BDBM8454 (5E)-5-({5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2-imino-1-methylimidazolidin-4-one::Creatinine-furan analogue 19

SMILES: CN1C(=N)NC(=O)\C1=C/c1ccc(o1)-c1cc(ccc1Cl)C(F)(F)F

InChI Key: InChIKey=GYLRKTYBPJOZLC-KPKJPENVSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 8454   

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)	BDBM8454 ((5E)-5-({5-[2-chloro-5-(trifluoromethyl)phenyl]fur...) Show SMILES CN1C(=N)NC(=O)\C1=C/c1ccc(o1)-c1cc(ccc1Cl)C(F)(F)F Show InChI InChI=1S/C16H11ClF3N3O2/c1-23-12(14(24)22-15(23)21)7-9-3-5-13(25-9)10-6-8(16(18,19)20)2-4-11(10)17/h2-7H,1H3,(H2,21,22,24)/b12-7+	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	1.00E+5	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