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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM83265'   
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)		BDBM83265
PNG
(6-(4-benzylpiperidin-1-yl)-N-[(3-fluorophenyl)meth...)
Show SMILES Fc1cccc(CNC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C33H29FN2O4S/c34-25-9-4-8-24(19-25)21-35-33(38)28-10-5-11-29-31(28)32(37)27-13-12-26(20-30(27)41(29,39)40)36-16-14-23(15-17-36)18-22-6-2-1-3-7-22/h1-13,19-20,23H,14-18,21H2,(H,35,38)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 3.21E+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