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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM83251'   
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)		BDBM83251
PNG
(6-[2-(4-aminophenyl)ethynyl]-2,3-dimethoxy-9-xanth...)
Show SMILES COc1cc2oc3cc(ccc3c(=O)c2cc1OC)C#Cc1ccc(N)cc1
Show InChI InChI=1S/C23H17NO4/c1-26-21-12-18-20(13-22(21)27-2)28-19-11-15(7-10-17(19)23(18)25)4-3-14-5-8-16(24)9-6-14/h5-13H,24H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.60E+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