BDBM8451 2-[(5Z)-5-{[5-(4-bromophenyl)-1,3-thiazol-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid::Rhodanine-thiazole analogue 16

SMILES: OC(=O)CN1C(=S)S\C(=C/c2ncc(s2)-c2ccc(Br)cc2)C1=O

InChI Key: InChIKey=NODKHKFIEDWPSF-YHYXMXQVSA-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 = 8451   

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
Anthrax Lethal Factor (LF) (Bacillus anthracis)	BDBM8451 (2-[(5Z)-5-{[5-(4-bromophenyl)-1,3-thiazol-2-yl]met...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ncc(s2)-c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C15H9BrN2O3S3/c16-9-3-1-8(2-4-9)11-6-17-12(23-11)5-10-14(21)18(7-13(19)20)15(22)24-10/h1-6H,7H2,(H,19,20)/b10-5-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair