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BDBM50363632 CHEMBL1945917

SMILES: [O-][N+](=O)c1cn(CC(=O)c2ccc(cc2)[N+]([O-])=O)cn1

InChI Key: InChIKey=SXOSRCSTVJIUCG-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50363632   
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
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50363632
PNG
(CHEMBL1945917)
Show SMILES [O-][N+](=O)c1cn(CC(=O)c2ccc(cc2)[N+]([O-])=O)cn1
Show InChI InChI=1S/C11H8N4O5/c16-10(5-13-6-11(12-7-13)15(19)20)8-1-3-9(4-2-8)14(17)18/h1-4,6-7H,5H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of oxyhemoglobin to methemoglobin by UV spectro...


Eur J Med Chem 49: 118-26 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.002
BindingDB Entry DOI: 10.7270/Q2416XHC
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363632
PNG
(CHEMBL1945917)
Show SMILES [O-][N+](=O)c1cn(CC(=O)c2ccc(cc2)[N+]([O-])=O)cn1
Show InChI InChI=1S/C11H8N4O5/c16-10(5-13-6-11(12-7-13)15(19)20)8-1-3-9(4-2-8)14(17)18/h1-4,6-7H,5H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Eur J Med Chem 49: 118-26 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.002
BindingDB Entry DOI: 10.7270/Q2416XHC
More data for this
Ligand-Target Pair