Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM83263'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Beta-lactamase (Pseudomonas aeruginosa)	BDBM83263 (MLS001065937 | N-butyl-2-(4-cyclohexylsulfanylphen...) Show SMILES CCCCNc1c(nc2cnccn12)-c1ccc(SC2CCCCC2)cc1 Show InChI InChI=1S/C22H28N4S/c1-2-3-13-24-22-21(25-20-16-23-14-15-26(20)22)17-9-11-19(12-10-17)27-18-7-5-4-6-8-18/h9-12,14-16,18,24H,2-8,13H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.71E+3	n/a	n/a	n/a	n/a	n/a	n/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
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