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BDBM50016290 CHEMBL3262787

SMILES: COc1cccc(Cn2cc(nn2)-c2cccc(c2)C(=O)NCCCCN2CCc3cc(OC)c(OC)cc3C2)c1

InChI Key: InChIKey=BZWZNZLYPPDXKU-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016290   
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))
BDBM50016290
PNG
(CHEMBL3262787)
Show SMILES COc1cccc(Cn2cc(nn2)-c2cccc(c2)C(=O)NCCCCN2CCc3cc(OC)c(OC)cc3C2)c1
Show InChI InChI=1S/C32H37N5O4/c1-39-28-11-6-8-23(16-28)20-37-22-29(34-35-37)25-9-7-10-26(17-25)32(38)33-13-4-5-14-36-15-12-24-18-30(40-2)31(41-3)19-27(24)21-36/h6-11,16-19,22H,4-5,12-15,20-21H2,1-3H3,(H,33,38)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.75E+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