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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 = 'BDBM50264746'   
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))		BDBM50264746
PNG
((S)-1-(4-(3-(bis(4-fluorophenyl)amino)propyl)piper...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCN(C[C@H](Cc2ccccc2)OC(=O)Cc2ccccc2)CC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C36H39F2N3O2/c37-31-12-16-33(17-13-31)41(34-18-14-32(38)15-19-34)21-7-20-39-22-24-40(25-23-39)28-35(26-29-8-3-1-4-9-29)43-36(42)27-30-10-5-2-6-11-30/h1-6,8-19,35H,7,20-28H2/t35-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 87.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 5238-41 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.065
BindingDB Entry DOI: 10.7270/Q2DB82SZ
More data for this
Ligand-Target Pair