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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50157865'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50157865
PNG
(CHEMBL3786829)
Show SMILES CC1CCN(CCCOc2nc(nc3CCCCc23)-c2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C24H30F3N3O/c1-17-11-14-30(15-12-17)13-4-16-31-23-20-5-2-3-6-21(20)28-22(29-23)18-7-9-19(10-8-18)24(25,26)27/h7-10,17H,2-6,11-16H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 29n/an/an/an/an/an/an/an/a



Renmin Hospital of Wuhan University

Curated by ChEMBL


Assay Description
Tested for neuronal nicotinic acetylcholine receptor (nAChR) binding in a whole rat brain preparation using [3H]-cystine as the radioligand.

Bioorg Med Chem Lett 26: 2051-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.077
BindingDB Entry DOI: 10.7270/Q25Q4XZN
More data for this
Ligand-Target Pair