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BDBM50048871 1-[4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-4-(3,4,5,6-tetrahydro-pyridin-2-yl)-piperazine::CHEMBL50239

SMILES: COc1cccc2C(CCCCN3CCN(CC3)C3=NCCCC3)CCCc12

InChI Key: InChIKey=ZJMAZGLYVRKYRY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50048871   
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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50048871
PNG
(1-[4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCCN3CCN(CC3)C3=NCCCC3)CCCc12 |t:19|
Show InChI InChI=1S/C24H37N3O/c1-28-23-12-7-10-21-20(9-6-11-22(21)23)8-3-5-15-26-16-18-27(19-17-26)24-13-2-4-14-25-24/h7,10,12,20H,2-6,8-9,11,13-19H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
37n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from rat hippocampal 5-hydroxytryptamine 1A receptor with 10e-6 M ketanserin


J Med Chem 39: 176-82 (1996)


Article DOI: 10.1021/jm950409c
BindingDB Entry DOI: 10.7270/Q2765G0J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50048871
PNG
(1-[4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCCN3CCN(CC3)C3=NCCCC3)CCCc12 |t:19|
Show InChI InChI=1S/C24H37N3O/c1-28-23-12-7-10-21-20(9-6-11-22(21)23)8-3-5-15-26-16-18-27(19-17-26)24-13-2-4-14-25-24/h7,10,12,20H,2-6,8-9,11,13-19H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
47n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTG binding to sigma receptor from guinea pig brain cortex membrane


J Med Chem 39: 176-82 (1996)


Article DOI: 10.1021/jm950409c
BindingDB Entry DOI: 10.7270/Q2765G0J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50048871
PNG
(1-[4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCCN3CCN(CC3)C3=NCCCC3)CCCc12 |t:19|
Show InChI InChI=1S/C24H37N3O/c1-28-23-12-7-10-21-20(9-6-11-22(21)23)8-3-5-15-26-16-18-27(19-17-26)24-13-2-4-14-25-24/h7,10,12,20H,2-6,8-9,11,13-19H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
396n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibitory activity against Sigma opioid receptor type 1 isolated from whole rat membranes using [3H](+)-pentazocine as radioligand.


J Med Chem 39: 176-82 (1996)


Article DOI: 10.1021/jm950409c
BindingDB Entry DOI: 10.7270/Q2765G0J
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
BDBM50048871
PNG
(1-[4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCCN3CCN(CC3)C3=NCCCC3)CCCc12 |t:19|
Show InChI InChI=1S/C24H37N3O/c1-28-23-12-7-10-21-20(9-6-11-22(21)23)8-3-5-15-26-16-18-27(19-17-26)24-13-2-4-14-25-24/h7,10,12,20H,2-6,8-9,11,13-19H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.33E+3n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibitory activity against sigma receptor isolated from guinea pig brain cortex membrane using PCP as radioligand at a concentration of 10e-5 M


J Med Chem 39: 176-82 (1996)


Article DOI: 10.1021/jm950409c
BindingDB Entry DOI: 10.7270/Q2765G0J
More data for this
Ligand-Target Pair