BDBM50130836 CHEMBL275681::Nicotinic acid 8-(5-nitro-indol-1-yl)-octyl ester

SMILES: [O-][N+](=O)c1ccc2n(CCCCCCCCOC(=O)c3cccnc3)ccc2c1

InChI Key: InChIKey=NSDMNILWFJLDEN-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 = 50130836   

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)	BDBM50130836 (CHEMBL275681 | Nicotinic acid 8-(5-nitro-indol-1-y...) Show SMILES [O-][N+](=O)c1ccc2n(CCCCCCCCOC(=O)c3cccnc3)ccc2c1 Show InChI InChI=1S/C22H25N3O4/c26-22(19-8-7-12-23-17-19)29-15-6-4-2-1-3-5-13-24-14-11-18-16-20(25(27)28)9-10-21(18)24/h7-12,14,16-17H,1-6,13,15H2	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+6	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