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BDBM50121911 Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylamino-3-phenyl-propionylamino)-4-oxo-azetidin-2-yl ester::CHEMBL285585

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1

InChI Key: InChIKey=HFXHAUDVMVAJNA-FBLLAGFSSA-N

Data: 5 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50121911   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM50121911
PNG
(Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylami...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C27H25N3O6/c31-23(29-22-24(32)30-25(22)36-26(33)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)28-27(34)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,28,34)(H,29,31)(H,30,32)/t21-,22+,25-/m0/s1
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase(HLE)


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Rattus norvegicus)
BDBM50121911
PNG
(Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylami...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C27H25N3O6/c31-23(29-22-24(32)30-25(22)36-26(33)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)28-27(34)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,28,34)(H,29,31)(H,30,32)/t21-,22+,25-/m0/s1
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PubMed
n/an/a 2.75E+4n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Cathepsin B


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (human))
BDBM50121911
PNG
(Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylami...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C27H25N3O6/c31-23(29-22-24(32)30-25(22)36-26(33)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)28-27(34)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,28,34)(H,29,31)(H,30,32)/t21-,22+,25-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin K


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50121911
PNG
(Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylami...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C27H25N3O6/c31-23(29-22-24(32)30-25(22)36-26(33)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)28-27(34)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,28,34)(H,29,31)(H,30,32)/t21-,22+,25-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin S


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
BDBM50121911
PNG
(Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylami...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C27H25N3O6/c31-23(29-22-24(32)30-25(22)36-26(33)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)28-27(34)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,28,34)(H,29,31)(H,30,32)/t21-,22+,25-/m0/s1
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PC sid
UniChem

Similars

PubMed
n/an/a 166n/an/an/an/an/an/a



currently NAEJA Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin L


Citation and Details
More data for this
Ligand-Target Pair