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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 = 'BDBM50002321'   
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


(RAT)		BDBM50002321
PNG
(3-(4-Fluoro-phenyl)-6-[4-(5-fluoro-pyrimidin-2-yl)...)
Show SMILES CCC(O)(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C20H26F2N4O/c1-2-20(27,16-4-6-17(21)7-5-16)8-3-9-25-10-12-26(13-11-25)19-23-14-18(22)15-24-19/h4-7,14-15,27H,2-3,8-13H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 370n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]-3-PPP from rat cortical sigma site

J Med Chem 35: 4516-25 (1993)


BindingDB Entry DOI: 10.7270/Q2H70GDV
More data for this
Ligand-Target Pair