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BDBM50278414 CHEMBL469559::N-(3-(5,7-dimethylbenzo[d]oxazol-2-yl)phenyl)-3-(3-nitrophenyl)acrylamide

SMILES: Cc1cc(C)c2oc(nc2c1)-c1cccc(NC(=O)\C=C\c2cccc(c2)[N+]([O-])=O)c1

InChI Key: InChIKey=MUGWOYWBYPSGSI-MDZDMXLPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50278414   
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
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278414
PNG
(CHEMBL469559 | N-(3-(5,7-dimethylbenzo[d]oxazol-2-...)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1cccc(NC(=O)\C=C\c2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C24H19N3O4/c1-15-11-16(2)23-21(12-15)26-24(31-23)18-6-4-7-19(14-18)25-22(28)10-9-17-5-3-8-20(13-17)27(29)30/h3-14H,1-2H3,(H,25,28)/b10-9+
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6.80E+4n/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