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BDBM25323 2-({7-[(3-hydroxyphenyl)amino]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)-5-nitrophenol::ChemBridge benzoxadiazole, 18

InChI string: InChI=1S/C18H12N6O7/c25-11-3-1-2-9(6-11)19-13-8-14(18(24(29)30)17-16(13)21-31-22-17)20-12-5-4-10(23(27)28)7-15(12)26/h1-8,19-20,25-26H

SMILES: Oc1cccc(Nc2cc(Nc3ccc(cc3O)[N+]([O-])=O)c([N+]([O-])=O)c3nonc23)c1

InChI Key: InChIKey=HFBWRVRWOWDQHQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 25323   
Target
(Institution)
LigandTarget
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
ATP Phosphoribosyltransferase


(Mycobacterium tuberculosis)
BDBM25323
PNG
(2-({7-[(3-hydroxyphenyl)amino]-4-nitro-2,1,3-benzo...)
Show SMILES Oc1cccc(Nc2cc(Nc3ccc(cc3O)[N+]([O-])=O)c([N+]([O-])=O)c3nonc23)c1
Show InChI InChI=1S/C18H12N6O7/c25-11-3-1-2-9(6-11)19-13-8-14(18(24(29)30)17-16(13)21-31-22-17)20-12-5-4-10(23(27)28)7-15(12)26/h1-8,19-20,25-26H
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.19E+4n/an/an/an/a8.522



Yale University



Assay Description
Inhibition activity was determined using an assay that followed the production of PR-ATP spectrophotometrically. Enzymatic reaction was initiated by ...


J Med Chem 51: 5984-92 (2008)

More data for this
Ligand-Target Pair