BDBM8444 2-[(5Z)-4-oxo-5-[(5-phenylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid::Rhodanine-thiophene analogue 9

SMILES: OC(=O)CN1C(=S)S\C(=C/c2ccc(s2)-c2ccccc2)C1=O

InChI Key: InChIKey=JECOJOAJWLQFMW-JYRVWZFOSA-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 = 8444   

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)	BDBM8444 (2-[(5Z)-4-oxo-5-[(5-phenylthiophen-2-yl)methyliden...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(s2)-c2ccccc2)C1=O Show InChI InChI=1S/C16H11NO3S3/c18-14(19)9-17-15(20)13(23-16(17)21)8-11-6-7-12(22-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)/b13-8-	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	740	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					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...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair