BDBM50130822 CHEMBL116987::{4-[7-(2-Methoxycarbonyl-indol-1-yl)-heptyloxycarbonylmethyl]-phenyl}-trimethyl-ammonium; iodide

SMILES: COC(=O)c1cc2ccccc2n1CCCCCCCOC(=O)Cc1ccc(cc1)[N+](C)(C)C

InChI Key: InChIKey=RNIQEPISGSXLFB-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 = 50130822   

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)	BDBM50130822 (CHEMBL116987 | {4-[7-(2-Methoxycarbonyl-indol-1-yl...) Show SMILES COC(=O)c1cc2ccccc2n1CCCCCCCOC(=O)Cc1ccc(cc1)[N+](C)(C)C Show InChI InChI=1S/C28H37N2O4/c1-30(2,3)24-16-14-22(15-17-24)20-27(31)34-19-11-7-5-6-10-18-29-25-13-9-8-12-23(25)21-26(29)28(32)33-4/h8-9,12-17,21H,5-7,10-11,18-20H2,1-4H3/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	1.90E+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