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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50209807   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50209807
PNG
(3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...)
Show SMILES CN(C)CCC(Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
Show InChI InChI=1S/C25H35FN2O2/c1-27(2)19-15-25(30-24-13-9-22(26)10-14-24)21-7-11-23(12-8-21)29-20-6-18-28-16-4-3-5-17-28/h7-14,25H,3-6,15-20H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50209807
PNG
(3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...)
Show SMILES CN(C)CCC(Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
Show InChI InChI=1S/C25H35FN2O2/c1-27(2)19-15-25(30-24-13-9-22(26)10-14-24)21-7-11-23(12-8-21)29-20-6-18-28-16-4-3-5-17-28/h7-14,25H,3-6,15-20H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at rat SERT


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209807
PNG
(3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...)
Show SMILES CN(C)CCC(Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.4|
Show InChI InChI=1S/C25H35FN2O2/c1-27(2)19-15-25(30-24-13-9-22(26)10-14-24)21-7-11-23(12-8-21)29-20-6-18-28-16-4-3-5-17-28/h7-14,25H,3-6,15-20H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
46n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human SERT


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair