BDBM50130809 3-[6-(5-Benzyloxy-indol-1-yl)-hexyloxycarbonyl]-1-methyl-pyridinium; iodide::CHEMBL324149

SMILES: C[n+]1cccc(c1)C(=O)OCCCCCCn1ccc2cc(OCc3ccccc3)ccc12

InChI Key: InChIKey=LLWDRATYRVRDAK-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 = 50130809   

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)	BDBM50130809 (3-[6-(5-Benzyloxy-indol-1-yl)-hexyloxycarbonyl]-1-...) Show SMILES C[n+]1cccc(c1)C(=O)OCCCCCCn1ccc2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C28H31N2O3/c1-29-16-9-12-25(21-29)28(31)32-19-8-3-2-7-17-30-18-15-24-20-26(13-14-27(24)30)33-22-23-10-5-4-6-11-23/h4-6,9-16,18,20-21H,2-3,7-8,17,19,22H2,1H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+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