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BDBM50199608 7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-p-tolyl-1,2,3,4-tetrahydroisoquinoline::CHEMBL246749

SMILES: CN1CC(c2ccc(C)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1

InChI Key: InChIKey=RJXKZVWHSWCCMM-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 = 50199608   
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))
BDBM50199608
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-p...)
Show SMILES CN1CC(c2ccc(C)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1
Show InChI InChI=1/C25H33FN2O/c1-19-4-6-20(7-5-19)25-18-27(2)17-21-16-23(8-9-24(21)25)29-15-3-12-28-13-10-22(26)11-14-28/h4-9,16,22,25H,3,10-15,17-18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity at rat SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50199608
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-p...)
Show SMILES CN1CC(c2ccc(C)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1
Show InChI InChI=1/C25H33FN2O/c1-19-4-6-20(7-5-19)25-18-27(2)17-21-16-23(8-9-24(21)25)29-15-3-12-28-13-10-22(26)11-14-28/h4-9,16,22,25H,3,10-15,17-18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50199608
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-p...)
Show SMILES CN1CC(c2ccc(C)cc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1
Show InChI InChI=1/C25H33FN2O/c1-19-4-6-20(7-5-19)25-18-27(2)17-21-16-23(8-9-24(21)25)29-15-3-12-28-13-10-22(26)11-14-28/h4-9,16,22,25H,3,10-15,17-18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity at human SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair