BDBM50130801 3-[7-(5-Benzyloxy-2-methoxycarbonyl-indol-1-yl)-heptyloxycarbonyl]-1-methyl-pyridinium; iodide::CHEMBL114149

SMILES: COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCOC(=O)c1ccc[n+](C)c1

InChI Key: InChIKey=PDOBZRYYSXWTIA-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 = 50130801   

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)	BDBM50130801 (3-[7-(5-Benzyloxy-2-methoxycarbonyl-indol-1-yl)-he...) Show SMILES COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCOC(=O)c1ccc[n+](C)c1 Show InChI InChI=1S/C31H35N2O5/c1-32-17-11-14-25(22-32)30(34)37-19-10-5-3-4-9-18-33-28-16-15-27(38-23-24-12-7-6-8-13-24)20-26(28)21-29(33)31(35)36-2/h6-8,11-17,20-22H,3-5,9-10,18-19,23H2,1-2H3/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	1.80E+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