Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM36641'   

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 (Bacteroides fragilis)	BDBM36641 (L-809,339) Show SMILES C(Oc1ccc2c3CCC=Cc3[nH]c2c1)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |c:9| Show InChI InChI=1S/C26H21N5O/c1-2-7-23(26-28-30-31-29-26)20(5-1)18-11-9-17(10-12-18)16-32-19-13-14-22-21-6-3-4-8-24(21)27-25(22)15-19/h1-2,4-5,7-15,27H,3,6,16H2,(H,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	7.0	37
Merck Research Laboratories					Assay Description Enzyme inhibition assay by biphenyl tetrazoles (BPTS)using metallo-beta-lactamase.				Chem Biol 5: 185-96 (1998) Article DOI: 10.1016/s1074-5521(98)90632-9 BindingDB Entry DOI: 10.7270/Q20R9MSC
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