BindingDB logo
myBDB logout

BDBM50260561 CHEMBL4071325

SMILES: C([C@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1)c1ccccc1

InChI Key: InChIKey=VCXGMWMEDVHRTD-SANMLTNESA-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 = 50260561   
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-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50260561
PNG
(CHEMBL4071325)
Show SMILES C([C@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H30N2/c1-4-11-23(12-5-1)19-26-22-27(20-24-13-6-2-7-14-24)17-10-18-28(26)21-25-15-8-3-9-16-25/h1-9,11-16,26H,10,17-22H2/t26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
71n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting


Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM50260561
PNG
(CHEMBL4071325)
Show SMILES C([C@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H30N2/c1-4-11-23(12-5-1)19-26-22-27(20-24-13-6-2-7-14-24)17-10-18-28(26)21-25-15-8-3-9-16-25/h1-9,11-16,26H,10,17-22H2/t26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine


Bioorg Med Chem 25: 4778-4799 (2017)


Article DOI: 10.1016/j.bmc.2017.07.027
BindingDB Entry DOI: 10.7270/Q26M3984
More data for this
Ligand-Target Pair