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BDBM50273974 3-fluoro-2-oxopropanoate

SMILES: [O-]C(=O)C(=O)CF

InChI Key: InChIKey=CXABZTLXNODUTD-UHFFFAOYSA-M

Data: 2 KI

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 2 hits for monomerid = 50273974   
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
Dihydrodipicolinate synthase


(Escherichia coli (strain K12))
BDBM50273974
PNG
(3-fluoro-2-oxopropanoate)
Show SMILES [O-]C(=O)C(=O)CF
Show InChI InChI=1S/C3H3FO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)/p-1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
2.20E+5n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DHDPS


Bioorg Med Chem 16: 9975-83 (2008)


Article DOI: 10.1016/j.bmc.2008.10.026
BindingDB Entry DOI: 10.7270/Q2FN1748
More data for this
Ligand-Target Pair
Mandelate racemase (MR)


(Pseudomonas putida (g-Proteobacteria))
BDBM50273974
PNG
(3-fluoro-2-oxopropanoate)
Show SMILES [O-]C(=O)C(=O)CF
Show InChI InChI=1S/C3H3FO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)/p-1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
1.30E+6n/an/an/an/an/an/a7.5n/a



Dalhousie University



Assay Description
MR activity was assayed using a CD-based assay by following the change in ellipticity of mandelate at 262 nm using a thermostated quartz cuvette with...


Biochemistry 54: 2747-57 (2015)


Article DOI: 10.1021/acs.biochem.5b00221
BindingDB Entry DOI: 10.7270/Q2ZK5FDT
More data for this
Ligand-Target Pair