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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50031702   
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))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in human JAR cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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n/an/a 3.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET transfected in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET transfected in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 9.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in human JAR cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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n/an/a 22.1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 form human DAT expressed in CHO cell membranes


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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n/an/a 27n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in human JAR cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50317592
PNG
((-)-R-1-(1-(3-chlorophenyl)-2-(4-methylpiperazin-1...)
Show SMILES CN1CCN(C[C@@H](c2cccc(Cl)c2)C2(N)CCCCC2)CC1 |r|
Show InChI InChI=1S/C19H30ClN3/c1-22-10-12-23(13-11-22)15-18(16-6-5-7-17(20)14-16)19(21)8-3-2-4-9-19/h5-7,14,18H,2-4,8-13,15,21H2,1H3/t18-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 form human DAT expressed in CHO cell membranes


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243500
PNG
((-)-1-[(1S)-1-(3-Chlorophenyl)-2-(4-methylpiperazi...)
Show SMILES CN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3/t18-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET transfected in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243500
PNG
((-)-1-[(1S)-1-(3-Chlorophenyl)-2-(4-methylpiperazi...)
Show SMILES CN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3/t18-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET transfected in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50317589
PNG
((+)-S-1-(1-(5-chlorothiophen-3-yl)-2-(4-methylpipe...)
Show SMILES CN1CCN(C[C@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C17H27ClN2OS/c1-19-7-9-20(10-8-19)12-15(14-11-16(18)22-13-14)17(21)5-3-2-4-6-17/h11,13,15,21H,2-10,12H2,1H3/t15-/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET transfected in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50317589
PNG
((+)-S-1-(1-(5-chlorothiophen-3-yl)-2-(4-methylpipe...)
Show SMILES CN1CCN(C[C@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C17H27ClN2OS/c1-19-7-9-20(10-8-19)12-15(14-11-16(18)22-13-14)17(21)5-3-2-4-6-17/h11,13,15,21H,2-10,12H2,1H3/t15-/m1/s1
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n/an/a 95n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET transfected in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50317595
PNG
(1-(1-(5-chlorothiophen-3-yl)-2-(piperazin-1-yl)eth...)
Show SMILES OC1(CCCCC1)C(CN1CCNCC1)c1csc(Cl)c1
Show InChI InChI=1S/C16H25ClN2OS/c17-15-10-13(12-21-15)14(11-19-8-6-18-7-9-19)16(20)4-2-1-3-5-16/h10,12,14,18,20H,1-9,11H2
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n/an/a 100n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET transfected in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243500
PNG
((-)-1-[(1S)-1-(3-Chlorophenyl)-2-(4-methylpiperazi...)
Show SMILES CN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3/t18-/m1/s1
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n/an/a 175n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 form human DAT expressed in CHO cell membranes


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50317589
PNG
((+)-S-1-(1-(5-chlorothiophen-3-yl)-2-(4-methylpipe...)
Show SMILES CN1CCN(C[C@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C17H27ClN2OS/c1-19-7-9-20(10-8-19)12-15(14-11-16(18)22-13-14)17(21)5-3-2-4-6-17/h11,13,15,21H,2-10,12H2,1H3/t15-/m1/s1
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n/an/a 212n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 form human DAT expressed in CHO cell membranes


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50317593
PNG
(1-(1-(2,5-dichlorothiophen-3-yl)-2-(piperazin-1-yl...)
Show SMILES OC1(CCCCC1)C(CN1CCNCC1)c1cc(Cl)sc1Cl
Show InChI InChI=1S/C16H24Cl2N2OS/c17-14-10-12(15(18)22-14)13(11-20-8-6-19-7-9-20)16(21)4-2-1-3-5-16/h10,13,19,21H,1-9,11H2
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n/an/a 225n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET transfected in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243500
PNG
((-)-1-[(1S)-1-(3-Chlorophenyl)-2-(4-methylpiperazi...)
Show SMILES CN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3/t18-/m1/s1
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n/an/a 247n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 form human DAT expressed in CHO cell membranes


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50317596
PNG
(1-(1-(benzo[b]thiophen-3-yl)-2-(piperazin-1-yl)eth...)
Show SMILES OC1(CCCCC1)C(CN1CCNCC1)c1csc2ccccc12
Show InChI InChI=1S/C20H28N2OS/c23-20(8-4-1-5-9-20)18(14-22-12-10-21-11-13-22)17-15-24-19-7-3-2-6-16(17)19/h2-3,6-7,15,18,21,23H,1,4-5,8-14H2
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n/an/a 255n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET transfected in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50317589
PNG
((+)-S-1-(1-(5-chlorothiophen-3-yl)-2-(4-methylpipe...)
Show SMILES CN1CCN(C[C@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C17H27ClN2OS/c1-19-7-9-20(10-8-19)12-15(14-11-16(18)22-13-14)17(21)5-3-2-4-6-17/h11,13,15,21H,2-10,12H2,1H3/t15-/m1/s1
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n/an/a 389n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 form human DAT expressed in CHO cell membranes


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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n/an/a 535n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET transfected in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50317597
PNG
(1-(1-(benzo[b]thiophen-2-yl)-2-(piperazin-1-yl)eth...)
Show SMILES OC1(CCCCC1)C(CN1CCNCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C20H28N2OS/c23-20(8-4-1-5-9-20)17(15-22-12-10-21-11-13-22)19-14-16-6-2-3-7-18(16)24-19/h2-3,6-7,14,17,21,23H,1,4-5,8-13,15H2
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n/an/a 550n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET transfected in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50317592
PNG
((-)-R-1-(1-(3-chlorophenyl)-2-(4-methylpiperazin-1...)
Show SMILES CN1CCN(C[C@@H](c2cccc(Cl)c2)C2(N)CCCCC2)CC1 |r|
Show InChI InChI=1S/C19H30ClN3/c1-22-10-12-23(13-11-22)15-18(16-6-5-7-17(20)14-16)19(21)8-3-2-4-9-19/h5-7,14,18H,2-4,8-13,15,21H2,1H3/t18-/m0/s1
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n/an/a 576n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET transfected in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50317594
PNG
(1-(1-(2-chlorothiophen-3-yl)-2-(piperazin-1-yl)eth...)
Show SMILES OC1(CCCCC1)C(CN1CCNCC1)c1ccsc1Cl
Show InChI InChI=1S/C16H25ClN2OS/c17-15-13(4-11-21-15)14(12-19-9-7-18-8-10-19)16(20)5-2-1-3-6-16/h4,11,14,18,20H,1-3,5-10,12H2
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n/an/a 720n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET transfected in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 form human DAT expressed in CHO cell membranes


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243500
PNG
((-)-1-[(1S)-1-(3-Chlorophenyl)-2-(4-methylpiperazi...)
Show SMILES CN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3/t18-/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in human JAR cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50317590
PNG
((-)-R-1-(1-(5-chlorothiophen-3-yl)-2-(4-methylpipe...)
Show SMILES CN1CCN(C[C@@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C17H27ClN2OS/c1-19-7-9-20(10-8-19)12-15(14-11-16(18)22-13-14)17(21)5-3-2-4-6-17/h11,13,15,21H,2-10,12H2,1H3/t15-/m0/s1
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n/an/a>6.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 form human DAT expressed in CHO cell membranes


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 form human DAT expressed in CHO cell membranes


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50317590
PNG
((-)-R-1-(1-(5-chlorothiophen-3-yl)-2-(4-methylpipe...)
Show SMILES CN1CCN(C[C@@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C17H27ClN2OS/c1-19-7-9-20(10-8-19)12-15(14-11-16(18)22-13-14)17(21)5-3-2-4-6-17/h11,13,15,21H,2-10,12H2,1H3/t15-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET transfected in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 2809-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.059
BindingDB Entry DOI: 10.7270/Q2028RQV
More data for this
Ligand-Target Pair