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SMILES: CCCN1C[C@@H]2N(Cc3ccc(OC)cc3)C[C@H]1CCC2=O

InChI Key: InChIKey=VXAKKTBGYHRHTJ-WBVHZDCISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276130   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50276130
PNG
((+)-(1S,5R)-8-(4-Methoxybenzyl)-6-propyl-6,8-diaza...)
Show SMILES CCCN1C[C@@H]2N(Cc3ccc(OC)cc3)C[C@H]1CCC2=O |r,THB:2:3:6.16:18.19.20,21:20:6.16:3.4,7:6:3.4:18.19.20|
Show InChI InChI=1S/C18H26N2O2/c1-3-10-19-13-17-18(21)9-6-15(19)12-20(17)11-14-4-7-16(22-2)8-5-14/h4-5,7-8,15,17H,3,6,9-13H2,1-2H3/t15-,17+/m1/s1
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Similars
Article
PubMed
 67n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 opioid receptor in guinea pig brain by solid scintillation counting

Bioorg Med Chem 17: 1445-55 (2009)


Article DOI: 10.1016/j.bmc.2009.01.012
BindingDB Entry DOI: 10.7270/Q23T9J53
More data for this
Ligand-Target Pair