BDBM50130802 CHEMBL325650::{4-[8-(5-Benzyloxy-2-methoxycarbonyl-indol-1-yl)-octyloxycarbonylmethyl]-phenyl}-trimethyl-ammonium; iodide

SMILES: COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCCOC(=O)Cc1ccc(cc1)[N+](C)(C)C

InChI Key: InChIKey=MZXXZPWUKUBCPS-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 = 50130802   

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)	BDBM50130802 (CHEMBL325650 | {4-[8-(5-Benzyloxy-2-methoxycarbony...) Show SMILES COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCCOC(=O)Cc1ccc(cc1)[N+](C)(C)C Show InChI InChI=1S/C36H45N2O5/c1-38(2,3)31-18-16-28(17-19-31)24-35(39)42-23-13-8-6-5-7-12-22-37-33-21-20-32(43-27-29-14-10-9-11-15-29)25-30(33)26-34(37)36(40)41-4/h9-11,14-21,25-26H,5-8,12-13,22-24,27H2,1-4H3/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	2.00E+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