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BDBM50444777 CHEMBL456206

SMILES: COc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1

InChI Key: InChIKey=ZILBUEHCEJYIFB-UHFFFAOYSA-N

Data: 2 KI

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 = 50444777   
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
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50444777
PNG
(CHEMBL456206)
Show SMILES COc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C23H26N2O2/c1-27-19-7-8-22-20(14-19)21(15-24-22)23(26)16-25-11-9-18(10-12-25)13-17-5-3-2-4-6-17/h2-8,14-15,18,24H,9-13,16H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.67E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from Wistar rat cerebral cortex glutamate NMDA receptor GluN2B subunit after 120 mins by scintillation counting analys...


Bioorg Med Chem 22: 393-7 (2013)


Article DOI: 10.1016/j.bmc.2013.11.014
BindingDB Entry DOI: 10.7270/Q2M32X79
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50444777
PNG
(CHEMBL456206)
Show SMILES COc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C23H26N2O2/c1-27-19-7-8-22-20(14-19)21(15-24-22)23(26)16-25-11-9-18(10-12-25)13-17-5-3-2-4-6-17/h2-8,14-15,18,24H,9-13,16H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor after 150 mins by scintillation counting analysis


Bioorg Med Chem 22: 393-7 (2013)


Article DOI: 10.1016/j.bmc.2013.11.014
BindingDB Entry DOI: 10.7270/Q2M32X79
More data for this
Ligand-Target Pair