Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sortase A' and Ligand = 'BDBM33302'   

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
Sortase A (Bacillus anthracis)	BDBM33302 (rhodanine, 1-3) Show SMILES Oc1c(Br)cc(cc1\C=C1/SC(=S)N(C1=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C16H8BrN3O6S2/c17-12-7-11(20(25)26)5-8(14(12)21)6-13-15(22)18(16(27)28-13)9-1-3-10(4-2-9)19(23)24/h1-7,21H/b13-6-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	7.5	25
University of California at Los Angeles					Assay Description A total of 30,000 chemical compounds (DiverSet Chemically Diverse Library and Combichem Library, ChemBridge Corp.) were screened for SrtA inhibition ...				Bioorg Med Chem 17: 7174-85 (2009) Article DOI: 10.1016/j.bmc.2009.08.067 BindingDB Entry DOI: 10.7270/Q26W98F0
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