Found 5 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 B
(Homo sapiens (Human)) | BDBM50174302
(CHEMBL200283 | N-((S)-1-((S)-1-(4-bromophenyl)-4-(...)Show SMILES CCNC(=O)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)CCCCC1CCSS1)C(C)C Show InChI InChI=1S/C25H36BrN3O4S2/c1-4-27-25(33)23(31)20(15-17-9-11-18(26)12-10-17)28-24(32)22(16(2)3)29-21(30)8-6-5-7-19-13-14-34-35-19/h9-12,16,19-20,22H,4-8,13-15H2,1-3H3,(H,27,33)(H,28,32)(H,29,30)/t19?,20-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Santhera Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against cathepsin B |
Bioorg Med Chem Lett 15: 5176-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.064
BindingDB Entry DOI: 10.7270/Q23N2466 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50174304
(CHEMBL198962 | N-((S)-1-((S)-1-(4-chlorophenyl)-4-...)Show SMILES CCNC(=O)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)CCCCC1CCSS1)C(C)C Show InChI InChI=1S/C25H36ClN3O4S2/c1-4-27-25(33)23(31)20(15-17-9-11-18(26)12-10-17)28-24(32)22(16(2)3)29-21(30)8-6-5-7-19-13-14-34-35-19/h9-12,16,19-20,22H,4-8,13-15H2,1-3H3,(H,27,33)(H,28,32)(H,29,30)/t19?,20-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Santhera Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against cathepsin B |
Bioorg Med Chem Lett 15: 5176-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.064
BindingDB Entry DOI: 10.7270/Q23N2466 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50073850
((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r| Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Santhera Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against cathepsin B |
Bioorg Med Chem Lett 15: 5176-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.064
BindingDB Entry DOI: 10.7270/Q23N2466 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50174313
((S)-2-(5-[1,2]dithiolan-3-yl-pentanoylamino)-4-met...)Show SMILES CCNC(=O)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](CC(C)C)NC(=O)CCCCC1CCSS1 Show InChI InChI=1S/C26H38ClN3O4S2/c1-4-28-26(34)24(32)21(16-18-9-11-19(27)12-10-18)30-25(33)22(15-17(2)3)29-23(31)8-6-5-7-20-13-14-35-36-20/h9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,28,34)(H,29,31)(H,30,33)/t20?,21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Santhera Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against cathepsin B |
Bioorg Med Chem Lett 15: 5176-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.064
BindingDB Entry DOI: 10.7270/Q23N2466 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50174317
((S)-2-(5-[1,2]dithiolan-3-yl-pentanoylamino)-4-met...)Show SMILES CCNC(=O)C(=O)C(Cc1ccc(Br)cc1)NC(=O)[C@H](CC(C)C)NC(=O)CCCCC1CCSS1 Show InChI InChI=1S/C26H38BrN3O4S2/c1-4-28-26(34)24(32)21(16-18-9-11-19(27)12-10-18)30-25(33)22(15-17(2)3)29-23(31)8-6-5-7-20-13-14-35-36-20/h9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,28,34)(H,29,31)(H,30,33)/t20?,21?,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Santhera Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against cathepsin B |
Bioorg Med Chem Lett 15: 5176-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.064
BindingDB Entry DOI: 10.7270/Q23N2466 |
More data for this
Ligand-Target Pair | |
Search and Browse
