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BDBM50216057 CHEMBL226539::N-[6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl-butyl]-2-(2-fluoro-ethoxy)-5-methyl-benzamide

SMILES: COc1cc2CCN(CCCCNC(=O)c3cc(C)ccc3OCCF)Cc2cc1OC

InChI Key: InChIKey=QVRVXSZKCXFBTE-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50216057   
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))
BDBM50216057
PNG
(CHEMBL226539 | N-[6,7-dimethoxy-3,4-dihydro-1H-iso...)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(C)ccc3OCCF)Cc2cc1OC
Show InChI InChI=1S/C25H33FN2O4/c1-18-6-7-22(32-13-9-26)21(14-18)25(29)27-10-4-5-11-28-12-8-19-15-23(30-2)24(31-3)16-20(19)17-28/h6-7,14-16H,4-5,8-13,17H2,1-3H3,(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
330n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)pentazocine from sigma 1 receptor in guinea pig brain membrane after 90 mins


J Med Chem 50: 3194-204 (2007)


Article DOI: 10.1021/jm0614883
BindingDB Entry DOI: 10.7270/Q23T9GX4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50216057
PNG
(CHEMBL226539 | N-[6,7-dimethoxy-3,4-dihydro-1H-iso...)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(C)ccc3OCCF)Cc2cc1OC
Show InChI InChI=1S/C25H33FN2O4/c1-18-6-7-22(32-13-9-26)21(14-18)25(29)27-10-4-5-11-28-12-8-19-15-23(30-2)24(31-3)16-20(19)17-28/h6-7,14-16H,4-5,8-13,17H2,1-3H3,(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
330n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Displacement of 5-bromo-N-(4-(3,4-dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl)butyl)-2,3-dimethoxybenzamide from sigma-1 receptor in mouse EMT6 cell me...


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair