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SMILES: [O-][N+](=O)c1cccc(c1)-c1ccc(C=NNC(=O)Cn2nnc(n2)N2CCOCC2)o1

InChI Key: InChIKey=WSRADJCXYWWXBM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50278302   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
NH(3)-dependent NAD(+) synthetase


(Bacillus anthracis)		BDBM50278302
PNG
(2-(5-morpholino-2H-tetrazol-2-yl)-N'-((5-(3-nitrop...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(C=NNC(=O)Cn2nnc(n2)N2CCOCC2)o1 |w:13.13|
Show InChI InChI=1S/C18H18N8O5/c27-17(12-25-22-18(21-23-25)24-6-8-30-9-7-24)20-19-11-15-4-5-16(31-15)13-2-1-3-14(10-13)26(28)29/h1-5,10-11H,6-9,12H2,(H,20,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.09E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase

Bioorg Med Chem Lett 19: 2001-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.034
BindingDB Entry DOI: 10.7270/Q2ST7PQC
More data for this
Ligand-Target Pair