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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 50148373   
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))
BDBM50148373
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1
Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1
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PubMed
120n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50148373
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1
Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1
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PC cid
PC sid
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Article
PubMed
120n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50148373
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1
Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1
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PubMed
695n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50148373
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1
Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1
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Article
PubMed
695n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-paroxetine binding to cloned human serotonin (5-HT) transporter


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50148373
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1
Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1
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Article
PubMed
7.27E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-mazindol binding to cloned human dopamine (DA) transporter


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50148373
PNG
(5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naph...)
Show SMILES CNCC[C@H](Oc1cccc2c(O)c(O)ccc12)c1cccs1
Show InChI InChI=1S/C18H19NO3S/c1-19-10-9-16(17-6-3-11-23-17)22-15-5-2-4-13-12(15)7-8-14(20)18(13)21/h2-8,11,16,19-21H,9-10H2,1H3/t16-/m0/s1
NCI pathway
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporter


Bioorg Med Chem Lett 14: 3481-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.066
BindingDB Entry DOI: 10.7270/Q24Q7TFH
More data for this
Ligand-Target Pair