BDBM50130837 CHEMBL320573::{4-[4-(5-Benzyloxy-indol-1-yl)-butoxycarbonylmethyl]-phenyl}-trimethyl-ammonium; iodide

SMILES: C[N+](C)(C)c1ccc(CC(=O)OCCCCn2ccc3cc(OCc4ccccc4)ccc23)cc1

InChI Key: InChIKey=HNFVVDKLDDCYSV-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 = 50130837   

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)	BDBM50130837 (CHEMBL320573 | {4-[4-(5-Benzyloxy-indol-1-yl)-buto...) Show SMILES C[N+](C)(C)c1ccc(CC(=O)OCCCCn2ccc3cc(OCc4ccccc4)ccc23)cc1 Show InChI InChI=1S/C30H35N2O3/c1-32(2,3)27-13-11-24(12-14-27)21-30(33)34-20-8-7-18-31-19-17-26-22-28(15-16-29(26)31)35-23-25-9-5-4-6-10-25/h4-6,9-17,19,22H,7-8,18,20-21,23H2,1-3H3/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	8.40E+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