BindingDB logo
myBDB logout

BDBM50065866 (2S,3S)-3-Allyl-2-benzyl-4-oxo-azetidine-1-carboxylic acid (pyridin-4-ylmethyl)-amide::CHEMBL95813

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

InChI Key: InChIKey=UBEULTXFXCQWQL-ROUUACIJSA-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 = 50065866   
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)
BDBM50065866
PNG
((2S,3S)-3-Allyl-2-benzyl-4-oxo-azetidine-1-carboxy...)
Show SMILES C=CC[C@H]1[C@H](Cc2ccccc2)N(C(=O)NCc2ccncc2)C1=O
Show InChI InChI=1S/C20H21N3O2/c1-2-6-17-18(13-15-7-4-3-5-8-15)23(19(17)24)20(25)22-14-16-9-11-21-12-10-16/h2-5,7-12,17-18H,1,6,13-14H2,(H,22,25)/t17-,18-/m0/s1
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>7.50E+4n/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)

More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50065866
PNG
((2S,3S)-3-Allyl-2-benzyl-4-oxo-azetidine-1-carboxy...)
Show SMILES C=CC[C@H]1[C@H](Cc2ccccc2)N(C(=O)NCc2ccncc2)C1=O
Show InChI InChI=1S/C20H21N3O2/c1-2-6-17-18(13-15-7-4-3-5-8-15)23(19(17)24)20(25)22-14-16-9-11-21-12-10-16/h2-5,7-12,17-18H,1,6,13-14H2,(H,22,25)/t17-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.00E+3n/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)

More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50065866
PNG
((2S,3S)-3-Allyl-2-benzyl-4-oxo-azetidine-1-carboxy...)
Show SMILES C=CC[C@H]1[C@H](Cc2ccccc2)N(C(=O)NCc2ccncc2)C1=O
Show InChI InChI=1S/C20H21N3O2/c1-2-6-17-18(13-15-7-4-3-5-8-15)23(19(17)24)20(25)22-14-16-9-11-21-12-10-16/h2-5,7-12,17-18H,1,6,13-14H2,(H,22,25)/t17-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 300n/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)

More data for this
Ligand-Target Pair