BDBM92598 NAD Synthetase Inhibitor, 3

SMILES: COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCOC(=O)Cc1ccc[n+](C)c1

InChI Key: InChIKey=XQIQVUZCEKJPNU-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 = 92598   

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
NAD synthetase (Homo sapiens (Human))	BDBM92598 (NAD Synthetase Inhibitor, 3) Show SMILES COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCCOC(=O)Cc1ccc[n+](C)c1 Show InChI InChI=1S/C32H37N2O5/c1-33-17-11-14-26(23-33)20-31(35)38-19-10-5-3-4-9-18-34-29-16-15-28(39-24-25-12-7-6-8-13-25)21-27(29)22-30(34)32(36)37-2/h6-8,11-17,21-23H,3-5,9-10,18-20,24H2,1-2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.33E+4	n/a	n/a	n/a	n/a	8.5	37
National Institutes of Health					Assay Description Inhibition assay using NAD synthetase.				J Biol Chem 283: 19329-41 (2008) Article DOI: 10.1074/jbc.M800694200 BindingDB Entry DOI: 10.7270/Q27P8X0W
					More data for this Ligand-Target Pair