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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50132679   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132679
PNG
(CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
In vitro ability of compound to inhibit 5-HT re-uptake of radiolabelled [3H]-tritium trasmitter into synaptosome


Bioorg Med Chem Lett 13: 3277-80 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132679
PNG
(CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1
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Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL


Assay Description
Inhibition of SERT (unknown origin) assessed as reduction of [3H]5-HT re-uptake


J Med Chem 61: 2133-2165 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01827
BindingDB Entry DOI: 10.7270/Q2BV7K8M
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50132679
PNG
(CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1
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PubMed
n/an/a 28n/an/an/an/an/an/a



Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL


Assay Description
Inhibition of NET (unknown origin) assessed as reduction of [3H]-NE re-uptake


J Med Chem 61: 2133-2165 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01827
BindingDB Entry DOI: 10.7270/Q2BV7K8M
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50132679
PNG
(CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-NE re-uptake into synaptosome


Bioorg Med Chem Lett 13: 3277-80 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50132679
PNG
(CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1
NCI pathway
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n/an/a 86n/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nisoxetine from norepinephrin transpoter


Bioorg Med Chem Lett 13: 3277-80 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50132679
PNG
(CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1
NCI pathway
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Article
PubMed
n/an/a 96n/an/an/an/an/an/a



Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL


Assay Description
Inhibition of DAT (unknown origin) assessed as reduction of [3H]-DA re-uptake


J Med Chem 61: 2133-2165 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01827
BindingDB Entry DOI: 10.7270/Q2BV7K8M
More data for this
Ligand-Target Pair