BDBM50130821 CHEMBL115254::{4-[6-(5-Benzyloxy-indol-1-yl)-hexyloxycarbonylmethyl]-phenyl}-trimethyl-ammonium; iodide

SMILES: C[N+](C)(C)c1ccc(CC(=O)OCCCCCCn2ccc3cc(OCc4ccccc4)ccc23)cc1

InChI Key: InChIKey=LEBUKWLNEQVCIZ-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 = 50130821   

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)	BDBM50130821 (CHEMBL115254 | {4-[6-(5-Benzyloxy-indol-1-yl)-hexy...) Show SMILES C[N+](C)(C)c1ccc(CC(=O)OCCCCCCn2ccc3cc(OCc4ccccc4)ccc23)cc1 Show InChI InChI=1S/C32H39N2O3/c1-34(2,3)29-15-13-26(14-16-29)23-32(35)36-22-10-5-4-9-20-33-21-19-28-24-30(17-18-31(28)33)37-25-27-11-7-6-8-12-27/h6-8,11-19,21,24H,4-5,9-10,20,22-23,25H2,1-3H3/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	6.90E+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