Found 16 hits of Enzyme Inhibition Constant Data 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)) | BDBM50134127
(CHEMBL607122)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1NC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H36N4O4/c1-18(2)15-22(31-26(35)19-11-13-21(14-12-19)29(3,4)5)28(37)33-25-23(16-30-33)32(17-24(25)34)27(36)20-9-7-6-8-10-20/h6-14,18,22-23,25,30H,15-17H2,1-5H3,(H,31,35)/t22-,23+,25-/m0/s1 | 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 |
Amura Therapeutics Limited, Inc
Curated by ChEMBL
| Assay Description
Binding affinity against human cathepsin K |
Bioorg Med Chem Lett 15: 1327-31 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50161337
(N-[1-((S)-(S)-4-Benzoyl-6-(S)-oxo-hexahydro-pyrrol...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1CCC2[C@H]1C(=O)CN2C(=O)c1ccccc1 Show InChI InChI=1S/C28H34N4O4/c1-18(2)16-22(29-26(34)19-10-12-21(13-11-19)30(3)4)28(36)31-15-14-23-25(31)24(33)17-32(23)27(35)20-8-6-5-7-9-20/h5-13,18,22-23,25H,14-17H2,1-4H3,(H,29,34)/t22-,23?,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amura Therapeutics Limited, Inc
Curated by ChEMBL
| Assay Description
Binding affinity against human cathepsin K |
Bioorg Med Chem Lett 15: 1327-31 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50318879
(CHEMBL607169 | N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1CC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1 Show InChI InChI=1S/C30H37N3O4/c1-19(2)17-23(31-27(35)20-11-13-22(14-12-20)30(3,4)5)29(37)32-16-15-24-26(32)25(34)18-33(24)28(36)21-9-7-6-8-10-21/h6-14,19,23-24,26H,15-18H2,1-5H3,(H,31,35)/t23-,24+,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amura Therapeutics Limited, Inc
Curated by ChEMBL
| Assay Description
Binding affinity against human cathepsin K |
Bioorg Med Chem Lett 15: 1327-31 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50161334
(N-[1-((S)-(S)-4-Benzoyl-6-(S)-oxo-hexahydro-2-oxa-...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1OCC2[C@H]1C(=O)CN2C(=O)c1ccccc1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-21(28-25(33)18-10-12-20(13-11-18)29(3)4)27(35)31-24-22(16-36-31)30(15-23(24)32)26(34)19-8-6-5-7-9-19/h5-13,17,21-22,24H,14-16H2,1-4H3,(H,28,33)/t21-,22?,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amura Therapeutics Limited, Inc
Curated by ChEMBL
| Assay Description
Binding affinity against human cathepsin K |
Bioorg Med Chem Lett 15: 1327-31 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX |
More data for this
Ligand-Target Pair | |
Cysteine proteinase B
(Leishmania mexicana) | BDBM50134127
(CHEMBL607122)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1NC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H36N4O4/c1-18(2)15-22(31-26(35)19-11-13-21(14-12-19)29(3,4)5)28(37)33-25-23(16-30-33)32(17-24(25)34)27(36)20-9-7-6-8-10-20/h6-14,18,22-23,25,30H,15-17H2,1-5H3,(H,31,35)/t22-,23+,25-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amura Therapeutics Limited, Inc
Curated by ChEMBL
| Assay Description
Binding affinity against Leishmania mexicana cysteine peptidase B (CPB) |
Bioorg Med Chem Lett 15: 1327-31 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50134127
(CHEMBL607122)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1NC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H36N4O4/c1-18(2)15-22(31-26(35)19-11-13-21(14-12-19)29(3,4)5)28(37)33-25-23(16-30-33)32(17-24(25)34)27(36)20-9-7-6-8-10-20/h6-14,18,22-23,25,30H,15-17H2,1-5H3,(H,31,35)/t22-,23+,25-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amura Therapeutics Limited, Inc
Curated by ChEMBL
| Assay Description
Binding affinity against cruzaine |
Bioorg Med Chem Lett 15: 1327-31 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50318879
(CHEMBL607169 | N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1CC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1 Show InChI InChI=1S/C30H37N3O4/c1-19(2)17-23(31-27(35)20-11-13-22(14-12-20)30(3,4)5)29(37)32-16-15-24-26(32)25(34)18-33(24)28(36)21-9-7-6-8-10-21/h6-14,19,23-24,26H,15-18H2,1-5H3,(H,31,35)/t23-,24+,26-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 173 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amura Therapeutics Limited, Inc
Curated by ChEMBL
| Assay Description
Binding affinity against cruzaine |
Bioorg Med Chem Lett 15: 1327-31 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50134127
(CHEMBL607122)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1NC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H36N4O4/c1-18(2)15-22(31-26(35)19-11-13-21(14-12-19)29(3,4)5)28(37)33-25-23(16-30-33)32(17-24(25)34)27(36)20-9-7-6-8-10-20/h6-14,18,22-23,25,30H,15-17H2,1-5H3,(H,31,35)/t22-,23+,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 434 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amura Therapeutics Limited, Inc
Curated by ChEMBL
| Assay Description
Binding affinity against cathepsin S |
Bioorg Med Chem Lett 15: 1327-31 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50161337
(N-[1-((S)-(S)-4-Benzoyl-6-(S)-oxo-hexahydro-pyrrol...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1CCC2[C@H]1C(=O)CN2C(=O)c1ccccc1 Show InChI InChI=1S/C28H34N4O4/c1-18(2)16-22(29-26(34)19-10-12-21(13-11-19)30(3)4)28(36)31-15-14-23-25(31)24(33)17-32(23)27(35)20-8-6-5-7-9-20/h5-13,18,22-23,25H,14-17H2,1-4H3,(H,29,34)/t22-,23?,25-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amura Therapeutics Limited, Inc
Curated by ChEMBL
| Assay Description
Binding affinity against cruzaine |
Bioorg Med Chem Lett 15: 1327-31 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX |
More data for this
Ligand-Target Pair | |
Cysteine proteinase B
(Leishmania mexicana) | BDBM50318879
(CHEMBL607169 | N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1CC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1 Show InChI InChI=1S/C30H37N3O4/c1-19(2)17-23(31-27(35)20-11-13-22(14-12-20)30(3,4)5)29(37)32-16-15-24-26(32)25(34)18-33(24)28(36)21-9-7-6-8-10-21/h6-14,19,23-24,26H,15-18H2,1-5H3,(H,31,35)/t23-,24+,26-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 691 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amura Therapeutics Limited, Inc
Curated by ChEMBL
| Assay Description
Binding affinity against Leishmania mexicana cysteine peptidase B (CPB) |
Bioorg Med Chem Lett 15: 1327-31 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX |
More data for this
Ligand-Target Pair | |
Cysteine proteinase B
(Leishmania mexicana) | BDBM50161334
(N-[1-((S)-(S)-4-Benzoyl-6-(S)-oxo-hexahydro-2-oxa-...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1OCC2[C@H]1C(=O)CN2C(=O)c1ccccc1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-21(28-25(33)18-10-12-20(13-11-18)29(3)4)27(35)31-24-22(16-36-31)30(15-23(24)32)26(34)19-8-6-5-7-9-19/h5-13,17,21-22,24H,14-16H2,1-4H3,(H,28,33)/t21-,22?,24-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amura Therapeutics Limited, Inc
Curated by ChEMBL
| Assay Description
Binding affinity against Leishmania mexicana cysteine peptidase B (CPB) |
Bioorg Med Chem Lett 15: 1327-31 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX |
More data for this
Ligand-Target Pair | |
Cysteine proteinase B
(Leishmania mexicana) | BDBM50161337
(N-[1-((S)-(S)-4-Benzoyl-6-(S)-oxo-hexahydro-pyrrol...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1CCC2[C@H]1C(=O)CN2C(=O)c1ccccc1 Show InChI InChI=1S/C28H34N4O4/c1-18(2)16-22(29-26(34)19-10-12-21(13-11-19)30(3)4)28(36)31-15-14-23-25(31)24(33)17-32(23)27(35)20-8-6-5-7-9-20/h5-13,18,22-23,25H,14-17H2,1-4H3,(H,29,34)/t22-,23?,25-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amura Therapeutics Limited, Inc
Curated by ChEMBL
| Assay Description
Binding affinity against Leishmania mexicana cysteine peptidase B (CPB) |
Bioorg Med Chem Lett 15: 1327-31 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX |
More data for this
Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50161334
(N-[1-((S)-(S)-4-Benzoyl-6-(S)-oxo-hexahydro-2-oxa-...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1OCC2[C@H]1C(=O)CN2C(=O)c1ccccc1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-21(28-25(33)18-10-12-20(13-11-18)29(3)4)27(35)31-24-22(16-36-31)30(15-23(24)32)26(34)19-8-6-5-7-9-19/h5-13,17,21-22,24H,14-16H2,1-4H3,(H,28,33)/t21-,22?,24-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amura Therapeutics Limited, Inc
Curated by ChEMBL
| Assay Description
Binding affinity against cruzaine |
Bioorg Med Chem Lett 15: 1327-31 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50161334
(N-[1-((S)-(S)-4-Benzoyl-6-(S)-oxo-hexahydro-2-oxa-...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1OCC2[C@H]1C(=O)CN2C(=O)c1ccccc1 Show InChI InChI=1S/C27H32N4O5/c1-17(2)14-21(28-25(33)18-10-12-20(13-11-18)29(3)4)27(35)31-24-22(16-36-31)30(15-23(24)32)26(34)19-8-6-5-7-9-19/h5-13,17,21-22,24H,14-16H2,1-4H3,(H,28,33)/t21-,22?,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amura Therapeutics Limited, Inc
Curated by ChEMBL
| Assay Description
Binding affinity against cathepsin S |
Bioorg Med Chem Lett 15: 1327-31 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50161337
(N-[1-((S)-(S)-4-Benzoyl-6-(S)-oxo-hexahydro-pyrrol...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1CCC2[C@H]1C(=O)CN2C(=O)c1ccccc1 Show InChI InChI=1S/C28H34N4O4/c1-18(2)16-22(29-26(34)19-10-12-21(13-11-19)30(3)4)28(36)31-15-14-23-25(31)24(33)17-32(23)27(35)20-8-6-5-7-9-20/h5-13,18,22-23,25H,14-17H2,1-4H3,(H,29,34)/t22-,23?,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amura Therapeutics Limited, Inc
Curated by ChEMBL
| Assay Description
Binding affinity against cathepsin S |
Bioorg Med Chem Lett 15: 1327-31 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50318879
(CHEMBL607169 | N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1CC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1 Show InChI InChI=1S/C30H37N3O4/c1-19(2)17-23(31-27(35)20-11-13-22(14-12-20)30(3,4)5)29(37)32-16-15-24-26(32)25(34)18-33(24)28(36)21-9-7-6-8-10-21/h6-14,19,23-24,26H,15-18H2,1-5H3,(H,31,35)/t23-,24+,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amura Therapeutics Limited, Inc
Curated by ChEMBL
| Assay Description
Binding affinity against cathepsin S |
Bioorg Med Chem Lett 15: 1327-31 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.022
BindingDB Entry DOI: 10.7270/Q2SB46HX |
More data for this
Ligand-Target Pair | |
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