Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sortase family protein' and Ligand = 'BDBM33301'   

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 family protein (Staphylococcus aureus)	BDBM33301 (US10849901, Compound 115 | rhodanine, 1-2) Show SMILES Cc1cccc(c1)N1C(=S)S\C(=C/c2cc(cc(Br)c2O)[N+]([O-])=O)C1=O Show InChI InChI=1S/C17H11BrN2O4S2/c1-9-3-2-4-11(5-9)19-16(22)14(26-17(19)25)7-10-6-12(20(23)24)8-13(18)15(10)21/h2-8,21H,1H3/b14-7-	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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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