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BDBM50258231 (+)-(1S,2R,5R)-6-Allyl-2-benzyloxy-8-(4-methoxybenzyl)-6,8-diazabicyclo[3.2.2]nonane::CHEMBL495168

SMILES: COc1ccc(CN2C[C@H]3CC[C@@H](OCc4ccccc4)[C@@H]2CN3CC=C)cc1

InChI Key: InChIKey=IMNBWSFURFCFMF-PZUNEJSGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50258231   
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))		BDBM50258231
PNG
((+)-(1S,2R,5R)-6-Allyl-2-benzyloxy-8-(4-methoxyben...)
Show SMILES COc1ccc(CN2C[C@H]3CC[C@@H](OCc4ccccc4)[C@@H]2CN3CC=C)cc1 |r,TLB:13:12:23.22:8.7,6:7:23.22:10.11.12,THB:24:23:8.7:10.11.12|
Show InChI InChI=1S/C25H32N2O2/c1-3-15-26-18-24-25(29-19-21-7-5-4-6-8-21)14-11-22(26)17-27(24)16-20-9-12-23(28-2)13-10-20/h3-10,12-13,22,24-25H,1,11,14-19H2,2H3/t22-,24+,25-/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

Similars
Article
PubMed
 91n/an/an/an/an/an/an/an/a



Institut fur Pharmazeutische und Medizinische Chemie der Westfalischen Wilhelms-Universitat Munster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis

J Med Chem 52: 2126-37 (2009)


Article DOI: 10.1021/jm801522j
BindingDB Entry DOI: 10.7270/Q2ZG6S4Q
More data for this
Ligand-Target Pair