BindingDB logo
myBDB logout

BDBM50346377 4-[2-[4-(naphthalen)piperazin-1-yl]ethoxy]-4-aza-tricyclo [5.2.1.02,6]dec-8-ene-3,5-dione::CHEMBL1783350

SMILES: O=C1C2C3CC(C=C3)C2C(=O)N1OCCN1CCN(CC1)c1cccc2ccccc12

InChI Key: InChIKey=XVVQTXOUNBDUSY-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 = 50346377   
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))
BDBM50346377
PNG
(4-[2-[4-(naphthalen)piperazin-1-yl]ethoxy]-4-aza-t...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCN1CCN(CC1)c1cccc2ccccc12 |c:6|
Show InChI InChI=1S/C25H27N3O3/c29-24-22-18-8-9-19(16-18)23(22)25(30)28(24)31-15-14-26-10-12-27(13-11-26)21-7-3-5-17-4-1-2-6-20(17)21/h1-9,18-19,22-23H,10-16H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.58n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex homogenates after 30 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50346377
PNG
(4-[2-[4-(naphthalen)piperazin-1-yl]ethoxy]-4-aza-t...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCN1CCN(CC1)c1cccc2ccccc12 |c:6|
Show InChI InChI=1S/C25H27N3O3/c29-24-22-18-8-9-19(16-18)23(22)25(30)28(24)31-15-14-26-10-12-27(13-11-26)21-7-3-5-17-4-1-2-6-20(17)21/h1-9,18-19,22-23H,10-16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
113n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5HT2A receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50346377
PNG
(4-[2-[4-(naphthalen)piperazin-1-yl]ethoxy]-4-aza-t...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCN1CCN(CC1)c1cccc2ccccc12 |c:6|
Show InChI InChI=1S/C25H27N3O3/c29-24-22-18-8-9-19(16-18)23(22)25(30)28(24)31-15-14-26-10-12-27(13-11-26)21-7-3-5-17-4-1-2-6-20(17)21/h1-9,18-19,22-23H,10-16H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from dopamine D1 receptor in rat corpora striatum homogenates after 15 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50346377
PNG
(4-[2-[4-(naphthalen)piperazin-1-yl]ethoxy]-4-aza-t...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCN1CCN(CC1)c1cccc2ccccc12 |c:6|
Show InChI InChI=1S/C25H27N3O3/c29-24-22-18-8-9-19(16-18)23(22)25(30)28(24)31-15-14-26-10-12-27(13-11-26)21-7-3-5-17-4-1-2-6-20(17)21/h1-9,18-19,22-23H,10-16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpora striatum homogenates after 15 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair