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BDBM50353622 CHEMBL1829667

SMILES: C(N1CCC2(CC1)OC=Cc1c2cnn1-c1ccccc1)c1ccccc1

InChI Key: InChIKey=XBHWEEBZMBXPNO-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50353622   
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 non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50353622
PNG
(CHEMBL1829667)
Show SMILES C(N1CCC2(CC1)OC=Cc1c2cnn1-c1ccccc1)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H23N3O/c1-3-7-19(8-4-1)18-25-14-12-23(13-15-25)21-17-24-26(22(21)11-16-27-23)20-9-5-2-6-10-20/h1-11,16-17H,12-15,18H2
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.48n/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 guinea pig brain sigma 1 receptor after 180 mins by scintillation counting


J Med Chem 54: 6704-13 (2011)


Article DOI: 10.1021/jm200585k
BindingDB Entry DOI: 10.7270/Q22R3SN0
More data for this
Ligand-Target Pair