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BDBM50107235 CHEMBL138109::[3-(5-Methoxy-naphthalen-1-yl)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine

SMILES: COc1cccc2c(CCCNCCOc3ccccn3)cccc12

InChI Key: InChIKey=DFNUNBHMMOZMON-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50107235   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50107235
PNG
(CHEMBL138109 | [3-(5-Methoxy-naphthalen-1-yl)-prop...)
Show SMILES COc1cccc2c(CCCNCCOc3ccccn3)cccc12
Show InChI InChI=1S/C21H24N2O2/c1-24-20-11-5-9-18-17(7-4-10-19(18)20)8-6-13-22-15-16-25-21-12-2-3-14-23-21/h2-5,7,9-12,14,22H,6,8,13,15-16H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.190n/an/an/an/an/an/an/an/a



Università Bari

Curated by ChEMBL


Assay Description
Binding was determined on 5-hydroxytryptamine 1A receptor in rat hippocampal membranes


J Med Chem 44: 4431-42 (2001)


Article DOI: 10.1021/jm010866v
BindingDB Entry DOI: 10.7270/Q2NC60GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50107235
PNG
(CHEMBL138109 | [3-(5-Methoxy-naphthalen-1-yl)-prop...)
Show SMILES COc1cccc2c(CCCNCCOc3ccccn3)cccc12
Show InChI InChI=1S/C21H24N2O2/c1-24-20-11-5-9-18-17(7-4-10-19(18)20)8-6-13-22-15-16-25-21-12-2-3-14-23-21/h2-5,7,9-12,14,22H,6,8,13,15-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.860n/an/an/an/an/an/an/an/a



Università Bari

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined on human cloned 5-hydroxytryptamine 1A receptor transfected in human cell lines(He La)


J Med Chem 44: 4431-42 (2001)


Article DOI: 10.1021/jm010866v
BindingDB Entry DOI: 10.7270/Q2NC60GV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50107235
PNG
(CHEMBL138109 | [3-(5-Methoxy-naphthalen-1-yl)-prop...)
Show SMILES COc1cccc2c(CCCNCCOc3ccccn3)cccc12
Show InChI InChI=1S/C21H24N2O2/c1-24-20-11-5-9-18-17(7-4-10-19(18)20)8-6-13-22-15-16-25-21-12-2-3-14-23-21/h2-5,7,9-12,14,22H,6,8,13,15-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14.6n/an/an/an/an/an/an/an/a



Università Bari

Curated by ChEMBL


Assay Description
Binding affinity was determined on human cloned alpha1a adrenoceptor


J Med Chem 44: 4431-42 (2001)


Article DOI: 10.1021/jm010866v
BindingDB Entry DOI: 10.7270/Q2NC60GV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50107235
PNG
(CHEMBL138109 | [3-(5-Methoxy-naphthalen-1-yl)-prop...)
Show SMILES COc1cccc2c(CCCNCCOc3ccccn3)cccc12
Show InChI InChI=1S/C21H24N2O2/c1-24-20-11-5-9-18-17(7-4-10-19(18)20)8-6-13-22-15-16-25-21-12-2-3-14-23-21/h2-5,7,9-12,14,22H,6,8,13,15-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
83.2n/an/an/an/an/an/an/an/a



Università Bari

Curated by ChEMBL


Assay Description
Binding affinity of the compound towarda alpha-1D adrenergic receptor


J Med Chem 44: 4431-42 (2001)


Article DOI: 10.1021/jm010866v
BindingDB Entry DOI: 10.7270/Q2NC60GV
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50107235
PNG
(CHEMBL138109 | [3-(5-Methoxy-naphthalen-1-yl)-prop...)
Show SMILES COc1cccc2c(CCCNCCOc3ccccn3)cccc12
Show InChI InChI=1S/C21H24N2O2/c1-24-20-11-5-9-18-17(7-4-10-19(18)20)8-6-13-22-15-16-25-21-12-2-3-14-23-21/h2-5,7,9-12,14,22H,6,8,13,15-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
270n/an/an/an/an/an/an/an/a



Università Bari

Curated by ChEMBL


Assay Description
Binding affinity was determined on human cloned alpha-1B adrenergic receptor


J Med Chem 44: 4431-42 (2001)


Article DOI: 10.1021/jm010866v
BindingDB Entry DOI: 10.7270/Q2NC60GV
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50107235
PNG
(CHEMBL138109 | [3-(5-Methoxy-naphthalen-1-yl)-prop...)
Show SMILES COc1cccc2c(CCCNCCOc3ccccn3)cccc12
Show InChI InChI=1S/C21H24N2O2/c1-24-20-11-5-9-18-17(7-4-10-19(18)20)8-6-13-22-15-16-25-21-12-2-3-14-23-21/h2-5,7,9-12,14,22H,6,8,13,15-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
378n/an/an/an/an/an/an/an/a



Università Bari

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 in rat striatal membranes


J Med Chem 44: 4431-42 (2001)


Article DOI: 10.1021/jm010866v
BindingDB Entry DOI: 10.7270/Q2NC60GV
More data for this
Ligand-Target Pair