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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM51266'   
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)
BDBM51266
PNG
(3-Benzoyl-5-(2-methoxy-phenyl)-1-phenyl-3a,6a-dihy...)
Show SMILES COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1 |(5.39,4.42,;6.16,3.08,;5.39,1.75,;3.85,1.75,;3.08,.41,;3.85,-.92,;5.39,-.92,;6.16,.41,;7.7,.41,;8.61,-.83,;8.13,-2.3,;10.07,-.36,;11.53,-.83,;12.43,.41,;11.53,1.65,;12.01,3.12,;10.98,4.26,;13.51,3.44,;13.99,4.9,;15.5,5.22,;16.53,4.07,;16.05,2.61,;14.54,2.29,;10.07,1.18,;8.61,1.66,;8.13,3.12,;12.01,-2.29,;13.51,-2.61,;13.99,-4.07,;12.96,-5.22,;11.46,-4.9,;10.98,-3.44,)|
Show InChI InChI=1S/C25H19N3O4/c1-32-19-15-9-8-14-18(19)27-24(30)20-21(23(29)16-10-4-2-5-11-16)26-28(22(20)25(27)31)17-12-6-3-7-13-17/h2-15,26,31H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.37E+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