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PubMed code 12877586

Compile data set for download or QSAR
Found 40 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 dopamine transporter


(Homo sapiens (Human))		BDBM50131653
PNG
((1R,12R) -N-[ (2- ( ( 3'-N-propyl-3''alpha- (4-flu...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
Show InChI InChI=1S/C25H38FN3O2S2.O.Re/c1-2-23(30)25-21(18-4-6-19(26)7-5-18)16-20-8-9-22(25)29(20)12-3-11-28(13-15-33)17-24(31)27-10-14-32;;/h4-7,20-22,25H,2-3,8-17H2,1H3,(H3,27,31,32,33);;/q;;+4/p-3
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n/an/a 1.5n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50058286
PNG
((1R,12R) | (1R,12S) | CHEMBL119561 | Diastereiosom...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
Show InChI InChI=1S/C24H36FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19-21,23H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3
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n/an/a 2.90n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50058286
PNG
((1R,12R) | (1R,12S) | CHEMBL119561 | Diastereiosom...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
Show InChI InChI=1S/C24H36FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19-21,23H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3
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n/an/a 2.90n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50058286
PNG
((1R,12R) | (1R,12S) | CHEMBL119561 | Diastereiosom...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
Show InChI InChI=1S/C24H36FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19-21,23H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3
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n/an/a 2.90n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50131653
PNG
((1R,12R) -N-[ (2- ( ( 3'-N-propyl-3''alpha- (4-flu...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
Show InChI InChI=1S/C25H38FN3O2S2.O.Re/c1-2-23(30)25-21(18-4-6-19(26)7-5-18)16-20-8-9-22(25)29(20)12-3-11-28(13-15-33)17-24(31)27-10-14-32;;/h4-7,20-22,25H,2-3,8-17H2,1H3,(H3,27,31,32,33);;/q;;+4/p-3
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n/an/a 3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50131653
PNG
((1R,12R) -N-[ (2- ( ( 3'-N-propyl-3''alpha- (4-flu...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
Show InChI InChI=1S/C25H38FN3O2S2.O.Re/c1-2-23(30)25-21(18-4-6-19(26)7-5-18)16-20-8-9-22(25)29(20)12-3-11-28(13-15-33)17-24(31)27-10-14-32;;/h4-7,20-22,25H,2-3,8-17H2,1H3,(H3,27,31,32,33);;/q;;+4/p-3
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n/an/a 3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50131651
PNG
(CHEMBL332491 | O-1339 | O-2130)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:22:21:4.10.9:6.7,THB:11:10:21:6.7,2:4:21:6.7|
Show InChI InChI=1S/C28H39N3O3S2.O.Re/c1-34-28(33)27-24(22-8-7-20-5-2-3-6-21(20)17-22)18-23-9-10-25(27)31(23)13-4-12-30(14-16-36)19-26(32)29-11-15-35;;/h2-3,5-8,17,23-25,27H,4,9-16,18-19H2,1H3,(H3,29,32,35,36);;/q;;+4/p-3
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n/an/a 3.64n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50058286
PNG
((1R,12R) | (1R,12S) | CHEMBL119561 | Diastereiosom...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
Show InChI InChI=1S/C24H36FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19-21,23H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3
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n/an/a 3.80n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50131651
PNG
(CHEMBL332491 | O-1339 | O-2130)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:22:21:4.10.9:6.7,THB:11:10:21:6.7,2:4:21:6.7|
Show InChI InChI=1S/C28H39N3O3S2.O.Re/c1-34-28(33)27-24(22-8-7-20-5-2-3-6-21(20)17-22)18-23-9-10-25(27)31(23)13-4-12-30(14-16-36)19-26(32)29-11-15-35;;/h2-3,5-8,17,23-25,27H,4,9-16,18-19H2,1H3,(H3,29,32,35,36);;/q;;+4/p-3
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n/an/a 4n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50131655
PNG
(CHEMBL117698 | N-[ (2-( ( 3'-N-propyl-( 1''R) -3''...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:11:10:19:6.7,20:19:4.10.9:6.7,THB:2:4:19:6.7|
Show InChI InChI=1S/C25H37Cl2N3O2S2.O.Re/c1-2-23(31)25-19(17-4-6-20(26)21(27)14-17)15-18-5-7-22(25)30(18)10-3-9-29(11-13-34)16-24(32)28-8-12-33;;/h4,6,14,18-19,22,25H,2-3,5,7-13,15-16H2,1H3,(H3,28,32,33,34);;/q;;+4/p-3
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n/an/a 5n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50131655
PNG
(CHEMBL117698 | N-[ (2-( ( 3'-N-propyl-( 1''R) -3''...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:11:10:19:6.7,20:19:4.10.9:6.7,THB:2:4:19:6.7|
Show InChI InChI=1S/C25H37Cl2N3O2S2.O.Re/c1-2-23(31)25-19(17-4-6-20(26)21(27)14-17)15-18-5-7-22(25)30(18)10-3-9-29(11-13-34)16-24(32)28-8-12-33;;/h4,6,14,18-19,22,25H,2-3,5,7-13,15-16H2,1H3,(H3,28,32,33,34);;/q;;+4/p-3
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n/an/a 5.30n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50131653
PNG
((1R,12R) -N-[ (2- ( ( 3'-N-propyl-3''alpha- (4-flu...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
Show InChI InChI=1S/C25H38FN3O2S2.O.Re/c1-2-23(30)25-21(18-4-6-19(26)7-5-18)16-20-8-9-22(25)29(20)12-3-11-28(13-15-33)17-24(31)27-10-14-32;;/h4-7,20-22,25H,2-3,8-17H2,1H3,(H3,27,31,32,33);;/q;;+4/p-3
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n/an/a 5.90n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50058292
PNG
(CHEMBL118075 | O-1196 | O-863 | [N-[2-[(3'-N'-Prop...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCC[N+]12CCS[Re]11(=O)SCCN1C(=O)C2 |TLB:11:10:19:6.7,20:19:4.10.9:6.7,THB:2:4:19:6.7|
Show InChI InChI=1S/C24H35Cl2N3O3S2.O.Re/c1-32-24(31)23-18(16-3-5-19(25)20(26)13-16)14-17-4-6-21(23)29(17)9-2-8-28(10-12-34)15-22(30)27-7-11-33;;/h3,5,13,17-18,21,23H,2,4,6-12,14-15H2,1H3,(H3,27,30,33,34);;/q;;+4/p-3
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n/an/a 10.6n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50058292
PNG
(CHEMBL118075 | O-1196 | O-863 | [N-[2-[(3'-N'-Prop...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCC[N+]12CCS[Re]11(=O)SCCN1C(=O)C2 |TLB:11:10:19:6.7,20:19:4.10.9:6.7,THB:2:4:19:6.7|
Show InChI InChI=1S/C24H35Cl2N3O3S2.O.Re/c1-32-24(31)23-18(16-3-5-19(25)20(26)13-16)14-17-4-6-21(23)29(17)9-2-8-28(10-12-34)15-22(30)27-7-11-33;;/h3,5,13,17-18,21,23H,2,4,6-12,14-15H2,1H3,(H3,27,30,33,34);;/q;;+4/p-3
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n/an/a 10.6n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50131659
PNG
(2beta-carboxylic acid methoxymethylamide-3beta-(4-...)
Show SMILES CON(C)C(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:21:20:6.12.11:8.9,THB:13:12:20:8.9,4:6:20:8.9|
Show InChI InChI=1S/C25H39FN4O3S2.O.Re/c1-28(33-2)25(32)24-21(18-4-6-19(26)7-5-18)16-20-8-9-22(24)30(20)12-3-11-29(13-15-35)17-23(31)27-10-14-34;;/h4-7,20-22,24H,3,8-17H2,1-2H3,(H3,27,31,34,35);;/q;;+4/p-3
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n/an/a 40.5n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50131657
PNG
(CHEMBL117179 | N-[ (2-( ( 3'-N-propyl-( 1''R) -3''...)
Show SMILES COC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(Cl)c(Cl)c1 |t:4,THB:2:4:11:9.8,12:11:4.5.6:9.8|
Show InChI InChI=1S/C24H33Cl2N3O3S2.O.Re/c1-32-24(31)23-18(16-3-5-19(25)20(26)13-16)14-17-4-6-21(23)29(17)9-2-8-28(10-12-34)15-22(30)27-7-11-33;;/h3,5,13,17,21H,2,4,6-12,14-15H2,1H3,(H3,27,30,33,34);;/q;;+4/p-3
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n/an/a 60n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50131656
PNG
(CHEMBL332834 | O-1185)
Show SMILES COC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc2ccccc2c1 |t:4,THB:2:4:11:9.8,12:11:4.5.6:9.8|
Show InChI InChI=1S/C28H37N3O3S2.O.Re/c1-34-28(33)27-24(22-8-7-20-5-2-3-6-21(20)17-22)18-23-9-10-25(27)31(23)13-4-12-30(14-16-36)19-26(32)29-11-15-35;;/h2-3,5-8,17,23,25H,4,9-16,18-19H2,1H3,(H3,29,32,35,36);;/q;;+4/p-3
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n/an/a 63.4n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50058286
PNG
((1R,12R) | (1R,12S) | CHEMBL119561 | Diastereiosom...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
Show InChI InChI=1S/C24H36FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19-21,23H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3
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n/an/a 80n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50058286
PNG
((1R,12R) | (1R,12S) | CHEMBL119561 | Diastereiosom...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
Show InChI InChI=1S/C24H36FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19-21,23H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3
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n/an/a 80n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50131651
PNG
(CHEMBL332491 | O-1339 | O-2130)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:22:21:4.10.9:6.7,THB:11:10:21:6.7,2:4:21:6.7|
Show InChI InChI=1S/C28H39N3O3S2.O.Re/c1-34-28(33)27-24(22-8-7-20-5-2-3-6-21(20)17-22)18-23-9-10-25(27)31(23)13-4-12-30(14-16-36)19-26(32)29-11-15-35;;/h2-3,5-8,17,23-25,27H,4,9-16,18-19H2,1H3,(H3,29,32,35,36);;/q;;+4/p-3
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n/an/a 120n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50131651
PNG
(CHEMBL332491 | O-1339 | O-2130)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:22:21:4.10.9:6.7,THB:11:10:21:6.7,2:4:21:6.7|
Show InChI InChI=1S/C28H39N3O3S2.O.Re/c1-34-28(33)27-24(22-8-7-20-5-2-3-6-21(20)17-22)18-23-9-10-25(27)31(23)13-4-12-30(14-16-36)19-26(32)29-11-15-35;;/h2-3,5-8,17,23-25,27H,4,9-16,18-19H2,1H3,(H3,29,32,35,36);;/q;;+4/p-3
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n/an/a 120n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50131653
PNG
((1R,12R) -N-[ (2- ( ( 3'-N-propyl-3''alpha- (4-flu...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
Show InChI InChI=1S/C25H38FN3O2S2.O.Re/c1-2-23(30)25-21(18-4-6-19(26)7-5-18)16-20-8-9-22(25)29(20)12-3-11-28(13-15-33)17-24(31)27-10-14-32;;/h4-7,20-22,25H,2-3,8-17H2,1H3,(H3,27,31,32,33);;/q;;+4/p-3
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n/an/a 200n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50058286
PNG
((1R,12R) | (1R,12S) | CHEMBL119561 | Diastereiosom...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
Show InChI InChI=1S/C24H36FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19-21,23H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3
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n/an/a 299n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50131655
PNG
(CHEMBL117698 | N-[ (2-( ( 3'-N-propyl-( 1''R) -3''...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:11:10:19:6.7,20:19:4.10.9:6.7,THB:2:4:19:6.7|
Show InChI InChI=1S/C25H37Cl2N3O2S2.O.Re/c1-2-23(31)25-19(17-4-6-20(26)21(27)14-17)15-18-5-7-22(25)30(18)10-3-9-29(11-13-34)16-24(32)28-8-12-33;;/h4,6,14,18-19,22,25H,2-3,5,7-13,15-16H2,1H3,(H3,28,32,33,34);;/q;;+4/p-3
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n/an/a 337n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50131655
PNG
(CHEMBL117698 | N-[ (2-( ( 3'-N-propyl-( 1''R) -3''...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:11:10:19:6.7,20:19:4.10.9:6.7,THB:2:4:19:6.7|
Show InChI InChI=1S/C25H37Cl2N3O2S2.O.Re/c1-2-23(31)25-19(17-4-6-20(26)21(27)14-17)15-18-5-7-22(25)30(18)10-3-9-29(11-13-34)16-24(32)28-8-12-33;;/h4,6,14,18-19,22,25H,2-3,5,7-13,15-16H2,1H3,(H3,28,32,33,34);;/q;;+4/p-3
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n/an/a 337n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50058292
PNG
(CHEMBL118075 | O-1196 | O-863 | [N-[2-[(3'-N'-Prop...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCC[N+]12CCS[Re]11(=O)SCCN1C(=O)C2 |TLB:11:10:19:6.7,20:19:4.10.9:6.7,THB:2:4:19:6.7|
Show InChI InChI=1S/C24H35Cl2N3O3S2.O.Re/c1-32-24(31)23-18(16-3-5-19(25)20(26)13-16)14-17-4-6-21(23)29(17)9-2-8-28(10-12-34)15-22(30)27-7-11-33;;/h3,5,13,17-18,21,23H,2,4,6-12,14-15H2,1H3,(H3,27,30,33,34);;/q;;+4/p-3
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n/an/a 639n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50058292
PNG
(CHEMBL118075 | O-1196 | O-863 | [N-[2-[(3'-N'-Prop...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2CCC[N+]12CCS[Re]11(=O)SCCN1C(=O)C2 |TLB:11:10:19:6.7,20:19:4.10.9:6.7,THB:2:4:19:6.7|
Show InChI InChI=1S/C24H35Cl2N3O3S2.O.Re/c1-32-24(31)23-18(16-3-5-19(25)20(26)13-16)14-17-4-6-21(23)29(17)9-2-8-28(10-12-34)15-22(30)27-7-11-33;;/h3,5,13,17-18,21,23H,2,4,6-12,14-15H2,1H3,(H3,27,30,33,34);;/q;;+4/p-3
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n/an/a 639n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50131654
PNG
(CHEMBL326945 | N-[ (2-( ( 3'-N-propyl-( 1''R) -3''...)
Show SMILES CCC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(F)cc1 |t:4,THB:12:11:4.5.6:9.8,2:4:11:9.8|
Show InChI InChI=1S/C25H36FN3O2S2.O.Re/c1-2-23(30)25-21(18-4-6-19(26)7-5-18)16-20-8-9-22(25)29(20)12-3-11-28(13-15-33)17-24(31)27-10-14-32;;/h4-7,20,22H,2-3,8-17H2,1H3,(H3,27,31,32,33);;/q;;+4/p-3
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n/an/a 660n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50131656
PNG
(CHEMBL332834 | O-1185)
Show SMILES COC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc2ccccc2c1 |t:4,THB:2:4:11:9.8,12:11:4.5.6:9.8|
Show InChI InChI=1S/C28H37N3O3S2.O.Re/c1-34-28(33)27-24(22-8-7-20-5-2-3-6-21(20)17-22)18-23-9-10-25(27)31(23)13-4-12-30(14-16-36)19-26(32)29-11-15-35;;/h2-3,5-8,17,23,25H,4,9-16,18-19H2,1H3,(H3,29,32,35,36);;/q;;+4/p-3
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n/an/a 964n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50131653
PNG
((1R,12R) -N-[ (2- ( ( 3'-N-propyl-3''alpha- (4-flu...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
Show InChI InChI=1S/C25H38FN3O2S2.O.Re/c1-2-23(30)25-21(18-4-6-19(26)7-5-18)16-20-8-9-22(25)29(20)12-3-11-28(13-15-33)17-24(31)27-10-14-32;;/h4-7,20-22,25H,2-3,8-17H2,1H3,(H3,27,31,32,33);;/q;;+4/p-3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50131653
PNG
((1R,12R) -N-[ (2- ( ( 3'-N-propyl-3''alpha- (4-flu...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
Show InChI InChI=1S/C25H38FN3O2S2.O.Re/c1-2-23(30)25-21(18-4-6-19(26)7-5-18)16-20-8-9-22(25)29(20)12-3-11-28(13-15-33)17-24(31)27-10-14-32;;/h4-7,20-22,25H,2-3,8-17H2,1H3,(H3,27,31,32,33);;/q;;+4/p-3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50131652
PNG
(CHEMBL117703 | N-[ (2-( ( 3'-N-propyl-( 1''R) -3''...)
Show SMILES CCC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(Cl)c(Cl)c1 |t:4,THB:12:11:4.5.6:9.8,2:4:11:9.8|
Show InChI InChI=1S/C25H35Cl2N3O2S2.O.Re/c1-2-23(31)25-19(17-4-6-20(26)21(27)14-17)15-18-5-7-22(25)30(18)10-3-9-29(11-13-34)16-24(32)28-8-12-33;;/h4,6,14,18,22H,2-3,5,7-13,15-16H2,1H3,(H3,28,32,33,34);;/q;;+4/p-3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50058286
PNG
((1R,12R) | (1R,12S) | CHEMBL119561 | Diastereiosom...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
Show InChI InChI=1S/C24H36FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19-21,23H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50131657
PNG
(CHEMBL117179 | N-[ (2-( ( 3'-N-propyl-( 1''R) -3''...)
Show SMILES COC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(Cl)c(Cl)c1 |t:4,THB:2:4:11:9.8,12:11:4.5.6:9.8|
Show InChI InChI=1S/C24H33Cl2N3O3S2.O.Re/c1-32-24(31)23-18(16-3-5-19(25)20(26)13-16)14-17-4-6-21(23)29(17)9-2-8-28(10-12-34)15-22(30)27-7-11-33;;/h3,5,13,17,21H,2,4,6-12,14-15H2,1H3,(H3,27,30,33,34);;/q;;+4/p-3
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n/an/a 1.69E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50131652
PNG
(CHEMBL117703 | N-[ (2-( ( 3'-N-propyl-( 1''R) -3''...)
Show SMILES CCC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(Cl)c(Cl)c1 |t:4,THB:12:11:4.5.6:9.8,2:4:11:9.8|
Show InChI InChI=1S/C25H35Cl2N3O2S2.O.Re/c1-2-23(31)25-19(17-4-6-20(26)21(27)14-17)15-18-5-7-22(25)30(18)10-3-9-29(11-13-34)16-24(32)28-8-12-33;;/h4,6,14,18,22H,2-3,5,7-13,15-16H2,1H3,(H3,28,32,33,34);;/q;;+4/p-3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50131654
PNG
(CHEMBL326945 | N-[ (2-( ( 3'-N-propyl-( 1''R) -3''...)
Show SMILES CCC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(F)cc1 |t:4,THB:12:11:4.5.6:9.8,2:4:11:9.8|
Show InChI InChI=1S/C25H36FN3O2S2.O.Re/c1-2-23(30)25-21(18-4-6-19(26)7-5-18)16-20-8-9-22(25)29(20)12-3-11-28(13-15-33)17-24(31)27-10-14-32;;/h4-7,20,22H,2-3,8-17H2,1H3,(H3,27,31,32,33);;/q;;+4/p-3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50131659
PNG
(2beta-carboxylic acid methoxymethylamide-3beta-(4-...)
Show SMILES CON(C)C(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:21:20:6.12.11:8.9,THB:13:12:20:8.9,4:6:20:8.9|
Show InChI InChI=1S/C25H39FN4O3S2.O.Re/c1-28(33-2)25(32)24-21(18-4-6-19(26)7-5-18)16-20-8-9-22(24)30(20)12-3-11-29(13-15-35)17-23(31)27-10-14-34;;/h4-7,20-22,24H,3,8-17H2,1-2H3,(H3,27,31,34,35);;/q;;+4/p-3
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n/an/a 3.26E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50131658
PNG
(CHEMBL117362 | N-[ (2-( ( 3'-N-propyl-( 1''R) -3''...)
Show SMILES COC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(F)cc1 |t:4,THB:12:11:4.5.6:9.8,2:4:11:9.8|
Show InChI InChI=1S/C24H34FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19,21H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50131658
PNG
(CHEMBL117362 | N-[ (2-( ( 3'-N-propyl-( 1''R) -3''...)
Show SMILES COC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(F)cc1 |t:4,THB:12:11:4.5.6:9.8,2:4:11:9.8|
Show InChI InChI=1S/C24H34FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19,21H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50131653
PNG
((1R,12R) -N-[ (2- ( ( 3'-N-propyl-3''alpha- (4-flu...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1 |TLB:19:18:4.10.9:6.7,THB:11:10:18:6.7,2:4:18:6.7|
Show InChI InChI=1S/C25H38FN3O2S2.O.Re/c1-2-23(30)25-21(18-4-6-19(26)7-5-18)16-20-8-9-22(25)29(20)12-3-11-28(13-15-33)17-24(31)27-10-14-32;;/h4-7,20-22,25H,2-3,8-17H2,1H3,(H3,27,31,32,33);;/q;;+4/p-3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...

J Med Chem 46: 3483-96 (2003)


Article DOI: 10.1021/jm0301484
BindingDB Entry DOI: 10.7270/Q2CZ36JG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%