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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma intracellular receptor 2' and Ligand = 'BDBM50344429'   
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 intracellular receptor 2


(Rattus norvegicus (Rat))		BDBM50344429
PNG
(CHEMBL1779993 | trans-N-Benzyl-3-methoxy-3,4-dihyd...)
Show SMILES COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)NCc2ccccc2)O1 |r,wU:10.26,wD:13.17,(24.78,6.63,;23.43,5.86,;23.43,4.32,;24.77,3.54,;24.76,2,;26.08,1.24,;26.08,-.29,;24.75,-1.06,;23.42,-.29,;23.43,1.24,;22.09,2,;21.33,.65,;19.6,1.28,;18.41,.86,;19.18,2.21,;20.82,1.59,;18.41,-.69,;19.75,-1.47,;19.74,-3.01,;18.4,-3.77,;18.39,-5.31,;19.72,-6.09,;21.06,-5.32,;21.07,-3.78,;22.09,3.54,)|
Show InChI InChI=1S/C22H27NO2/c1-24-21-15-18-9-5-6-10-20(18)22(25-21)13-11-19(12-14-22)23-16-17-7-3-2-4-8-17/h2-10,19,21,23H,11-16H2,1H3/t19-,21?,22-
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.00E+3n/an/an/an/an/an/an/an/a



Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand...

J Med Chem 62: 4204-4217 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00449
BindingDB Entry DOI: 10.7270/Q2KS6VZ0
More data for this
Ligand-Target Pair