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BDBM50260591 CHEMBL4084334

SMILES: C[C@@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1

InChI Key: InChIKey=SLWYXIANPITBJA-GOSISDBHSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50260591   
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))
BDBM50260591
PNG
(CHEMBL4084334)
Show SMILES C[C@@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C20H32N2/c1-18-15-21(16-19-9-4-2-5-10-19)13-8-14-22(18)17-20-11-6-3-7-12-20/h3,6-7,11-12,18-19H,2,4-5,8-10,13-17H2,1H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.380n/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))
BDBM50260591
PNG
(CHEMBL4084334)
Show SMILES C[C@@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r|
Show InChI InChI=1S/C20H32N2/c1-18-15-21(16-19-9-4-2-5-10-19)13-8-14-22(18)17-20-11-6-3-7-12-20/h3,6-7,11-12,18-19H,2,4-5,8-10,13-17H2,1H3/t18-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
7n/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