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Articleid 50029487

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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)
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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Article
0.0870n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic parameter (Ki 1/min) 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
Papain


(Carica papaya)
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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UniChem

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Article
0.208n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic parameter (Ki 1/min) was evaluated for the inactivation of papain


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)
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
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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
Papain


(Carica papaya)
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

UniProtKB/SwissProt

B.MOAD
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UniChem

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Article
5.74E+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 papain


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
* indicates data uncertainty>20%