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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50172772   
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 noradrenaline transporter


(Homo sapiens (Human))
BDBM50172772
PNG
(3-(3-Methylamino-propyl)-3-propyl-1-p-tolyl-3,4-di...)
Show SMILES CCCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H30N2O/c1-4-14-23(15-7-16-24-3)17-19-8-5-6-9-21(19)25(22(23)26)20-12-10-18(2)11-13-20/h5-6,8-13,24H,4,7,14-17H2,1-3H3
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PC sid
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Article
PubMed
11n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at norepinephrine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50172772
PNG
(3-(3-Methylamino-propyl)-3-propyl-1-p-tolyl-3,4-di...)
Show SMILES CCCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H30N2O/c1-4-14-23(15-7-16-24-3)17-19-8-5-6-9-21(19)25(22(23)26)20-12-10-18(2)11-13-20/h5-6,8-13,24H,4,7,14-17H2,1-3H3
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Article
PubMed
160n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibitio of monoamine reuptake at serotonin transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50172772
PNG
(3-(3-Methylamino-propyl)-3-propyl-1-p-tolyl-3,4-di...)
Show SMILES CCCC1(CCCNC)Cc2ccccc2N(C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H30N2O/c1-4-14-23(15-7-16-24-3)17-19-8-5-6-9-21(19)25(22(23)26)20-12-10-18(2)11-13-20/h5-6,8-13,24H,4,7,14-17H2,1-3H3
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Article
PubMed
>200n/an/an/an/an/an/an/an/a



Eli Lilly and Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of monoamine reuptake at dopamine transporter


Bioorg Med Chem Lett 15: 4432-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.038
BindingDB Entry DOI: 10.7270/Q2G44PTW
More data for this
Ligand-Target Pair