BDBM50130827 CHEMBL423145::[4-(8-Indol-1-yl-octyloxycarbonylmethyl)-phenyl]-trimethyl-ammonium; iodide

SMILES: C[N+](C)(C)c1ccc(CC(=O)OCCCCCCCCn2ccc3ccccc23)cc1

InChI Key: InChIKey=IDCAFLAESOUUJU-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 = 50130827   

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)	BDBM50130827 (CHEMBL423145 | [4-(8-Indol-1-yl-octyloxycarbonylme...) Show SMILES C[N+](C)(C)c1ccc(CC(=O)OCCCCCCCCn2ccc3ccccc23)cc1 Show InChI InChI=1S/C27H37N2O2/c1-29(2,3)25-16-14-23(15-17-25)22-27(30)31-21-11-7-5-4-6-10-19-28-20-18-24-12-8-9-13-26(24)28/h8-9,12-18,20H,4-7,10-11,19,21-22H2,1-3H3/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	6.30E+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