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PubMed code 25703296

Compile data set for download or QSAR
Found 1 hit of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))		BDBM50078575
PNG
(CHEMBL3414957)
Show SMILES O=C(CN1CCCCC1)N1CCN(CC1)C1(C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:12:15:17:19.20.21,THB:22:20:17:23.24.15,22:23:17:19.20.21,15:16:19:22.23.24,15:23:19:17.21.16,(5.49,-4.45,;5.55,-3.22,;6.91,-2.51,;8.21,-3.33,;9.58,-2.63,;10.88,-3.46,;10.81,-4.99,;9.44,-5.7,;8.14,-4.87,;4.25,-2.39,;2.88,-3.1,;1.58,-2.27,;1.65,-.73,;3.02,-.02,;4.32,-.85,;.34,.1,;.34,-1.34,;-.86,-2.29,;-1.93,-1.46,;-3.75,-1.45,;-2.25,-.81,;-1.08,-1.65,;-2.32,.71,;-.84,1.05,;-2.1,.21,;.46,1.65,;1.84,2.32,;1.96,3.86,;.68,4.73,;-.7,4.06,;-.82,2.52,)|
Show InChI InChI=1S/C27H39N3O/c31-26(20-28-9-5-2-6-10-28)29-11-13-30(14-12-29)27(23-7-3-1-4-8-23)24-16-21-15-22(18-24)19-25(27)17-21/h1,3-4,7-8,21-22,24-25H,2,5-6,9-20H2
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 135n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human Jurkat cell membrane by liquid scintillation spectrometry

Eur J Med Chem 93: 281-90 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.021
BindingDB Entry DOI: 10.7270/Q27D2WT6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%