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BDBM50002225 1-Benzyl-4-[2-(4-tert-butyl-benzyloxy)-ethyl]-piperidine; hydrochloride::CHEMBL539553

SMILES: CC(C)(C)c1ccc(COCCC2CCN(Cc3ccccc3)CC2)cc1

InChI Key: InChIKey=ZSDRHKRYDSPJQZ-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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

Found 3 hits for monomerid = 50002225   
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


(Mus musculus (Mouse))
BDBM50002225
PNG
(1-Benzyl-4-[2-(4-tert-butyl-benzyloxy)-ethyl]-pipe...)
Show SMILES CC(C)(C)c1ccc(COCCC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C25H35NO/c1-25(2,3)24-11-9-23(10-12-24)20-27-18-15-21-13-16-26(17-14-21)19-22-7-5-4-6-8-22/h4-12,21H,13-20H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.5n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50002225
PNG
(1-Benzyl-4-[2-(4-tert-butyl-benzyloxy)-ethyl]-pipe...)
Show SMILES CC(C)(C)c1ccc(COCCC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C25H35NO/c1-25(2,3)24-11-9-23(10-12-24)20-27-18-15-21-13-16-26(17-14-21)19-22-7-5-4-6-8-22/h4-12,21H,13-20H2,1-3H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
939n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin 5-hydroxytryptamine (5-HT) 2 receptors


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Mus musculus (Mouse))
BDBM50002225
PNG
(1-Benzyl-4-[2-(4-tert-butyl-benzyloxy)-ethyl]-pipe...)
Show SMILES CC(C)(C)c1ccc(COCCC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C25H35NO/c1-25(2,3)24-11-9-23(10-12-24)20-27-18-15-21-13-16-26(17-14-21)19-22-7-5-4-6-8-22/h4-12,21H,13-20H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.75E+3n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair