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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM83232'   
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


(Pseudomonas aeruginosa)
BDBM83232
PNG
(4-N-benzyl-6-morpholin-4-yl-2-N-[[5-(4-nitrophenyl...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(CN=Nc2nc(NCc3ccccc3)nc(n2)N2CCOCC2)o1 |w:15.16|
Show InChI InChI=1S/C25H24N8O4/c34-33(35)20-8-6-19(7-9-20)22-11-10-21(37-22)17-27-31-24-28-23(26-16-18-4-2-1-3-5-18)29-25(30-24)32-12-14-36-15-13-32/h1-11H,12-17H2,(H,26,28,29,30)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair