BDBM50130810 3-[5-(5-Benzyloxy-indol-1-yl)-pentyloxycarbonyl]-1-methyl-pyridinium; iodide::CHEMBL113890

SMILES: C[n+]1cccc(c1)C(=O)OCCCCCn1ccc2cc(OCc3ccccc3)ccc12

InChI Key: InChIKey=IRRYVWLNNHUYRO-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 = 50130810   

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)	BDBM50130810 (3-[5-(5-Benzyloxy-indol-1-yl)-pentyloxycarbonyl]-1...) Show SMILES C[n+]1cccc(c1)C(=O)OCCCCCn1ccc2cc(OCc3ccccc3)ccc12 Show InChI InChI=1S/C27H29N2O3/c1-28-15-8-11-24(20-28)27(30)31-18-7-3-6-16-29-17-14-23-19-25(12-13-26(23)29)32-21-22-9-4-2-5-10-22/h2,4-5,8-15,17,19-20H,3,6-7,16,18,21H2,1H3/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	9.40E+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