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BDBM50258047 (+)-(1R,2S,5S)-6-Allyl-8-(2,4-dimethoxybenzyl)-2-phenoxy-6,8-diazabicyclo[3.2.2]nonane::CHEMBL521812

SMILES: COc1ccc(CN2C[C@@H]3CC[C@H](Oc4ccccc4)[C@H]2CN3CC=C)c(OC)c1

InChI Key: InChIKey=OFZJESTZGFUIDV-ZTCOLXNVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50258047   
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))		BDBM50258047
PNG
((+)-(1R,2S,5S)-6-Allyl-8-(2,4-dimethoxybenzyl)-2-p...)
Show SMILES COc1ccc(CN2C[C@@H]3CC[C@H](Oc4ccccc4)[C@H]2CN3CC=C)c(OC)c1 |r,TLB:6:7:22.21:10.11.12,13:12:22.21:8.7,THB:23:22:8.7:10.11.12|
Show InChI InChI=1S/C25H32N2O3/c1-4-14-26-18-23-24(30-21-8-6-5-7-9-21)13-11-20(26)17-27(23)16-19-10-12-22(28-2)15-25(19)29-3/h4-10,12,15,20,23-24H,1,11,13-14,16-18H2,2-3H3/t20-,23+,24-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.58E+3n/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