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SMILES: [O-][N+](=O)c1ccc2CCN(CCCCn3nc(oc3=O)-c3ccccc3)Cc2c1

InChI Key: InChIKey=AWTXNAHLTNCUNG-UHFFFAOYSA-N

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 3 hits for monomerid = 50502550   
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
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50502550
PNG
(CHEMBL4454333)
Show SMILES [O-][N+](=O)c1ccc2CCN(CCCCn3nc(oc3=O)-c3ccccc3)Cc2c1
Show InChI InChI=1S/C21H22N4O4/c26-21-24(22-20(29-21)17-6-2-1-3-7-17)12-5-4-11-23-13-10-16-8-9-19(25(27)28)14-18(16)15-23/h1-3,6-9,14H,4-5,10-13,15H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
383n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes in the presence of sigma1 receptor ligand (+)-pentazocine incuba...


Eur J Med Chem 180: 268-282 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.012
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B


(Homo sapiens (Human))
BDBM50502550
PNG
(CHEMBL4454333)
Show SMILES [O-][N+](=O)c1ccc2CCN(CCCCn3nc(oc3=O)-c3ccccc3)Cc2c1
Show InChI InChI=1S/C21H22N4O4/c26-21-24(22-20(29-21)17-6-2-1-3-7-17)12-5-4-11-23-13-10-16-8-9-19(25(27)28)14-18(16)15-23/h1-3,6-9,14H,4-5,10-13,15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
412n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from GluN1a/GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by solid scintillation cou...


Eur J Med Chem 180: 268-282 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.012
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50502550
PNG
(CHEMBL4454333)
Show SMILES [O-][N+](=O)c1ccc2CCN(CCCCn3nc(oc3=O)-c3ccccc3)Cc2c1
Show InChI InChI=1S/C21H22N4O4/c26-21-24(22-20(29-21)17-6-2-1-3-7-17)12-5-4-11-23-13-10-16-8-9-19(25(27)28)14-18(16)15-23/h1-3,6-9,14H,4-5,10-13,15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
829n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by solid scintillation counting...


Eur J Med Chem 180: 268-282 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.012
More data for this
Ligand-Target Pair