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BDBM50292749 1-[(1-Propionylpiperidin-4-yl)amino]ethaniminium bromide::CHEMBL473674

SMILES: CCOC(=O)N1CCC(CC1)\[NH+]=C(\C)N

InChI Key: InChIKey=ATFZSSRUOAMYPE-UHFFFAOYSA-O

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 = 50292749   
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, endothelial


(Homo sapiens (Human))
BDBM50292749
PNG
(1-[(1-Propionylpiperidin-4-yl)amino]ethaniminium b...)
Show SMILES CCOC(=O)N1CCC(CC1)\[NH+]=C(\C)N
Show InChI InChI=1S/C10H19N3O2/c1-3-15-10(14)13-6-4-9(5-7-13)12-8(2)11/h9H,3-7H2,1-2H3,(H2,11,12)/p+1
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of eNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...


J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50292749
PNG
(1-[(1-Propionylpiperidin-4-yl)amino]ethaniminium b...)
Show SMILES CCOC(=O)N1CCC(CC1)\[NH+]=C(\C)N
Show InChI InChI=1S/C10H19N3O2/c1-3-15-10(14)13-6-4-9(5-7-13)12-8(2)11/h9H,3-7H2,1-2H3,(H2,11,12)/p+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of iNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...


J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair