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BDBM50016273 CHEMBL3262524

SMILES: COc1cc2CCN(CCCCNC(=O)c3cn(Cc4ccccc4)nn3)Cc2cc1OC

InChI Key: InChIKey=YYYKHLUDGDSGLB-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016273   
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))
BDBM50016273
PNG
(CHEMBL3262524)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3cn(Cc4ccccc4)nn3)Cc2cc1OC
Show InChI InChI=1S/C25H31N5O3/c1-32-23-14-20-10-13-29(17-21(20)15-24(23)33-2)12-7-6-11-26-25(31)22-18-30(28-27-22)16-19-8-4-3-5-9-19/h3-5,8-9,14-15,18H,6-7,10-13,16-17H2,1-2H3,(H,26,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.48E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...


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