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BDBM50070010 4-((2R,3R)-1-Benzylcarbamoyl-3-methyl-4-oxo-azetidin-2-yloxy)-benzoic acid::CHEMBL122575

SMILES: C[C@@H]1[C@@H](Oc2ccc(cc2)C(O)=O)N(C(=O)NCc2ccccc2)C1=O

InChI Key: InChIKey=BRYGRWNTDBRNDJ-YVEFUNNKSA-N

Data: 3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50070010   
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
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50070010
PNG
(4-((2R,3R)-1-Benzylcarbamoyl-3-methyl-4-oxo-azetid...)
Show SMILES C[C@@H]1[C@@H](Oc2ccc(cc2)C(O)=O)N(C(=O)NCc2ccccc2)C1=O
Show InChI InChI=1S/C19H18N2O5/c1-12-16(22)21(19(25)20-11-13-5-3-2-4-6-13)17(12)26-15-9-7-14(8-10-15)18(23)24/h2-10,12,17H,11H2,1H3,(H,20,25)(H,23,24)/t12-,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit the mammalian Chymotrypsinogen by 50% was determined


Citation and Details
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070010
PNG
(4-((2R,3R)-1-Benzylcarbamoyl-3-methyl-4-oxo-azetid...)
Show SMILES C[C@@H]1[C@@H](Oc2ccc(cc2)C(O)=O)N(C(=O)NCc2ccccc2)C1=O
Show InChI InChI=1S/C19H18N2O5/c1-12-16(22)21(19(25)20-11-13-5-3-2-4-6-13)17(12)26-15-9-7-14(8-10-15)18(23)24/h2-10,12,17H,11H2,1H3,(H,20,25)(H,23,24)/t12-,17+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit the mutant alpha-Ala HCMV protease by 50% was determined


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50070010
PNG
(4-((2R,3R)-1-Benzylcarbamoyl-3-methyl-4-oxo-azetid...)
Show SMILES C[C@@H]1[C@@H](Oc2ccc(cc2)C(O)=O)N(C(=O)NCc2ccccc2)C1=O
Show InChI InChI=1S/C19H18N2O5/c1-12-16(22)21(19(25)20-11-13-5-3-2-4-6-13)17(12)26-15-9-7-14(8-10-15)18(23)24/h2-10,12,17H,11H2,1H3,(H,20,25)(H,23,24)/t12-,17+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit the mammalian Acetylcholinesterase by 50% was determined


Citation and Details
More data for this
Ligand-Target Pair