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SMILES: Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1c(Br)cc(Br)cc1Br

InChI Key: InChIKey=PXVPGPRQAKOBQQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 33374   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sortase A (Bacillus anthracis)	BDBM33374 (pyrazolethione, 3-12) Show SMILES Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1c(Br)cc(Br)cc1Br |w:13.14| Show InChI InChI=1S/C17H12Br3N3S/c1-10-13(9-21-16-14(19)7-11(18)8-15(16)20)17(24)23(22-10)12-5-3-2-4-6-12/h2-9,22H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM33374 (pyrazolethione, 3-12) Show SMILES Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1c(Br)cc(Br)cc1Br |w:13.14| Show InChI InChI=1S/C17H12Br3N3S/c1-10-13(9-21-16-14(19)7-11(18)8-15(16)20)17(24)23(22-10)12-5-3-2-4-6-12/h2-9,22H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
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
					More data for this Ligand-Target Pair