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BDBM50172912 (S)-2-(2-Piperidin-1-yl-ethyl)-1,5,10,10a-tetrahydro-2H-imidazo[1,5-b]isoquinolin-3-one::CHEMBL439859

SMILES: O=C1N(CCN2CCCCC2)C[C@@H]2Cc3ccccc3CN12

InChI Key: InChIKey=NYRUMQLDGMIGKK-KRWDZBQOSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50172912   
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


(Homo sapiens (Human))
BDBM50172912
PNG
((S)-2-(2-Piperidin-1-yl-ethyl)-1,5,10,10a-tetrahyd...)
Show SMILES O=C1N(CCN2CCCCC2)C[C@@H]2Cc3ccccc3CN12
Show InChI InChI=1S/C18H25N3O/c22-18-20(11-10-19-8-4-1-5-9-19)14-17-12-15-6-2-3-7-16(15)13-21(17)18/h2-3,6-7,17H,1,4-5,8-14H2/t17-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair