BDBM50266769 CHEMBL476794::ethyl 2-(naphthalen-1-ylamino)-5-(4-nitrobenzylidene)-4-oxo-4,5-dihydrothiophene-3-carboxylate

SMILES: CCOC(=O)C1C(=O)C(SC1=Nc1cccc2ccccc12)=Cc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=RAKFWJWJWKXVEG-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 = 50266769   

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
Nicotinamide adenine dinucleotide synthetase (NADs) (Bacillus anthracis)	BDBM50266769 (CHEMBL476794 | ethyl 2-(naphthalen-1-ylamino)-5-(4...) Show SMILES CCOC(=O)C1C(=O)C(SC1=Nc1cccc2ccccc12)=Cc1ccc(cc1)[N+]([O-])=O |w:22.25,11.12| Show InChI InChI=1S/C24H18N2O5S/c1-2-31-24(28)21-22(27)20(14-15-10-12-17(13-11-15)26(29)30)32-23(21)25-19-9-5-7-16-6-3-4-8-18(16)19/h3-14,21H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis NAD synthetase				Bioorg Med Chem Lett 19: 2001-5 (2009) Article DOI: 10.1016/j.bmcl.2009.02.034 BindingDB Entry DOI: 10.7270/Q2ST7PQC
					More data for this Ligand-Target Pair