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Compile Data Set for Download or QSAR

Found 3 hits of ki 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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PC cid
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Similars

PubMed
3.60n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


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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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
41n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter


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


BindingDB Entry DOI: 10.7270/Q29W0DXF
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
99n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]-citalopram from norepinephrin transpoter


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


BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair