BDBM28913 2-mercaptoacetamide, 12l::N-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]-2-sulfanylacetamide

SMILES: [O-][N+](=O)c1ccc(cc1)-c1cc(NC(=O)CS)[nH]n1

InChI Key: InChIKey=BBOUKZWQQYAVLA-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 = 28913   

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)	BDBM28913 (2-mercaptoacetamide, 12l | N-[3-(4-nitrophenyl)-1H...) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(NC(=O)CS)[nH]n1 Show InChI InChI=1S/C11H10N4O3S/c16-11(6-19)12-10-5-9(13-14-10)7-1-3-8(4-2-7)15(17)18/h1-5,19H,6H2,(H2,12,13,14,16)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+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