BDBM28918 2-mercaptoacetamide, 12f::2-sulfanyl-N-{3-[2-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}acetamide

SMILES: FC(F)(F)c1ccccc1-c1cc(NC(=O)CS)[nH]n1

InChI Key: InChIKey=ZBBUSWWGEUKZPT-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 28918   

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
Botulinum Neurotoxin Type A (Clostridium botulinum)	BDBM28918 (2-mercaptoacetamide, 12f | 2-sulfanyl-N-{3-[2-(tri...) Show SMILES FC(F)(F)c1ccccc1-c1cc(NC(=O)CS)[nH]n1 Show InChI InChI=1S/C12H10F3N3OS/c13-12(14,15)8-4-2-1-3-7(8)9-5-10(18-17-9)16-11(19)6-20/h1-5,20H,6H2,(H2,16,17,18,19)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	7.4	22
Absolute Science, Inc.					Assay Description Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured cont...				Bioorg Med Chem 17: 3072-9 (2009) Article DOI: 10.1016/j.bmc.2009.03.013 BindingDB Entry DOI: 10.7270/Q2G44NMS
					More data for this Ligand-Target Pair