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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin (B and K)' and Ligand = 'BDBM50284944'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50284944
PNG
(((S)-1-(S)-Oxiranyl-2-phenyl-ethyl)-carbamic acid ...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)[C@H]1CO1)OCc1ccccc1
Show InChI InChI=1S/C18H19NO3/c20-18(22-12-15-9-5-2-6-10-15)19-16(17-13-21-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17+/m0/s1
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PC sid
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Patents

Article
0.0870n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 1767-1772 (1995)


Article DOI: 10.1016/0960-894X(95)00312-H
BindingDB Entry DOI: 10.7270/Q2MW2H4X
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50284944
PNG
(((S)-1-(S)-Oxiranyl-2-phenyl-ethyl)-carbamic acid ...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)[C@H]1CO1)OCc1ccccc1
Show InChI InChI=1S/C18H19NO3/c20-18(22-12-15-9-5-2-6-10-15)19-16(17-13-21-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
3.67E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic parameter of the compound (Ki mM) was evaluated for the inactivation of cathepsin B


Bioorg Med Chem Lett 5: 1767-1772 (1995)


Article DOI: 10.1016/0960-894X(95)00312-H
BindingDB Entry DOI: 10.7270/Q2MW2H4X
More data for this
Ligand-Target Pair