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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase CTX-M-1' and Ligand = 'BDBM36449'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-lactamase CTX-M-1


(Escherichia coli)
BDBM36449
PNG
(CID25181262 | ZINC12596968, 13)
Show SMILES Cn1cc(C(=O)Nc2cccc(c2)-c2nn[n-]n2)c2ccccc12
Show InChI InChI=1S/C17H14N6O/c1-23-10-14(13-7-2-3-8-15(13)23)17(24)18-12-6-4-5-11(9-12)16-19-21-22-20-16/h2-10H,1H3,(H2,18,19,20,21,22,24)/p-1
PDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
1.00E+4n/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