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BDBM50145014 1-Cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-piperazine::CHEMBL75878

SMILES: COc1cccc2C(CN3CCN(CC3)C3CCCCC3)CCCc12

InChI Key: InChIKey=YHVGSPGZCCLSHP-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 = 50145014   
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))
BDBM50145014
PNG
(1-Cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydro-napht...)
Show SMILES COc1cccc2C(CN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C22H34N2O/c1-25-22-12-6-10-20-18(7-5-11-21(20)22)17-23-13-15-24(16-14-23)19-8-3-2-4-9-19/h6,10,12,18-19H,2-5,7-9,11,13-17H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.310n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding afinity at opioid sigma-1 receptorin guinea pig brain membranes by (+)-[3H]-pentazocine displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50145014
PNG
(1-Cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydro-napht...)
Show SMILES COc1cccc2C(CN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C22H34N2O/c1-25-22-12-6-10-20-18(7-5-11-21(20)22)17-23-13-15-24(16-14-23)19-8-3-2-4-9-19/h6,10,12,18-19H,2-5,7-9,11,13-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>700n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at serotonin 5-hydroxytryptamine 3 receptor in rat cortex by [3H]-granisetron displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50145014
PNG
(1-Cyclohexyl-4-(5-methoxy-1,2,3,4-tetrahydro-napht...)
Show SMILES COc1cccc2C(CN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C22H34N2O/c1-25-22-12-6-10-20-18(7-5-11-21(20)22)17-23-13-15-24(16-14-23)19-8-3-2-4-9-19/h6,10,12,18-19H,2-5,7-9,11,13-17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.26E+3n/an/an/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity at Dopamine receptor D2 in rat striatum by [3H]-spiroperidol displacement.


J Med Chem 47: 2308-17 (2004)


Article DOI: 10.1021/jm031026e
BindingDB Entry DOI: 10.7270/Q2DN44HS
More data for this
Ligand-Target Pair