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PubMed code 15261283

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus (rat))		BDBM50409937
PNG
(CHEMBL184770)
Show SMILES Cc1cccc(N2CCN(CCc3ccc4nn[nH]c4c3)CC2)c1C
Show InChI InChI=1S/C20H25N5/c1-15-4-3-5-20(16(15)2)25-12-10-24(11-13-25)9-8-17-6-7-18-19(14-17)22-23-21-18/h3-7,14H,8-13H2,1-2H3,(H,21,22,23)
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n/an/a 260n/an/an/an/an/an/a



Institute for Biological Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against reuptake of 5-HT from rat synaptosomes

Bioorg Med Chem Lett 14: 4263-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.005
BindingDB Entry DOI: 10.7270/Q2TQ62QT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50409936
PNG
(CHEMBL182721)
Show SMILES C(Cc1ccc2NCNc2c1)N1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H26N4/c1-2-6-20-19(4-1)5-3-7-23(20)27-14-12-26(13-15-27)11-10-18-8-9-21-22(16-18)25-17-24-21/h1-9,16,24-25H,10-15,17H2
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n/an/a 1.76E+3n/an/an/an/an/an/a



Institute for Biological Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against reuptake of 5-HT from rat synaptosomes

Bioorg Med Chem Lett 14: 4263-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.005
BindingDB Entry DOI: 10.7270/Q2TQ62QT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Biological Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against reuptake of 5-HT from rat synaptosomes

Bioorg Med Chem Lett 14: 4263-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.005
BindingDB Entry DOI: 10.7270/Q2TQ62QT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50409935
PNG
(CHEMBL363124)
Show SMILES C(Cc1ccc2nn[nH]c2c1)N1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H23N5/c1-2-6-19-18(4-1)5-3-7-22(19)27-14-12-26(13-15-27)11-10-17-8-9-20-21(16-17)24-25-23-20/h1-9,16H,10-15H2,(H,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Biological Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against reuptake of 5-HT from rat synaptosomes

Bioorg Med Chem Lett 14: 4263-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.005
BindingDB Entry DOI: 10.7270/Q2TQ62QT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%