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BDBM50198609 7-(3-(azetidin-1-yl)propoxy)-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline::CHEMBL234526

SMILES: COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC3)ccc12

InChI Key: InChIKey=ZOQAPWIJYCXCQM-UHFFFAOYNA-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 = 50198609   
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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198609
PNG
(7-(3-(azetidin-1-yl)propoxy)-4-(4-methoxyphenyl)-2...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC3)ccc12
Show InChI InChI=1/C23H30N2O2/c1-24-16-19-15-21(27-14-4-13-25-11-3-12-25)9-10-22(19)23(17-24)18-5-7-20(26-2)8-6-18/h5-10,15,23H,3-4,11-14,16-17H2,1-2H3
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PC sid
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Article
PubMed
1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198609
PNG
(7-(3-(azetidin-1-yl)propoxy)-4-(4-methoxyphenyl)-2...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC3)ccc12
Show InChI InChI=1/C23H30N2O2/c1-24-16-19-15-21(27-14-4-13-25-11-3-12-25)9-10-22(19)23(17-24)18-5-7-20(26-2)8-6-18/h5-10,15,23H,3-4,11-14,16-17H2,1-2H3
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198609
PNG
(7-(3-(azetidin-1-yl)propoxy)-4-(4-methoxyphenyl)-2...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC3)ccc12
Show InChI InChI=1/C23H30N2O2/c1-24-16-19-15-21(27-14-4-13-25-11-3-12-25)9-10-22(19)23(17-24)18-5-7-20(26-2)8-6-18/h5-10,15,23H,3-4,11-14,16-17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair