BindingDB logo
myBDB logout

BDBM50065877 (2S,3S)-2-Benzyl-3-methoxy-4-oxo-azetidine-1-carboxylic acid (pyridin-4-ylmethyl)-amide::CHEMBL318482

SMILES: CO[C@H]1[C@H](Cc2ccccc2)N(C(=O)NCc2ccncc2)C1=O

InChI Key: InChIKey=MPJKKWKZCQFDKW-HOTGVXAUSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50065877   
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
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50065877
PNG
((2S,3S)-2-Benzyl-3-methoxy-4-oxo-azetidine-1-carbo...)
Show SMILES CO[C@H]1[C@H](Cc2ccccc2)N(C(=O)NCc2ccncc2)C1=O
Show InChI InChI=1S/C18H19N3O3/c1-24-16-15(11-13-5-3-2-4-6-13)21(17(16)22)18(23)20-12-14-7-9-19-10-8-14/h2-10,15-16H,11-12H2,1H3,(H,20,23)/t15-,16-/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus (HCMV) protease


J Med Chem 41: 2882-91 (1998)


Article DOI: 10.1021/jm980131z
BindingDB Entry DOI: 10.7270/Q2X63M2J
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50065877
PNG
((2S,3S)-2-Benzyl-3-methoxy-4-oxo-azetidine-1-carbo...)
Show SMILES CO[C@H]1[C@H](Cc2ccccc2)N(C(=O)NCc2ccncc2)C1=O
Show InChI InChI=1S/C18H19N3O3/c1-24-16-15(11-13-5-3-2-4-6-13)21(17(16)22)18(23)20-12-14-7-9-19-10-8-14/h2-10,15-16H,11-12H2,1H3,(H,20,23)/t15-,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its activity against bovine pancreatic Alpha-chymotrypsin (BPC)


J Med Chem 41: 2882-91 (1998)


Article DOI: 10.1021/jm980131z
BindingDB Entry DOI: 10.7270/Q2X63M2J
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50065877
PNG
((2S,3S)-2-Benzyl-3-methoxy-4-oxo-azetidine-1-carbo...)
Show SMILES CO[C@H]1[C@H](Cc2ccccc2)N(C(=O)NCc2ccncc2)C1=O
Show InChI InChI=1S/C18H19N3O3/c1-24-16-15(11-13-5-3-2-4-6-13)21(17(16)22)18(23)20-12-14-7-9-19-10-8-14/h2-10,15-16H,11-12H2,1H3,(H,20,23)/t15-,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its activity against human leukocyte elastase(HLE)


J Med Chem 41: 2882-91 (1998)


Article DOI: 10.1021/jm980131z
BindingDB Entry DOI: 10.7270/Q2X63M2J
More data for this
Ligand-Target Pair