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BDBM50004424 CHEMBL3238463

SMILES: [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cccc2ccccc12

InChI Key: InChIKey=HXNJCSPTZLUSKA-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 = 50004424   
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
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50004424
PNG
(CHEMBL3238463)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C17H11N3O5/c21-17(12-8-13(19(22)23)10-14(9-12)20(24)25)18-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H,(H,18,21)
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50004424
PNG
(CHEMBL3238463)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C17H11N3O5/c21-17(12-8-13(19(22)23)10-14(9-12)20(24)25)18-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H,(H,18,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...


Bioorg Med Chem 22: 2396-402 (2014)


Article DOI: 10.1016/j.bmc.2014.03.008
BindingDB Entry DOI: 10.7270/Q2X63PF9
More data for this
Ligand-Target Pair