BDBM50130820 4-[8-(2-Methoxycarbonyl-indol-1-yl)-octyloxycarbonyl]-1-methyl-pyridinium; iodide::CHEMBL113836

SMILES: COC(=O)c1cc2ccccc2n1CCCCCCCCOC(=O)c1cc[n+](C)cc1

InChI Key: InChIKey=BGVPZOQYANIEQZ-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 = 50130820   

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
NH(3)-dependent NAD(+) synthetase (Bacillus subtilis)	BDBM50130820 (4-[8-(2-Methoxycarbonyl-indol-1-yl)-octyloxycarbon...) Show SMILES COC(=O)c1cc2ccccc2n1CCCCCCCCOC(=O)c1cc[n+](C)cc1 Show InChI InChI=1S/C25H31N2O4/c1-26-16-13-20(14-17-26)24(28)31-18-10-6-4-3-5-9-15-27-22-12-8-7-11-21(22)19-23(27)25(29)30-2/h7-8,11-14,16-17,19H,3-6,9-10,15,18H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibitory activity against Bacillus subtilis NAD synthetase				J Med Chem 46: 3371-81 (2003) Article DOI: 10.1021/jm030003x BindingDB Entry DOI: 10.7270/Q25T3M6Q
					More data for this Ligand-Target Pair