BDBM50130812 4-[8-(5-Benzyloxy-2-methoxycarbonyl-indol-1-yl)-octyloxycarbonyl]-1-methyl-pyridinium; iodide::CHEMBL325468

SMILES: COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCCOC(=O)c1cc[n+](C)cc1

InChI Key: InChIKey=MLJGWGFFCVHRCA-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 = 50130812   

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)	BDBM50130812 (4-[8-(5-Benzyloxy-2-methoxycarbonyl-indol-1-yl)-oc...) Show SMILES COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCCOC(=O)c1cc[n+](C)cc1 Show InChI InChI=1S/C32H37N2O5/c1-33-19-16-26(17-20-33)31(35)38-21-11-6-4-3-5-10-18-34-29-15-14-28(39-24-25-12-8-7-9-13-25)22-27(29)23-30(34)32(36)37-2/h7-9,12-17,19-20,22-23H,3-6,10-11,18,21,24H2,1-2H3/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	1.00E+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