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BDBM50283329 1-Benzyl-4-(3-phenyl-prop-2-ynyloxymethyl)-piperidine::CHEMBL308185

SMILES: C(OCC1CCN(Cc2ccccc2)CC1)C#Cc1ccccc1

InChI Key: InChIKey=NBNYXJWRMQPRPT-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50283329   
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))
BDBM50283329
PNG
(1-Benzyl-4-(3-phenyl-prop-2-ynyloxymethyl)-piperid...)
Show SMILES C(OCC1CCN(Cc2ccccc2)CC1)C#Cc1ccccc1
Show InChI InChI=1S/C22H25NO/c1-3-8-20(9-4-1)12-7-17-24-19-22-13-15-23(16-14-22)18-21-10-5-2-6-11-21/h1-6,8-11,22H,13-19H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor using [3H]-(+)-SKF-10,047 as radioligand


Bioorg Med Chem Lett 4: 2347-2352 (1994)


Article DOI: 10.1016/0960-894X(94)85038-0
BindingDB Entry DOI: 10.7270/Q2S75G8F
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM50283329
PNG
(1-Benzyl-4-(3-phenyl-prop-2-ynyloxymethyl)-piperid...)
Show SMILES C(OCC1CCN(Cc2ccccc2)CC1)C#Cc1ccccc1
Show InChI InChI=1S/C22H25NO/c1-3-8-20(9-4-1)12-7-17-24-19-22-13-15-23(16-14-22)18-21-10-5-2-6-11-21/h1-6,8-11,22H,13-19H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
254n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2 receptor using [3H]ketanserin as radioligand


Bioorg Med Chem Lett 4: 2347-2352 (1994)


Article DOI: 10.1016/0960-894X(94)85038-0
BindingDB Entry DOI: 10.7270/Q2S75G8F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50283329
PNG
(1-Benzyl-4-(3-phenyl-prop-2-ynyloxymethyl)-piperid...)
Show SMILES C(OCC1CCN(Cc2ccccc2)CC1)C#Cc1ccccc1
Show InChI InChI=1S/C22H25NO/c1-3-8-20(9-4-1)12-7-17-24-19-22-13-15-23(16-14-22)18-21-10-5-2-6-11-21/h1-6,8-11,22H,13-19H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 using [3H]-spiperone as radioligand


Bioorg Med Chem Lett 4: 2347-2352 (1994)


Article DOI: 10.1016/0960-894X(94)85038-0
BindingDB Entry DOI: 10.7270/Q2S75G8F
More data for this
Ligand-Target Pair