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BDBM50260571 CHEMBL4090350

SMILES: CCCCN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1

InChI Key: InChIKey=ZTOFFSNTXCFYOR-QHCPKHFHSA-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 = 50260571   
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))
BDBM50260571
PNG
(CHEMBL4090350)
Show SMILES CCCCN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C23H32N2/c1-2-3-15-24-16-10-17-25(19-22-13-8-5-9-14-22)23(20-24)18-21-11-6-4-7-12-21/h4-9,11-14,23H,2-3,10,15-20H2,1H3/t23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.70n/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))
BDBM50260571
PNG
(CHEMBL4090350)
Show SMILES CCCCN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
Show InChI InChI=1S/C23H32N2/c1-2-3-15-24-16-10-17-25(19-22-13-8-5-9-14-22)23(20-24)18-21-11-6-4-7-12-21/h4-9,11-14,23H,2-3,10,15-20H2,1H3/t23-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
238n/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