BDBM33371 pyrazolethione, 3-9

SMILES: Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(cc1)N=Nc1ccccc1

InChI Key: InChIKey=BFQNGOFGQJAOFH-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 33371   

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)	BDBM33371 (pyrazolethione, 3-9) Show SMILES Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(cc1)N=Nc1ccccc1 |w:13.14,21.23| Show InChI InChI=1S/C23H19N5S/c1-17-22(23(29)28(27-17)21-10-6-3-7-11-21)16-24-18-12-14-20(15-13-18)26-25-19-8-4-2-5-9-19/h2-16,27H,1H3	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+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)	BDBM33371 (pyrazolethione, 3-9) Show SMILES Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(cc1)N=Nc1ccccc1 |w:13.14,21.23| Show InChI InChI=1S/C23H19N5S/c1-17-22(23(29)28(27-17)21-10-6-3-7-11-21)16-24-18-12-14-20(15-13-18)26-25-19-8-4-2-5-9-19/h2-16,27H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+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