-30-12-14-33/h3-8,16-17,19-20,25,30H,10-15,18H2,1-2H3,(H,31,34)/t25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin L |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin S
(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
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50188297
((R,S)-4-methyl-2-{3'-[2-(4-methyl-piperazin-1-yl)-...)Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C28H33N5OS/c1-20(2)16-25(27(34)30-11-10-29)23-8-4-6-21(17-23)22-7-5-9-24(18-22)26-19-35-28(31-26)33-14-12-32(3)13-15-33/h4-9,17-20,25H,11-16H2,1-3H3,(H,30,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50188293
((R,S)-4-methyl-2-[4'-(2-piperazin-1-yl-thiazol-4-y...)Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)-c1csc(n1)N1CCNCC1 Show InChI InChI=1S/C27H31N5OS/c1-19(2)16-24(26(33)30-11-10-28)23-5-3-4-22(17-23)20-6-8-21(9-7-20)25-18-34-27(31-25)32-14-12-29-13-15-32/h3-9,17-19,24,29H,11-16H2,1-2H3,(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin L |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50188298
((R)-2-{3'-[2-(3-dimethylamino-pyrrolidin-1-yl)-thi...)Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCC(C1)N(C)C Show InChI InChI=1S/C29H35N5OS/c1-20(2)15-26(28(35)31-13-12-30)23-9-5-7-21(16-23)22-8-6-10-24(17-22)27-19-36-29(32-27)34-14-11-25(18-34)33(3)4/h5-10,16-17,19-20,25-26H,11,13-15,18H2,1-4H3,(H,31,35)/t25?,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
| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin B
(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
| 3.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin B |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Procathepsin L
(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
| 4.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin L |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50188295
((R,S)-4-methyl-2-[3'-(2-piperazin-1-yl-thiazol-4-y...)Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCNCC1 Show InChI InChI=1S/C27H31N5OS/c1-19(2)15-24(26(33)30-10-9-28)22-7-3-5-20(16-22)21-6-4-8-23(17-21)25-18-34-27(31-25)32-13-11-29-12-14-32/h3-8,16-19,24,29H,10-15H2,1-2H3,(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50188296
((R)-2-{3'-[2-(4-tert-butyl-piperazin-1-yl)-thiazol...)Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(CC1)C(C)(C)C Show InChI InChI=1S/C31H39N5OS/c1-22(2)18-27(29(37)33-13-12-32)25-10-6-8-23(19-25)24-9-7-11-26(20-24)28-21-38-30(34-28)35-14-16-36(17-15-35)31(3,4)5/h6-11,19-22,27H,13-18H2,1-5H3,(H,33,37)/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50188294
((R)-4-methyl-2-[3'-(2-piperazin-1-ylmethyl-thiazol...)Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(CN2CCNCC2)n1 Show InChI InChI=1S/C28H33N5OS/c1-20(2)15-25(28(34)31-10-9-29)23-7-3-5-21(16-23)22-6-4-8-24(17-22)26-19-35-27(32-26)18-33-13-11-30-12-14-33/h3-8,16-17,19-20,25,30H,10-15,18H2,1-2H3,(H,31,34)/t25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50188293
((R,S)-4-methyl-2-[4'-(2-piperazin-1-yl-thiazol-4-y...)Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)-c1csc(n1)N1CCNCC1 Show InChI InChI=1S/C27H31N5OS/c1-19(2)16-24(26(33)30-11-10-28)23-5-3-4-22(17-23)20-6-8-21(9-7-20)25-18-34-27(31-25)32-14-12-29-13-15-32/h3-9,17-19,24,29H,11-16H2,1-2H3,(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin S |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50188293
((R,S)-4-methyl-2-[4'-(2-piperazin-1-yl-thiazol-4-y...)Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)-c1csc(n1)N1CCNCC1 Show InChI InChI=1S/C27H31N5OS/c1-19(2)16-24(26(33)30-11-10-28)23-5-3-4-22(17-23)20-6-8-21(9-7-20)25-18-34-27(31-25)32-14-12-29-13-15-32/h3-9,17-19,24,29H,11-16H2,1-2H3,(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin B |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50188295
((R,S)-4-methyl-2-[3'-(2-piperazin-1-yl-thiazol-4-y...)Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCNCC1 Show InChI InChI=1S/C27H31N5OS/c1-19(2)15-24(26(33)30-10-9-28)22-7-3-5-20(16-22)21-6-4-8-23(17-21)25-18-34-27(31-25)32-13-11-29-12-14-32/h3-8,16-19,24,29H,10-15H2,1-2H3,(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin B |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50188297
((R,S)-4-methyl-2-{3'-[2-(4-methyl-piperazin-1-yl)-...)Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C28H33N5OS/c1-20(2)16-25(27(34)30-11-10-29)23-8-4-6-21(17-23)22-7-5-9-24(18-22)26-19-35-28(31-26)33-14-12-32(3)13-15-33/h4-9,17-20,25H,11-16H2,1-3H3,(H,30,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin B |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50188296
((R)-2-{3'-[2-(4-tert-butyl-piperazin-1-yl)-thiazol...)Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCN(CC1)C(C)(C)C Show InChI InChI=1S/C31H39N5OS/c1-22(2)18-27(29(37)33-13-12-32)25-10-6-8-23(19-25)24-9-7-11-26(20-24)28-21-38-30(34-28)35-14-16-36(17-15-35)31(3,4)5/h6-11,19-22,27H,13-18H2,1-5H3,(H,33,37)/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin B |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50188298
((R)-2-{3'-[2-(3-dimethylamino-pyrrolidin-1-yl)-thi...)Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(n1)N1CCC(C1)N(C)C Show InChI InChI=1S/C29H35N5OS/c1-20(2)15-26(28(35)31-13-12-30)23-9-5-7-21(16-23)22-8-6-10-24(17-22)27-19-36-29(32-27)34-14-11-25(18-34)33(3)4/h5-10,16-17,19-20,25-26H,11,13-15,18H2,1-4H3,(H,31,35)/t25?,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
| 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin B |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50188294
((R)-4-methyl-2-[3'-(2-piperazin-1-ylmethyl-thiazol...)Show SMILES CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)-c1csc(CN2CCNCC2)n1 Show InChI InChI=1S/C28H33N5OS/c1-20(2)15-25(28(34)31-10-9-29)23-7-3-5-21(16-23)22-6-4-8-24(17-22)26-19-35-27(32-26)18-33-13-11-30-12-14-33/h3-8,16-17,19-20,25,30H,10-15,18H2,1-2H3,(H,31,34)/t25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin B |
Bioorg Med Chem Lett 16: 4296-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.061 BindingDB Entry DOI: 10.7270/Q2KW5FNN |
More data for this Ligand-Target Pair | |