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BDBM50385266 CHEMBL2035295

SMILES: OB(O)CNC(=O)c1ccccc1C(F)(F)F

InChI Key: InChIKey=VXPCKGWBOQCGNA-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50385266   
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
D-alanyl-D-alanine carboxypeptidase


(Actinomadura sp. (strain R39))
BDBM50385266
PNG
(CHEMBL2035295)
Show SMILES OB(O)CNC(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C9H9BF3NO3/c11-9(12,13)7-4-2-1-3-6(7)8(15)14-5-10(16)17/h1-4,16-17H,5H2,(H,14,15)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Inhibition of Actinomadura sp. R39 PBP using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB-based spectrophotometry


Bioorg Med Chem 20: 3915-24 (2012)


Article DOI: 10.1016/j.bmc.2012.04.018
BindingDB Entry DOI: 10.7270/Q200034N
More data for this
Ligand-Target Pair
Penicillin-binding protein 2X


(Streptococcus pneumoniae R6)
BDBM50385266
PNG
(CHEMBL2035295)
Show SMILES OB(O)CNC(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C9H9BF3NO3/c11-9(12,13)7-4-2-1-3-6(7)8(15)14-5-10(16)17/h1-4,16-17H,5H2,(H,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.81E+5n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2x using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB...


Bioorg Med Chem 20: 3915-24 (2012)


Article DOI: 10.1016/j.bmc.2012.04.018
BindingDB Entry DOI: 10.7270/Q200034N
More data for this
Ligand-Target Pair