BDBM50130833 CHEMBL323716::Nicotinic acid 4-(5-nitro-indol-1-yl)-butyl ester

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

InChI Key: InChIKey=LBLCXMMSDOJETI-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 = 50130833   

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)	BDBM50130833 (CHEMBL323716 | Nicotinic acid 4-(5-nitro-indol-1-y...) Show SMILES [O-][N+](=O)c1ccc2n(CCCCOC(=O)c3cccnc3)ccc2c1 Show InChI InChI=1S/C18H17N3O4/c22-18(15-4-3-8-19-13-15)25-11-2-1-9-20-10-7-14-12-16(21(23)24)5-6-17(14)20/h3-8,10,12-13H,1-2,9,11H2	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