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BDBM50199595 7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline::CHEMBL397065

SMILES: CN1CC(c2ccccc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1

InChI Key: InChIKey=RELMLKVZHCPAMI-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 = 50199595   
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50199595
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-p...)
Show SMILES CN1CC(c2ccccc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1
Show InChI InChI=1/C24H31FN2O/c1-26-17-20-16-22(28-15-5-12-27-13-10-21(25)11-14-27)8-9-23(20)24(18-26)19-6-3-2-4-7-19/h2-4,6-9,16,21,24H,5,10-15,17-18H2,1H3
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Article
PubMed
3.30n/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50199595
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-p...)
Show SMILES CN1CC(c2ccccc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1
Show InChI InChI=1/C24H31FN2O/c1-26-17-20-16-22(28-15-5-12-27-13-10-21(25)11-14-27)8-9-23(20)24(18-26)19-6-3-2-4-7-19/h2-4,6-9,16,21,24H,5,10-15,17-18H2,1H3
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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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 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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50199595
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-4-p...)
Show SMILES CN1CC(c2ccccc2)c2ccc(OCCCN3CCC(F)CC3)cc2C1
Show InChI InChI=1/C24H31FN2O/c1-26-17-20-16-22(28-15-5-12-27-13-10-21(25)11-14-27)8-9-23(20)24(18-26)19-6-3-2-4-7-19/h2-4,6-9,16,21,24H,5,10-15,17-18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
46n/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