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Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'plössl' and Initial = 'k'   
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))
BDBM50154364
PNG
((6R,10bS)-6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10...)
Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m1/s1
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0.00900n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter expresed in LCK PK1 cells


J Med Chem 47: 5258-64 (2004)


Article DOI: 10.1021/jm049917p
BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50110577
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1N
Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3
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0.0100n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter expresed in LCK PK1 cells


J Med Chem 47: 5258-64 (2004)


Article DOI: 10.1021/jm049917p
BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50073436
PNG
((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1CO
Show InChI InChI=1S/C16H18INOS/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3
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0.0900n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter expresed in LCK PK1 cells


J Med Chem 47: 5258-64 (2004)


Article DOI: 10.1021/jm049917p
BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50101410
PNG
((trans,trans)-1-bromo-2,5-bis-(3-hydroxycarbonyl-4...)
Show SMILES OC(=O)c1cc(\C=C\c2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
Show InChI InChI=1S/C24H17BrO6/c25-20-13-16(2-1-14-5-9-21(26)18(11-14)23(28)29)4-8-17(20)7-3-15-6-10-22(27)19(12-15)24(30)31/h1-13,26-27H,(H,28,29)(H,30,31)/b2-1+,7-3+
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0.110n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50154366
PNG
(CHEMBL183470 | [2-(2-Dimethylaminomethyl-phenoxy)-...)
Show SMILES CN(C)Cc1ccccc1Oc1ccc(I)cc1CO
Show InChI InChI=1S/C16H18INO2/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3
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0.120n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter expresed in LCK PK1 cells


J Med Chem 47: 5258-64 (2004)


Article DOI: 10.1021/jm049917p
BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50101411
PNG
(5-[2-bromo-4-(3-carboxy-4-hydroxyphenethyl)pheneth...)
Show SMILES OC(=O)c1cc(\C=C/c2ccc(\C=C/c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
Show InChI InChI=1S/C24H17BrO6/c25-20-13-16(2-1-14-5-9-21(26)18(11-14)23(28)29)4-8-17(20)7-3-15-6-10-22(27)19(12-15)24(30)31/h1-13,26-27H,(H,28,29)(H,30,31)/b2-1-,7-3-
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0.130n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100131
PNG
(5-(Biphenyl-4-ylazo)-bis (2-hydroxy-benzoic acid)(...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O |w:25.28,11.12|
Show InChI InChI=1S/C26H18N4O6/c31-23-11-9-19(13-21(23)25(33)34)29-27-17-5-1-15(2-6-17)16-3-7-18(8-4-16)28-30-20-10-12-24(32)22(14-20)26(35)36/h1-14,31-32H,(H,33,34)(H,35,36)
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0.140n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100131
PNG
(5-(Biphenyl-4-ylazo)-bis (2-hydroxy-benzoic acid)(...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O |w:25.28,11.12|
Show InChI InChI=1S/C26H18N4O6/c31-23-11-9-19(13-21(23)25(33)34)29-27-17-5-1-15(2-6-17)16-3-7-18(8-4-16)28-30-20-10-12-24(32)22(14-20)26(35)36/h1-14,31-32H,(H,33,34)(H,35,36)
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0.140n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for aggregates of amyloid beta compared to [125I]-IMSB


J Med Chem 44: 1905-14 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100135
PNG
((E,E)-1-iodo-2,5-bis-(3-hydroxycarbonyl-4-methoxy)...)
Show SMILES COc1ccc(\C=C\c2ccc(\C=C\c3ccc(OC)c(c3)C(O)=O)c(I)c2)cc1C(O)=O
Show InChI InChI=1S/C26H21IO6/c1-32-23-11-7-16(13-20(23)25(28)29)3-4-18-6-10-19(22(27)15-18)9-5-17-8-12-24(33-2)21(14-17)26(30)31/h3-15H,1-2H3,(H,28,29)(H,30,31)/b4-3+,9-5+
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0.170n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for aggregates of amyloid beta compared to [125I]-IMSB


J Med Chem 44: 1905-14 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50101413
PNG
(5-[2-bromo-4-(3-carboxy-4-hydroxyphenethyl)pheneth...)
Show SMILES OC(=O)c1cc(\C=C\c2ccc(\C=C/c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
Show InChI InChI=1S/C24H17BrO6/c25-20-13-16(2-1-14-5-9-21(26)18(11-14)23(28)29)4-8-17(20)7-3-15-6-10-22(27)19(12-15)24(30)31/h1-13,26-27H,(H,28,29)(H,30,31)/b2-1+,7-3-
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0.190n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50101412
PNG
(5-[2-bromo-4-(3-carboxy-4-hydroxyphenethyl)pheneth...)
Show SMILES OC(=O)c1cc(\C=C/c2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
Show InChI InChI=1S/C24H17BrO6/c25-20-13-16(2-1-14-5-9-21(26)18(11-14)23(28)29)4-8-17(20)7-3-15-6-10-22(27)19(12-15)24(30)31/h1-13,26-27H,(H,28,29)(H,30,31)/b2-1-,7-3+
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0.270n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain


J Med Chem 44: 2270-5 (2001)


BindingDB Entry DOI: 10.7270/Q22J6B4Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50154365
PNG
(2-(2-((dimethylamino)methyl)phenoxy)-5-iodoaniline...)
Show SMILES CN(C)Cc1ccccc1Oc1ccc(I)cc1N
Show InChI InChI=1S/C15H17IN2O/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3
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0.370n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter expresed in LCK PK1 cells


J Med Chem 47: 5258-64 (2004)


Article DOI: 10.1021/jm049917p
BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100131
PNG
(5-(Biphenyl-4-ylazo)-bis (2-hydroxy-benzoic acid)(...)
Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O |w:25.28,11.12|
Show InChI InChI=1S/C26H18N4O6/c31-23-11-9-19(13-21(23)25(33)34)29-27-17-5-1-15(2-6-17)16-3-7-18(8-4-16)28-30-20-10-12-24(32)22(14-20)26(35)36/h1-14,31-32H,(H,33,34)(H,35,36)
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0.400n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant of compound on ligand binding to aggregates of Amyloid beta was measured by comparing with [125I]-IMSB


J Med Chem 44: 1905-14 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100133
PNG
(CHEMBL55401 | [4-(6-Bromo-benzothiazol-2-yl)-pheny...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C15H13BrN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3
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0.800n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for amyloid beta compared to [125I]-TZDM


J Med Chem 44: 1905-14 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100135
PNG
((E,E)-1-iodo-2,5-bis-(3-hydroxycarbonyl-4-methoxy)...)
Show SMILES COc1ccc(\C=C\c2ccc(\C=C\c3ccc(OC)c(c3)C(O)=O)c(I)c2)cc1C(O)=O
Show InChI InChI=1S/C26H21IO6/c1-32-23-11-7-16(13-20(23)25(28)29)3-4-18-6-10-19(22(27)15-18)9-5-17-8-12-24(33-2)21(14-17)26(30)31/h3-15H,1-2H3,(H,28,29)(H,30,31)/b4-3+,9-5+
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0.800n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for aggregates of amyloid beta compared to [125I]-IMSB


J Med Chem 44: 1905-14 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100130
PNG
(4-(6-Iodobenzo[d]thiazol-2-yl)-N,N-dimethylaniline...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(I)cc2s1
Show InChI InChI=1S/C15H13IN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3
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0.900n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for amyloid beta compared to [125I]-TZDM


J Med Chem 44: 1905-14 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100130
PNG
(4-(6-Iodobenzo[d]thiazol-2-yl)-N,N-dimethylaniline...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(I)cc2s1
Show InChI InChI=1S/C15H13IN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3
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0.900n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates


J Med Chem 46: 237-43 (2003)


Article DOI: 10.1021/jm020351j
BindingDB Entry DOI: 10.7270/Q2WH2PBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50091097
PNG
(3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-b...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(cc1N)C#N
Show InChI InChI=1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter expresed in LCK PK1 cells


J Med Chem 47: 5258-64 (2004)


Article DOI: 10.1021/jm049917p
BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM22417
PNG
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)
Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1
Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for Norepinephrine transporter (NET) expressed in LCK PK1 cells


J Med Chem 47: 5258-64 (2004)


Article DOI: 10.1021/jm049917p
BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100132
PNG
(6-Bromo-2-[4-(4-methyl-piperazin-1-yl)-phenyl]-ben...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C18H18BrN3S/c1-21-8-10-22(11-9-21)15-5-2-13(3-6-15)18-20-16-7-4-14(19)12-17(16)23-18/h2-7,12H,8-11H2,1H3
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1.60n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for amyloid beta compared to [125I]-TZDM


J Med Chem 44: 1905-14 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100133
PNG
(CHEMBL55401 | [4-(6-Bromo-benzothiazol-2-yl)-pheny...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C15H13BrN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3
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1.90n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for amyloid beta compared to [125I]-TZDM


J Med Chem 44: 1905-14 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100130
PNG
(4-(6-Iodobenzo[d]thiazol-2-yl)-N,N-dimethylaniline...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(I)cc2s1
Show InChI InChI=1S/C15H13IN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3
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2.20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for amyloid beta compared to [125I]-TZDM


J Med Chem 44: 1905-14 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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2.42n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]IPT from DAT overexpressed in LLC-PK1 cell membrane by competitive binding assay


Bioorg Med Chem Lett 22: 4303-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.030
BindingDB Entry DOI: 10.7270/Q2XG9S50
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50386906
PNG
(CHEMBL2048520)
Show SMILES CN(CCCF)C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |r,THB:22:21:13.7.12:10.9|
Show InChI InChI=1S/C19H28ClFN2/c1-22(11-3-10-21)13-18-17(14-4-6-15(20)7-5-14)12-16-8-9-19(18)23(16)2/h4-7,16-19H,3,8-13H2,1-2H3/t16-,17+,18-,19+/m0/s1
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2.64n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]IPT from DAT overexpressed in LLC-PK1 cell membrane by competitive binding assay


Bioorg Med Chem Lett 22: 4303-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.030
BindingDB Entry DOI: 10.7270/Q2XG9S50
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50156916
PNG
((1R)-3beta-(4-bromophenyl)tropane-2beta-carboxylic...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C |TLB:11:10:18:7.6,THB:2:4:18:7.6|
Show InChI InChI=1S/C16H20BrNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12?,13-,14?,15+/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-IPT from DAT transfected in pig LLC-PK1 cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 2962-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.051
BindingDB Entry DOI: 10.7270/Q2WM1DT0
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50386905
PNG
(CHEMBL2048519)
Show SMILES CN(CCF)C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |r,THB:21:20:12.6.11:9.8|
Show InChI InChI=1S/C18H26ClFN2/c1-21(10-9-20)12-17-16(13-3-5-14(19)6-4-13)11-15-7-8-18(17)22(15)2/h3-6,15-18H,7-12H2,1-2H3/t15-,16+,17-,18+/m0/s1
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3.79n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]IPT from DAT overexpressed in LLC-PK1 cell membrane by competitive binding assay


Bioorg Med Chem Lett 22: 4303-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.030
BindingDB Entry DOI: 10.7270/Q2XG9S50
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50356626
PNG
(CHEMBL1914699)
Show SMILES CN1C2CCC1[C@@H](CNc1cccc(F)n1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:16.6.17:3.4|
Show InChI InChI=1S/C20H23ClFN3/c1-25-15-9-10-18(25)17(12-23-20-4-2-3-19(22)24-20)16(11-15)13-5-7-14(21)8-6-13/h2-8,15-18H,9-12H2,1H3,(H,23,24)/t15?,16-,17+,18?/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-IPT from DAT transfected in pig LLC-PK1 cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 2962-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.051
BindingDB Entry DOI: 10.7270/Q2WM1DT0
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50386907
PNG
(CHEMBL2048521)
Show SMILES CN(CCOCCF)C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |r,THB:24:23:15.9.14:12.11|
Show InChI InChI=1S/C20H30ClFN2O/c1-23(10-12-25-11-9-22)14-19-18(15-3-5-16(21)6-4-15)13-17-7-8-20(19)24(17)2/h3-6,17-20H,7-14H2,1-2H3/t17-,18+,19-,20+/m0/s1
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4.63n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]IPT from DAT overexpressed in LLC-PK1 cell membrane by competitive binding assay


Bioorg Med Chem Lett 22: 4303-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.030
BindingDB Entry DOI: 10.7270/Q2XG9S50
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100132
PNG
(6-Bromo-2-[4-(4-methyl-piperazin-1-yl)-phenyl]-ben...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C18H18BrN3S/c1-21-8-10-22(11-9-21)15-5-2-13(3-6-15)18-20-16-7-4-14(19)12-17(16)23-18/h2-7,12H,8-11H2,1H3
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5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for amyloid beta compared to [125I]-TZDM


J Med Chem 44: 1905-14 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50304045
PNG
(CHEMBL608703 | methyl 3-(4-chlorophenyl)-8-methyl-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |r,TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12?,13-,14?,15+/m1/s1
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5.10n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-IPT from DAT transfected in pig LLC-PK1 cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 2962-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.051
BindingDB Entry DOI: 10.7270/Q2WM1DT0
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100136
PNG
(6-Iodo-2-[4-(4-methyl-piperazin-1-yl)-phenyl]-benz...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2ccc(I)cc2s1
Show InChI InChI=1S/C18H18IN3S/c1-21-8-10-22(11-9-21)15-5-2-13(3-6-15)18-20-16-7-4-14(19)12-17(16)23-18/h2-7,12H,8-11H2,1H3
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5.40n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for amyloid beta compared to [125I]-TZDM


J Med Chem 44: 1905-14 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50356629
PNG
(CHEMBL1914696)
Show SMILES CN1C2CCC1[C@@H](CNc1cccc(Br)n1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:16.6.17:3.4|
Show InChI InChI=1S/C20H23BrClN3/c1-25-15-9-10-18(25)17(12-23-20-4-2-3-19(21)24-20)16(11-15)13-5-7-14(22)8-6-13/h2-8,15-18H,9-12H2,1H3,(H,23,24)/t15?,16-,17+,18?/m1/s1
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5.60n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-IPT from DAT transfected in pig LLC-PK1 cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 2962-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.051
BindingDB Entry DOI: 10.7270/Q2WM1DT0
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50100136
PNG
(6-Iodo-2-[4-(4-methyl-piperazin-1-yl)-phenyl]-benz...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2ccc(I)cc2s1
Show InChI InChI=1S/C18H18IN3S/c1-21-8-10-22(11-9-21)15-5-2-13(3-6-15)18-20-16-7-4-14(19)12-17(16)23-18/h2-7,12H,8-11H2,1H3
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6.40n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant for amyloid beta compared to [125I]-TZDM


J Med Chem 44: 1905-14 (2001)


BindingDB Entry DOI: 10.7270/Q2V69HV8
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50055824
PNG
(2-{[(2R,3S)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bic...)
Show SMILES CN1C2CCC1[C@@H](CN(CCS)CCNCCS)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3|
Show InChI InChI=1S/C21H34ClN3S2/c1-24-18-6-7-21(24)20(15-25(11-13-27)10-8-23-9-12-26)19(14-18)16-2-4-17(22)5-3-16/h2-5,18-21,23,26-27H,6-15H2,1H3/t18?,19-,20+,21?/m1/s1
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7n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity to Dopamine transporter in rat striatal homogenates using [125I]-IPT20 as the ligand


J Med Chem 40: 9-17 (1997)


Article DOI: 10.1021/jm960532j
BindingDB Entry DOI: 10.7270/Q2WM1CHJ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50356629
PNG
(CHEMBL1914696)
Show SMILES CN1C2CCC1[C@@H](CNc1cccc(Br)n1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:16.6.17:3.4|
Show InChI InChI=1S/C20H23BrClN3/c1-25-15-9-10-18(25)17(12-23-20-4-2-3-19(21)24-20)16(11-15)13-5-7-14(22)8-6-13/h2-8,15-18H,9-12H2,1H3,(H,23,24)/t15?,16-,17+,18?/m1/s1
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7.40n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-IDAM from SERT transfected in pig LLC-PK1 cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 2962-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.051
BindingDB Entry DOI: 10.7270/Q2WM1DT0
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50356627
PNG
(CHEMBL1914698)
Show SMILES CN1C2CCC1[C@@H](CNc1ccnc(Br)c1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:16.6.17:3.4|
Show InChI InChI=1S/C20H23BrClN3/c1-25-16-6-7-19(25)18(12-24-15-8-9-23-20(21)10-15)17(11-16)13-2-4-14(22)5-3-13/h2-5,8-10,16-19H,6-7,11-12H2,1H3,(H,23,24)/t16?,17-,18+,19?/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-IPT from DAT transfected in pig LLC-PK1 cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 2962-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.051
BindingDB Entry DOI: 10.7270/Q2WM1DT0
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50062680
PNG
(2-[[2-[[[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[...)
Show SMILES CN1C2CCC1[C@@H]([C@@H]2CN1CCS[Re]2(=O)SCCN2CC1)c1ccc(Cl)cc1 |TLB:8:7:1:4.3,THB:21:6:1:4.3|
Show InChI InChI=1S/C20H31ClN3S2.O.Re/c1-23-18-6-7-19(23)20(15-2-4-16(21)5-3-15)17(18)14-24(11-13-26)10-8-22-9-12-25;;/h2-5,17-20,25-26H,6-14H2,1H3;;/q-1;;+4/p-2/t17-,18?,19?,20-;;/m1../s1
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8.42n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro bindingaffinity towards dopamine transporter in rat striatal homogenatewith [125I]-IPT as the radioligand


J Med Chem 41: 428-36 (1998)


Article DOI: 10.1021/jm970742b
BindingDB Entry DOI: 10.7270/Q2DN4459
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50122785
PNG
(4-(6-bromoH-imidazo[1,2-a]pyridin-2-yl)-N,N-dimeth...)
Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(Br)ccc2n1
Show InChI InChI=1S/C15H14BrN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,1-2H3
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10.3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates


J Med Chem 46: 237-43 (2003)


Article DOI: 10.1021/jm020351j
BindingDB Entry DOI: 10.7270/Q2WH2PBC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50356627
PNG
(CHEMBL1914698)
Show SMILES CN1C2CCC1[C@@H](CNc1ccnc(Br)c1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:16.6.17:3.4|
Show InChI InChI=1S/C20H23BrClN3/c1-25-16-6-7-19(25)18(12-24-15-8-9-23-20(21)10-15)17(11-16)13-2-4-14(22)5-3-13/h2-5,8-10,16-19H,6-7,11-12H2,1H3,(H,23,24)/t16?,17-,18+,19?/m1/s1
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11n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-IDAM from SERT transfected in pig LLC-PK1 cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 2962-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.051
BindingDB Entry DOI: 10.7270/Q2WM1DT0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50356628
PNG
(CHEMBL1914697)
Show SMILES CN1C2CCC1[C@@H](CNc1ccc(Br)nc1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:16.6.17:3.4|
Show InChI InChI=1S/C20H23BrClN3/c1-25-16-7-8-19(25)18(12-23-15-6-9-20(21)24-11-15)17(10-16)13-2-4-14(22)5-3-13/h2-6,9,11,16-19,23H,7-8,10,12H2,1H3/t16?,17-,18+,19?/m1/s1
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11n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-IDAM from SERT transfected in pig LLC-PK1 cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 2962-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.051
BindingDB Entry DOI: 10.7270/Q2WM1DT0
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50154364
PNG
((6R,10bS)-6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10...)
Show SMILES CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m1/s1
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11.3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for Norepinephrine transporter (NET) expressed in LCK PK1 cells


J Med Chem 47: 5258-64 (2004)


Article DOI: 10.1021/jm049917p
BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50386903
PNG
(CHEMBL559741)
Show SMILES [H][C@@]12CC[C@]([H])([C@H]([C@@H](C1)c1ccc(C)cc1)C(=O)OCCF)N2C\C=C\I |r|
Show InChI InChI=1S/C20H25FINO2/c1-14-3-5-15(6-4-14)17-13-16-7-8-18(23(16)11-2-10-22)19(17)20(24)25-12-9-21/h2-6,10,16-19H,7-9,11-13H2,1H3/b10-2+/t16-,17+,18-,19+/m1/s1
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12n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Binding affinity to DAT


Bioorg Med Chem Lett 22: 4303-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.030
BindingDB Entry DOI: 10.7270/Q2XG9S50
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50062679
PNG
(2-[[2-[[[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[...)
Show SMILES CN1C2CCC1[C@@H]([C@H]2CN1CCS[Re]2(=O)SCCN2CC1)c1ccc(Cl)cc1 |TLB:8:7:1:4.3,THB:21:6:1:4.3|
Show InChI InChI=1S/C20H31ClN3S2.O.Re/c1-23-18-6-7-19(23)20(15-2-4-16(21)5-3-15)17(18)14-24(11-13-26)10-8-22-9-12-25;;/h2-5,17-20,25-26H,6-14H2,1H3;;/q-1;;+4/p-2/t17-,18?,19?,20+;;/m0../s1
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13.9n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro bindingaffinity towards dopamine transporter in rat striatal homogenatewith [125I]-IPT as the radioligand


J Med Chem 41: 428-36 (1998)


Article DOI: 10.1021/jm970742b
BindingDB Entry DOI: 10.7270/Q2DN4459
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50055825
PNG
(CHEMBL295441 | Rhenium Compound)
Show SMILES CN1C2CCC1[C@@H](CN1CCS[Re]3(=O)SCCN3CC1)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3|
Show InChI InChI=1S/C21H33ClN3S2.O.Re/c1-24-18-6-7-21(24)20(15-25(11-13-27)10-8-23-9-12-26)19(14-18)16-2-4-17(22)5-3-16;;/h2-5,18-21,26-27H,6-15H2,1H3;;/q-1;;+4/p-2/t18?,19-,20+,21?;;/m1../s1
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14n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards dopamine transporter using [125I]-IPT20 as radioligand in rat striatal homogenates


J Med Chem 40: 9-17 (1997)


Article DOI: 10.1021/jm960532j
BindingDB Entry DOI: 10.7270/Q2WM1CHJ
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50451132
PNG
(CHEMBL2079586 | WIN-35428)
Show SMILES [H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2|
Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14-,15+/m1/s1
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15n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-IPT from DAT transfected in pig LLC-PK1 cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 2962-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.051
BindingDB Entry DOI: 10.7270/Q2WM1DT0
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50122787
PNG
(2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyr...)
Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(I)ccc2n1
Show InChI InChI=1S/C15H14IN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,1-2H3
PDB
MMDB

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15n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates


J Med Chem 46: 237-43 (2003)


Article DOI: 10.1021/jm020351j
BindingDB Entry DOI: 10.7270/Q2WH2PBC
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50154367
PNG
(2-(2-Dimethylaminomethyl-benzyl)-5-iodo-phenylamin...)
Show SMILES CN(C)Cc1ccccc1Cc1ccc(I)cc1N
Show InChI InChI=1S/C16H19IN2/c1-19(2)11-14-6-4-3-5-12(14)9-13-7-8-15(17)10-16(13)18/h3-8,10H,9,11,18H2,1-2H3
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17n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for Norepinephrine transporter (NET) expressed in LCK PK1 cells


J Med Chem 47: 5258-64 (2004)


Article DOI: 10.1021/jm049917p
BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50356628
PNG
(CHEMBL1914697)
Show SMILES CN1C2CCC1[C@@H](CNc1ccc(Br)nc1)[C@H](C2)c1ccc(Cl)cc1 |r,TLB:0:1:16.6.17:3.4|
Show InChI InChI=1S/C20H23BrClN3/c1-25-16-7-8-19(25)18(12-23-15-6-9-20(21)24-11-15)17(10-16)13-2-4-14(22)5-3-13/h2-6,9,11,16-19,23H,7-8,10,12H2,1H3/t16?,17-,18+,19?/m1/s1
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18n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-IPT from DAT transfected in pig LLC-PK1 cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 2962-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.051
BindingDB Entry DOI: 10.7270/Q2WM1DT0
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50386910
PNG
(CHEMBL2048524)
Show SMILES CN(C)C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2CCF |r,TLB:19:18:10.4.9:7.6|
Show InChI InChI=1S/C18H26ClFN2/c1-21(2)12-17-16(13-3-5-14(19)6-4-13)11-15-7-8-18(17)22(15)10-9-20/h3-6,15-18H,7-12H2,1-2H3/t15-,16+,17-,18+/m0/s1
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18.3n/an/an/an/an/an/an/an/a



Beijing Normal University

Curated by ChEMBL


Assay Description
Displacement of [125I]IPT from DAT overexpressed in LLC-PK1 cell membrane by competitive binding assay


Bioorg Med Chem Lett 22: 4303-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.030
BindingDB Entry DOI: 10.7270/Q2XG9S50
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50154366
PNG
(CHEMBL183470 | [2-(2-Dimethylaminomethyl-phenoxy)-...)
Show SMILES CN(C)Cc1ccccc1Oc1ccc(I)cc1CO
Show InChI InChI=1S/C16H18INO2/c1-18(2)10-12-5-3-4-6-15(12)20-16-8-7-14(17)9-13(16)11-19/h3-9,19H,10-11H2,1-2H3
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20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for Norepinephrine transporter (NET) expressed in LCK PK1 cells


J Med Chem 47: 5258-64 (2004)


Article DOI: 10.1021/jm049917p
BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
More data for this
Ligand-Target Pair
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