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BDBM36439 CID7100106::ZINC04105014, 3

SMILES: [O-]C(=O)[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F

InChI Key: InChIKey=QTWGHTBKFVANGX-RQJHMYQMSA-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 = 36439   
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
Beta-lactamase


(Escherichia coli)
BDBM36439
PNG
(CID7100106 | ZINC04105014, 3)
Show SMILES [O-]C(=O)[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F
Show InChI InChI=1S/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/p-1/t6-,7+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
3.10E+6n/an/an/an/an/an/a7.0n/a



University of California, San Francisco



Assay Description
Class C Beta-lactamase AmpC inhibition assay


Nat Chem Biol 5: 358-64 (2009)


Article DOI: 10.1038/nchembio.155
BindingDB Entry DOI: 10.7270/Q24M92WZ
More data for this
Ligand-Target Pair
Beta-lactamase CTX-M-1


(Escherichia coli)
BDBM36439
PNG
(CID7100106 | ZINC04105014, 3)
Show SMILES [O-]C(=O)[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F
Show InChI InChI=1S/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/p-1/t6-,7+/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
3.10E+6n/an/an/an/an/an/a7.0n/a



University of California, San Francisco



Assay Description
Class A Beta-lactamase CTX-M inhibition assay


Nat Chem Biol 5: 358-64 (2009)


Article DOI: 10.1038/nchembio.155
BindingDB Entry DOI: 10.7270/Q24M92WZ
More data for this
Ligand-Target Pair