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SMILES: CCOc1c(S)cnn(-c2ccccc2)c1=O

InChI Key: InChIKey=FTEDVERZAAIDFU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 33314   

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 family protein (Staphylococcus aureus)	BDBM33314 (pyridazinone, 2-1 | pyridazinone, 2-10) Show SMILES CCOc1c(S)cnn(-c2ccccc2)c1=O Show InChI InChI=1S/C12H12N2O2S/c1-2-16-11-10(17)8-13-14(12(11)15)9-6-4-3-5-7-9/h3-8,17H,2H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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
					More data for this Ligand-Target Pair
Sortase A (Bacillus anthracis)	BDBM33314 (pyridazinone, 2-1 | pyridazinone, 2-10) Show SMILES CCOc1c(S)cnn(-c2ccccc2)c1=O Show InChI InChI=1S/C12H12N2O2S/c1-2-16-11-10(17)8-13-14(12(11)15)9-6-4-3-5-7-9/h3-8,17H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+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)	BDBM33314 (pyridazinone, 2-1 | pyridazinone, 2-10) Show SMILES CCOc1c(S)cnn(-c2ccccc2)c1=O Show InChI InChI=1S/C12H12N2O2S/c1-2-16-11-10(17)8-13-14(12(11)15)9-6-4-3-5-7-9/h3-8,17H,2H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	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 A (Bacillus anthracis)	BDBM33314 (pyridazinone, 2-1 | pyridazinone, 2-10) Show SMILES CCOc1c(S)cnn(-c2ccccc2)c1=O Show InChI InChI=1S/C12H12N2O2S/c1-2-16-11-10(17)8-13-14(12(11)15)9-6-4-3-5-7-9/h3-8,17H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	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
					More data for this Ligand-Target Pair