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Compile Data Set for Download or QSAR

Found 1973 hits of ic50 data for polymerid = 2272   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50175387
PNG
((R)-2-(2-hydroxy-3-(2-methyl-1-(naphthalen-2-yl)pr...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccccc1C#N
Show InChI InChI=1S/C24H26N2O2/c1-24(2,14-18-11-12-19-7-3-4-8-20(19)13-18)26-16-22(27)17-28-23-10-6-5-9-21(23)15-25/h3-13,22,26-27H,14,16-17H2,1-2H3/t22-/m1/s1
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n/an/a 0.00200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of DAT


J Med Chem 52: 6599-605 (2009)


Article DOI: 10.1021/jm900563e
BindingDB Entry DOI: 10.7270/Q2WM1FB4
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50378146
PNG
(CHEMBL1204009)
Show SMILES CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(c1)C#N
Show InChI InChI=1S/C29H34N2O4/c1-4-34-28(33)14-11-21-10-13-27(25(15-21)18-30)35-20-26(32)19-31-29(2,3)17-22-9-12-23-7-5-6-8-24(23)16-22/h5-10,12-13,15-16,26,31-32H,4,11,14,17,19-20H2,1-3H3/t26-/m1/s1
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n/an/a 0.0590n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of DAT


J Med Chem 52: 6599-605 (2009)


Article DOI: 10.1021/jm900563e
BindingDB Entry DOI: 10.7270/Q2WM1FB4
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50067772
PNG
(CHEMBL343369 | Rhenium complex of 3-(2-Bromo-2,2,2...)
Show SMILES CN1C2CCC1[C@@H](COC(=O)CC[S+]1CC[S+](C)[Re]1(Br)(C=O)(C=O)C=O)[C@H](C2)c1ccc(F)cc1
Show InChI InChI=1S/C21H30FNO2S2.3CHO.BrH.Re/c1-23-17-7-8-20(23)19(14-25-21(24)9-10-27-12-11-26-2)18(13-17)15-3-5-16(22)6-4-15;3*1-2;;/h3-6,17-20H,7-14H2,1-2H3;3*1H;1H;/q;;;;;+3/p-1/t17?,18-,19+,20?;;;;;/m1...../s1
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n/an/a 0.146n/an/an/an/an/an/a



Institut f£r Bioanorganische und Radiopharmazeutische Chemie

Curated by ChEMBL


Assay Description
The compound was tested in vitro for high binding affinity for the Dopamine transporter (DAT) using competitive binding assay.


J Med Chem 41: 4429-32 (1998)


Article DOI: 10.1021/jm981008a
BindingDB Entry DOI: 10.7270/Q2GH9JNP
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50161093
PNG
((R)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthale...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N
Show InChI InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of DAT


J Med Chem 52: 6599-605 (2009)


Article DOI: 10.1021/jm900563e
BindingDB Entry DOI: 10.7270/Q2WM1FB4
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50067771
PNG
(3-(2-Methylsulfanyl-ethylsulfanyl)-propionic acid ...)
Show SMILES CSCCSCCC(=O)OC[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)N2C
Show InChI InChI=1S/C21H30FNO2S2/c1-23-17-7-8-20(23)19(14-25-21(24)9-10-27-12-11-26-2)18(13-17)15-3-5-16(22)6-4-15/h3-6,17-20H,7-14H2,1-2H3/t17?,18-,19+,20?/m1/s1
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n/an/a 0.227n/an/an/an/an/an/a



Institut f£r Bioanorganische und Radiopharmazeutische Chemie

Curated by ChEMBL


Assay Description
The compound was tested in vitro for high binding affinity for the Dopamine transporter (DAT) using competitive binding assay.


J Med Chem 41: 4429-32 (1998)


Article DOI: 10.1021/jm981008a
BindingDB Entry DOI: 10.7270/Q2GH9JNP
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50260904
PNG
((1R,2R,3S,5S)-2-(2,2-dibromovinyl)-8-methyl-3-p-to...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@@H](C=C(Br)Br)[C@H](C2)c1ccc(C)cc1
Show InChI InChI=1S/C17H21Br2N/c1-11-3-5-12(6-4-11)14-9-13-7-8-16(20(13)2)15(14)10-17(18)19/h3-6,10,13-16H,7-9H2,1-2H3/t13-,14+,15-,16+/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from dopamine transporter


Bioorg Med Chem 16: 5529-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.008
BindingDB Entry DOI: 10.7270/Q2057GTJ
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50102589
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1C2[C@H](O)C[C@H](CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9-,10?,13+,14?,15?/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50260905
PNG
((1R,2R,3S,5S)-3-(4-chlorophenyl)-2-(2,2-dibromovin...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@@H](C=C(Br)Br)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H18Br2ClN/c1-20-12-6-7-15(20)14(9-16(17)18)13(8-12)10-2-4-11(19)5-3-10/h2-5,9,12-15H,6-8H2,1H3/t12-,13+,14-,15+/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from dopamine transporter


Bioorg Med Chem 16: 5529-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.008
BindingDB Entry DOI: 10.7270/Q2057GTJ
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50004167
PNG
((2R,3S)-3-(4-Chloro-phenyl)-2-((E)-2-chloro-vinyl)...)
Show SMILES CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8+/t13?,14-,15+,16?/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol from dopamine transporter


Bioorg Med Chem Lett 3: 1327-1332 (1993)


Article DOI: 10.1016/S0960-894X(00)80341-8
BindingDB Entry DOI: 10.7270/Q2RJ4JZN
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50334460
PNG
(((1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicy...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C19H25IN2O/c1-21-15-8-9-17(21)18(19(23)22-10-2-3-11-22)16(12-15)13-4-6-14(20)7-5-13/h4-7,15-18H,2-3,8-12H2,1H3/t15-,16+,17+,18-/m0/s1
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n/an/a 0.370n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of DAT


Bioorg Med Chem Lett 21: 38-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.075
BindingDB Entry DOI: 10.7270/Q20K28VR
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 0.380n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.


J Med Chem 43: 2982-91 (2000)


Article DOI: 10.1021/jm000191g
BindingDB Entry DOI: 10.7270/Q2CZ37VX
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.


J Med Chem 43: 2982-91 (2000)


Article DOI: 10.1021/jm000191g
BindingDB Entry DOI: 10.7270/Q2CZ37VX
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.


J Med Chem 43: 2982-91 (2000)


Article DOI: 10.1021/jm000191g
BindingDB Entry DOI: 10.7270/Q2CZ37VX
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
inhibition of [3H]WIN-35428 binding to the dopamine transporter (DAT) in monkey caudate-putamen.


J Med Chem 40: 2661-73 (1997)


Article DOI: 10.1021/jm9703045
BindingDB Entry DOI: 10.7270/Q23T9HXJ
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50063324
PNG
(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3
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n/an/a 0.490n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50063324
PNG
(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3
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n/an/a 0.490n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.


J Med Chem 43: 2982-91 (2000)


Article DOI: 10.1021/jm000191g
BindingDB Entry DOI: 10.7270/Q2CZ37VX
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50090975
PNG
(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)[C@@H]1C2CCC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3/t16?,17?,18?,19-/m0/s1
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n/an/a 0.570n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.


J Med Chem 43: 2982-91 (2000)


Article DOI: 10.1021/jm000191g
BindingDB Entry DOI: 10.7270/Q2CZ37VX
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50063324
PNG
(8-Methyl-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3
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n/an/a 0.570n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50127392
PNG
(3-(4-Chloro-3-methyl-phenyl)-8-methyl-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C
Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13-,15?,16?/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of dopamine (DA) reuptake using cloned human dopamine transporter was determined


J Med Chem 46: 1775-94 (2003)


Article DOI: 10.1021/jm030092d
BindingDB Entry DOI: 10.7270/Q2FF3T3J
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50046734
PNG
(3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2
Show InChI InChI=1S/C15H17Cl2NO2/c1-20-15(19)14-10(7-9-3-5-13(14)18-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14,18H,3,5,7H2,1H3
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n/an/a 0.660n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM160629
PNG
(US9045468, 45)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3c(CN4CCC3(CC4)c3ccc(Cl)c(Cl)c3)c2)nn1
Show InChI InChI=1S/C23H18Cl2F3N3O/c24-18-4-1-15(12-19(18)25)22-7-9-31(10-8-22)13-14-11-16(2-3-17(14)22)32-21-6-5-20(29-30-21)23(26,27)28/h1-6,11-12H,7-10,13H2
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n/an/a 0.700n/an/an/an/a7.94



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9045468 (2015)


BindingDB Entry DOI: 10.7270/Q24J0CV4
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50004167
PNG
((2R,3S)-3-(4-Chloro-phenyl)-2-((E)-2-chloro-vinyl)...)
Show SMILES CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8+/t13?,14-,15+,16?/m0/s1
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n/an/a 0.730n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]dopamine uptake


Bioorg Med Chem Lett 3: 1327-1332 (1993)


Article DOI: 10.1016/S0960-894X(00)80341-8
BindingDB Entry DOI: 10.7270/Q2RJ4JZN
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50349803
PNG
(CHEMBL1812741)
Show SMILES CCc1cc(on1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C20H26N2O/c1-4-15-11-19(23-21-15)20-17(14-7-5-13(2)6-8-14)12-16-9-10-18(20)22(16)3/h5-8,11,16-18,20H,4,9-10,12H2,1-3H3/t16-,17+,18+,20-/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of human DAT expressed in HEK293 cells assessed as inhibition of [3H]DA reuptake after 10 mins by scintillation counting


J Med Chem 53: 8345-53 (2010)


Article DOI: 10.1021/jm100994w
BindingDB Entry DOI: 10.7270/Q24M95H8
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50102564
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES COC(=O)C1C2[C@@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO3/c1-19-9-6-10(8-3-4-11(17)12(18)5-8)14(16(21)22-2)15(19)13(20)7-9/h3-5,9-10,13-15,20H,6-7H2,1-2H3/t9?,10?,13-,14?,15?/m0/s1
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n/an/a 0.760n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50260933
PNG
(3beta-(4-Methylphenyl)-2beta-(phenylethynyl)tropan...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccccc1)[C@H](C2)c1ccc(C)cc1
Show InChI InChI=1S/C23H25N/c1-17-8-11-19(12-9-17)22-16-20-13-15-23(24(20)2)21(22)14-10-18-6-4-3-5-7-18/h3-9,11-12,20-23H,13,15-16H2,1-2H3/t20-,21-,22+,23+/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from dopamine transporter


Bioorg Med Chem 16: 5529-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.008
BindingDB Entry DOI: 10.7270/Q2057GTJ
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50260934
PNG
(3beta-(4-Chlorophenyl)-2beta-(phenylethynyl)tropan...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccccc1)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClN/c1-24-19-12-14-22(24)20(13-7-16-5-3-2-4-6-16)21(15-19)17-8-10-18(23)11-9-17/h2-6,8-11,19-22H,12,14-15H2,1H3/t19-,20-,21+,22+/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from dopamine transporter


Bioorg Med Chem 16: 5529-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.008
BindingDB Entry DOI: 10.7270/Q2057GTJ
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50102577
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2[C@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C17H21Cl2NO3/c1-3-23-17(22)15-11(9-4-5-12(18)13(19)6-9)7-10-8-14(21)16(15)20(10)2/h4-6,10-11,14-16,21H,3,7-8H2,1-2H3/t10?,11?,14-,15?,16?/m1/s1
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n/an/a 0.810n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50273607
PNG
((1R,2S,3S,5R)-methyl 3-(4-chloro-3-methylphenyl)-8...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C
Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13-,15-,16+/m1/s1
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n/an/a 0.820n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT (unknown origin)


J Med Chem 51: 8048-56 (2008)


Article DOI: 10.1021/jm801162z
BindingDB Entry DOI: 10.7270/Q2Q24027
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50349805
PNG
(CHEMBL1812739)
Show SMILES CC(C)OC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3/t15-,16+,17+,18-/m0/s1
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n/an/a 0.830n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of human DAT expressed in HEK293 cells assessed as inhibition of [3H]DA reuptake after 10 mins by scintillation counting


J Med Chem 53: 8345-53 (2010)


Article DOI: 10.1021/jm100994w
BindingDB Entry DOI: 10.7270/Q24M95H8
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50260935
PNG
(3beta-(4-Chlorophenyl)-2beta-(4-nitrophenylethynyl...)
Show SMILES CN1[C@H]2CC[C@@H]1[C@@H](C#Cc1ccc(cc1)[N+]([O-])=O)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClN2O2/c1-24-19-11-13-22(24)20(21(14-19)16-5-7-17(23)8-6-16)12-4-15-2-9-18(10-3-15)25(26)27/h2-3,5-10,19-22H,11,13-14H2,1H3/t19-,20-,21+,22+/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from dopamine transporter


Bioorg Med Chem 16: 5529-35 (2008)


Article DOI: 10.1016/j.bmc.2008.04.008
BindingDB Entry DOI: 10.7270/Q2057GTJ
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50177110
PNG
(2-beta-(4-fluorophenyl)-3-beta-(4-methylphenyl)tro...)
Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN/c1-14-3-5-15(6-4-14)19-13-18-11-12-20(23(18)2)21(19)16-7-9-17(22)10-8-16/h3-10,18-21H,11-13H2,1-2H3/t18?,19-,20?,21+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT


J Med Chem 48: 7437-44 (2005)


Article DOI: 10.1021/jm0582423
BindingDB Entry DOI: 10.7270/Q2B56KJX
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50004167
PNG
((2R,3S)-3-(4-Chloro-phenyl)-2-((E)-2-chloro-vinyl)...)
Show SMILES CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8+/t13?,14-,15+,16?/m0/s1
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n/an/a 0.990n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]dopamine uptake


Bioorg Med Chem Lett 3: 1327-1332 (1993)


Article DOI: 10.1016/S0960-894X(00)80341-8
BindingDB Entry DOI: 10.7270/Q2RJ4JZN
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50322521
PNG
((2S,3S)-2-(4-Methoxyphenyl)-3,5,5-trimethylmorphol...)
Show SMILES COc1ccc(cc1)[C@]1(O)OCC(C)(C)N[C@H]1C
Show InChI InChI=1S/C14H21NO3/c1-10-14(16,18-9-13(2,3)15-10)11-5-7-12(17-4)8-6-11/h5-8,10,15-16H,9H2,1-4H3/t10-,14+/m0/s1
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n/an/a>1n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50337830
PNG
(CHEMBL1683875 | N-((1-(3,4-dichlorophenyl)cyclohex...)
Show SMILES CCN(C)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-3-19(2)12-16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11H,3-6,9-10,12H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50090982
PNG
(4''-Bromo-[1,1';4',1'']terphenyl-2-carboxylic acid...)
Show SMILES COC(=O)c1ccccc1-c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C20H15BrO2/c1-23-20(22)19-5-3-2-4-18(19)16-8-6-14(7-9-16)15-10-12-17(21)13-11-15/h2-13H,1H3
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n/an/a 1n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.


J Med Chem 43: 2982-91 (2000)


Article DOI: 10.1021/jm000191g
BindingDB Entry DOI: 10.7270/Q2CZ37VX
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50322532
PNG
((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
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n/an/a>1n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50322509
PNG
((+/-)3,5,5-Trimethyl-2-(pyridin-3-yl)morpholin-2-o...)
Show SMILES CC1NC(C)(C)COC1(O)c1cccnc1
Show InChI InChI=1S/C12H18N2O2/c1-9-12(15,10-5-4-6-13-7-10)16-8-11(2,3)14-9/h4-7,9,14-15H,8H2,1-3H3
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n/an/a>1n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50322508
PNG
((+/-)3,5,5-Trimethyl-2-(pyridin-2-yl)morpholin-2-o...)
Show SMILES CC1NC(C)(C)COC1(O)c1ccccn1
Show InChI InChI=1S/C12H18N2O2/c1-9-12(15,10-6-4-5-7-13-10)16-8-11(2,3)14-9/h4-7,9,14-15H,8H2,1-3H3
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n/an/a>1n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50337829
PNG
(1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dimethylm...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2N/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50322515
PNG
((2S,3S)-2-(Naphthalen-1-yl)-3,5,5-trimethylmorphol...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C23H25NO2/c1-16-23(25,26-15-22(2,3)24-16)19-11-6-10-18(14-19)21-13-7-9-17-8-4-5-12-20(17)21/h4-14,16,24-25H,15H2,1-3H3/t16-,23+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50322520
PNG
((2S,3S)-2-Biphenyl-4-yl-3,5,5-trimethylmorpholin-2...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H23NO2/c1-14-19(21,22-13-18(2,3)20-14)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,20-21H,13H2,1-3H3/t14-,19+/m0/s1
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n/an/a>1n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 4731-48 (2010)


Article DOI: 10.1021/jm1003232
BindingDB Entry DOI: 10.7270/Q2CF9Q9N
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50337831
PNG
(CHEMBL1683899 | N,N-dimethyl-1-(1-(naphthalen-1-yl...)
Show SMILES CN(C)CC1(CCCCC1)c1cccc2ccccc12
Show InChI InChI=1S/C19H25N/c1-20(2)15-19(13-6-3-7-14-19)18-12-8-10-16-9-4-5-11-17(16)18/h4-5,8-12H,3,6-7,13-15H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50118266
PNG
(9-Benzo[1,3]dioxol-5-yl-1,2,3,9-tetrahydro-4,9a-di...)
Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H16N2O3/c21-18(12-6-7-15-16(10-12)23-11-22-15)14-5-2-1-4-13(14)17-19-8-3-9-20(17)18/h1-2,4-7,10,21H,3,8-9,11H2
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n/an/a 1.09n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 radioligand binding to the Dopamine Transporter in guinea pig striatal membrane


J Med Chem 45: 4097-109 (2002)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 1.09n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50035738
PNG
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C
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
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n/an/a 1.10n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT


J Med Chem 47: 6401-9 (2004)


Article DOI: 10.1021/jm0401311
BindingDB Entry DOI: 10.7270/Q2W37X4B
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50102577
PNG
(3-(3,4-Dichloro-phenyl)-7-hydroxy-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2[C@H](O)CC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C17H21Cl2NO3/c1-3-23-17(22)15-11(9-4-5-12(18)13(19)6-9)7-10-8-14(21)16(15)20(10)2/h4-6,10-11,14-16,21H,3,7-8H2,1-2H3/t10?,11?,14-,15?,16?/m1/s1
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Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen


J Med Chem 44: 2619-35 (2001)


Article DOI: 10.1021/jm0101242
BindingDB Entry DOI: 10.7270/Q2K35VC3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
inhibition of [3H]WIN-35428 binding to the dopamine transporter (DAT) in monkey caudate-putamen.


J Med Chem 40: 2661-73 (1997)


Article DOI: 10.1021/jm9703045
BindingDB Entry DOI: 10.7270/Q23T9HXJ
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50005576
PNG
((3S,8R)-3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C
Show InChI InChI=1S/C16H20INO2/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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n/an/a 1.10n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter


J Med Chem 37: 2001-10 (1994)


Article DOI: 10.1021/jm00039a014
BindingDB Entry DOI: 10.7270/Q2M90992
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
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