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BDBM83248 Acetic acid 3-(6-nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-phenyl ester::MLS001212837::SMR000514298::[3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] acetate::[3-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]phenyl] ethanoate::acetic acid [3-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)phenyl] ester::acetic acid [3-(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)phenyl] ester::cid_1103612

SMILES: CC(=O)Oc1cccc(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O

InChI Key: InChIKey=OLNLUYUTPMOILY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 83248   
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
Beta lactamase


(Pseudomonas aeruginosa)
BDBM83248
PNG
(Acetic acid 3-(6-nitro-1,3-dioxo-1H,3H-benzo[de]is...)
Show SMILES CC(=O)Oc1cccc(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C20H12N2O6/c1-11(23)28-13-5-2-4-12(10-13)21-19(24)15-7-3-6-14-17(22(26)27)9-8-16(18(14)15)20(21)25/h2-10H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 4.50E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


Article DOI: 10.1021/bi500887n
BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM83248
PNG
(Acetic acid 3-(6-nitro-1,3-dioxo-1H,3H-benzo[de]is...)
Show SMILES CC(=O)Oc1cccc(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C20H12N2O6/c1-11(23)28-13-5-2-4-12(10-13)21-19(24)15-7-3-6-14-17(22(26)27)9-8-16(18(14)15)20(21)25/h2-10H,1H3
UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 4.14E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


Article DOI: 10.1021/bi500711x
BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair