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BDBM50012203 CHEMBL3259961

SMILES: Nc1ccc2C(=O)N(CCCCCCOc3cccc4C(CCCN5CCN(CC5)C5CCCCC5)CCCc34)C(=O)c3cccc1c23

InChI Key: InChIKey=FXSQHPHHAIFUIN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50012203   
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))		BDBM50012203
PNG
(CHEMBL3259961)
Show SMILES Nc1ccc2C(=O)N(CCCCCCOc3cccc4C(CCCN5CCN(CC5)C5CCCCC5)CCCc34)C(=O)c3cccc1c23
Show InChI InChI=1S/C41H54N4O3/c42-37-22-21-36-39-34(37)18-9-19-35(39)40(46)45(41(36)47)24-6-1-2-7-29-48-38-20-10-16-32-30(12-8-17-33(32)38)13-11-23-43-25-27-44(28-26-43)31-14-4-3-5-15-31/h9-10,16,18-22,30-31H,1-8,11-15,17,23-29,42H2
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PC cid
PC sid
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Similars
Article
PubMed
 156n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from Dunkin guinea pig brain sigma 1 receptor

J Med Chem 57: 3314-23 (2014)


Article DOI: 10.1021/jm401874n
BindingDB Entry DOI: 10.7270/Q2DB83DF
More data for this
Ligand-Target Pair