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BDBM50121904 CHEMBL30401::[(S)-1-((3S,4R)-2-Oxo-4-phenoxy-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1

InChI Key: InChIKey=NGAUZCRIRRLFOO-SGIRGMQISA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50121904   
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
Cathepsin L1


(Homo sapiens (human))
BDBM50121904
PNG
(CHEMBL30401 | [(S)-1-((3S,4R)-2-Oxo-4-phenoxy-azet...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1
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PubMed
n/an/a 2.60n/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
Cathepsin B


(Rattus norvegicus)
BDBM50121904
PNG
(CHEMBL30401 | [(S)-1-((3S,4R)-2-Oxo-4-phenoxy-azet...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 430n/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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50121904
PNG
(CHEMBL30401 | [(S)-1-((3S,4R)-2-Oxo-4-phenoxy-azet...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1
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PubMed
n/an/a>3.00E+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 K


(Homo sapiens (human))
BDBM50121904
PNG
(CHEMBL30401 | [(S)-1-((3S,4R)-2-Oxo-4-phenoxy-azet...)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H](NC1=O)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C26H25N3O5/c30-23(28-22-24(31)29-25(22)34-20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)27-26(32)33-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,27,32)(H,28,30)(H,29,31)/t21-,22+,25+/m0/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 16n/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