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PubMed code 19821577

Compile data set for download or QSAR
Found 178 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))
BDBM50302924
PNG
(2-(tert-Butylamino)-3',4'-dichloropentanophenone |...)
Show SMILES CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2NO/c1-5-6-13(18-15(2,3)4)14(19)10-7-8-11(16)12(17)9-10/h7-9,13,18H,5-6H2,1-4H3
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PubMed
43.7n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302927
PNG
(2-(N-tert-Butylamino)-3'-chloropentanophenone | 2-...)
Show SMILES CCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClNO/c1-5-7-13(17-15(2,3)4)14(18)11-8-6-9-12(16)10-11/h6,8-10,13,17H,5,7H2,1-4H3
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96n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302913
PNG
(2-(N-tert-Butylamino)-3'-chlorophenyl-4-methylpent...)
Show SMILES CC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H24ClNO/c1-11(2)9-14(18-16(3,4)5)15(19)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,9H2,1-5H3
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140n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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272n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302914
PNG
(2-(tert-Butylamino)-3',4'-dichlorobutyrophenone | ...)
Show SMILES CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H19Cl2NO/c1-5-12(17-14(2,3)4)13(18)9-6-7-10(15)11(16)8-9/h6-8,12,17H,5H2,1-4H3
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278n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302932
PNG
(1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...)
Show SMILES CC(NC1CCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3
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343n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302931
PNG
(2-(N-tert-Butylamino)-3'-chlorohexanophenone | CHE...)
Show SMILES CCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H24ClNO/c1-5-6-10-14(18-16(2,3)4)15(19)12-8-7-9-13(17)11-12/h7-9,11,14,18H,5-6,10H2,1-4H3
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350n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302929
PNG
(2-(N-tert-Butylamino)-3'-chlorobutyrophenone | 2-(...)
Show SMILES CCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-5-12(16-14(2,3)4)13(17)10-7-6-8-11(15)9-10/h6-9,12,16H,5H2,1-4H3
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459n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302918
PNG
(2-(N-tert-Butylamino)-3',4'-dichloropropiophenone ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3
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472n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302909
PNG
(2-(N-tert-Butylamino)-3'-chlorooctanophenone | CHE...)
Show SMILES CCCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H28ClNO/c1-5-6-7-8-12-16(20-18(2,3)4)17(21)14-10-9-11-15(19)13-14/h9-11,13,16,20H,5-8,12H2,1-4H3
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510n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302924
PNG
(2-(tert-Butylamino)-3',4'-dichloropentanophenone |...)
Show SMILES CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2NO/c1-5-6-13(18-15(2,3)4)14(19)10-7-8-11(16)12(17)9-10/h7-9,13,18H,5-6H2,1-4H3
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520n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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601n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302921
PNG
(2-(N-tert-Butylamino)-3'-chloroheptanophenone | CH...)
Show SMILES CCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H26ClNO/c1-5-6-7-11-15(19-17(2,3)4)16(20)13-9-8-10-14(18)12-13/h8-10,12,15,19H,5-7,11H2,1-4H3
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709n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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830n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302924
PNG
(2-(tert-Butylamino)-3',4'-dichloropentanophenone |...)
Show SMILES CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2NO/c1-5-6-13(18-15(2,3)4)14(19)10-7-8-11(16)12(17)9-10/h7-9,13,18H,5-6H2,1-4H3
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842n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302914
PNG
(2-(tert-Butylamino)-3',4'-dichlorobutyrophenone | ...)
Show SMILES CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H19Cl2NO/c1-5-12(17-14(2,3)4)13(18)9-6-7-10(15)11(16)8-9/h6-8,12,17H,5H2,1-4H3
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860n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50048392
PNG
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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871n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302928
PNG
(1-(3-chlorophenyl)-2-(piperidin-1-yl)propan-1-one ...)
Show SMILES CC(N1CCCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H18ClNO/c1-11(16-8-3-2-4-9-16)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,2-4,8-9H2,1H3
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1.15E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302907
PNG
(2-(N-Cyclopropylamino)-3-chloropropiophenone | CHE...)
Show SMILES CC(NC1CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3
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1.15E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302917
PNG
(2-(N-tert-Butylamino)-3'-chloro-4'-methylpropiophe...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-9-6-7-11(8-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
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1.15E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302927
PNG
(2-(N-tert-Butylamino)-3'-chloropentanophenone | 2-...)
Show SMILES CCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClNO/c1-5-7-13(17-15(2,3)4)14(18)11-8-6-9-12(16)10-11/h6,8-10,13,17H,5,7H2,1-4H3
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1.17E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302922
PNG
(1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)c(C)c1
Show InChI InChI=1S/C14H20BrNO/c1-9-8-11(6-7-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
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1.22E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302918
PNG
(2-(N-tert-Butylamino)-3',4'-dichloropropiophenone ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3
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1.48E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302923
PNG
(2-(N-tert-Butylamino)-3'-chlorophenyl-4-cyclohexyl...)
Show SMILES CC(C)(C)NC(CCC1CCCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H30ClNO/c1-20(2,3)22-18(13-12-15-8-5-4-6-9-15)19(23)16-10-7-11-17(21)14-16/h7,10-11,14-15,18,22H,4-6,8-9,12-13H2,1-3H3
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1.70E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302922
PNG
(1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)c(C)c1
Show InChI InChI=1S/C14H20BrNO/c1-9-8-11(6-7-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
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1.74E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302932
PNG
(1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...)
Show SMILES CC(NC1CCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3
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1.80E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302910
PNG
(1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3
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1.92E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302917
PNG
(2-(N-tert-Butylamino)-3'-chloro-4'-methylpropiophe...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-9-6-7-11(8-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
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2.10E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302911
PNG
(2-(N-tert-Butylamino)-4'-chloropropiophenone | 2-(...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3
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2.20E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302916
PNG
(1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-on...)
Show SMILES CC(NC1CCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H18ClNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3
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2.20E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302915
PNG
(2-(N,N-Diethylamino)-3'-chloropropiophenone | CHEM...)
Show SMILES CCN(CC)C(C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-4-15(5-2)10(3)13(16)11-7-6-8-12(14)9-11/h6-10H,4-5H2,1-3H3
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2.21E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302914
PNG
(2-(tert-Butylamino)-3',4'-dichlorobutyrophenone | ...)
Show SMILES CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H19Cl2NO/c1-5-12(17-14(2,3)4)13(18)9-6-7-10(15)11(16)8-9/h6-8,12,17H,5H2,1-4H3
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2.24E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302913
PNG
(2-(N-tert-Butylamino)-3'-chlorophenyl-4-methylpent...)
Show SMILES CC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H24ClNO/c1-11(2)9-14(18-16(3,4)5)15(19)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,9H2,1-5H3
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2.30E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302909
PNG
(2-(N-tert-Butylamino)-3'-chlorooctanophenone | CHE...)
Show SMILES CCCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H28ClNO/c1-5-6-7-8-12-16(20-18(2,3)4)17(21)14-10-9-11-15(19)13-14/h9-11,13,16,20H,5-8,12H2,1-4H3
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2.58E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302908
PNG
(1-(3-chlorophenyl)-2-(dimethylamino)propan-1-one |...)
Show SMILES CC(N(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C11H14ClNO/c1-8(13(2)3)11(14)9-5-4-6-10(12)7-9/h4-8H,1-3H3
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3.09E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302931
PNG
(2-(N-tert-Butylamino)-3'-chlorohexanophenone | CHE...)
Show SMILES CCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H24ClNO/c1-5-6-10-14(18-16(2,3)4)15(19)12-8-7-9-13(17)11-12/h7-9,11,14,18H,5-6,10H2,1-4H3
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3.19E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302929
PNG
(2-(N-tert-Butylamino)-3'-chlorobutyrophenone | 2-(...)
Show SMILES CCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-5-12(16-14(2,3)4)13(17)10-7-6-8-11(15)9-10/h6-9,12,16H,5H2,1-4H3
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3.20E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302907
PNG
(2-(N-Cyclopropylamino)-3-chloropropiophenone | CHE...)
Show SMILES CC(NC1CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3
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3.42E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302932
PNG
(1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...)
Show SMILES CC(NC1CCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3
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3.45E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302923
PNG
(2-(N-tert-Butylamino)-3'-chlorophenyl-4-cyclohexyl...)
Show SMILES CC(C)(C)NC(CCC1CCCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H30ClNO/c1-20(2,3)22-18(13-12-15-8-5-4-6-9-15)19(23)16-10-7-11-17(21)14-16/h7,10-11,14-15,18,22H,4-6,8-9,12-13H2,1-3H3
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3.80E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302920
PNG
(2-(N-Isopropylamino)-3'-chloropropiophenone | CHEM...)
Show SMILES CC(C)NC(C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H16ClNO/c1-8(2)14-9(3)12(15)10-5-4-6-11(13)7-10/h4-9,14H,1-3H3
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3.98E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302907
PNG
(2-(N-Cyclopropylamino)-3-chloropropiophenone | CHE...)
Show SMILES CC(NC1CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3
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4.00E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302926
PNG
((1R,2R)-2-(tert-butylamino)-1-phenylpropan-1-ol | ...)
Show SMILES CC(NC(C)(C)C)C(O)c1ccccc1
Show InChI InChI=1S/C13H21NO/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11/h5-10,12,14-15H,1-4H3
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4.00E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302908
PNG
(1-(3-chlorophenyl)-2-(dimethylamino)propan-1-one |...)
Show SMILES CC(N(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C11H14ClNO/c1-8(13(2)3)11(14)9-5-4-6-10(12)7-9/h4-8H,1-3H3
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4.13E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302910
PNG
(1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3
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4.17E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302930
PNG
(1-(3-bromophenyl)-2-(tert-butylamino)propan-1-one ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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4.20E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302921
PNG
(2-(N-tert-Butylamino)-3'-chloroheptanophenone | CH...)
Show SMILES CCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H26ClNO/c1-5-6-7-11-15(19-17(2,3)4)16(20)13-9-8-10-14(18)12-13/h8-10,12,15,19H,5-7,11H2,1-4H3
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4.30E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302915
PNG
(2-(N,N-Diethylamino)-3'-chloropropiophenone | CHEM...)
Show SMILES CCN(CC)C(C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-4-15(5-2)10(3)13(16)11-7-6-8-12(14)9-11/h6-10H,4-5H2,1-3H3
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4.48E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302925
PNG
(2-(tert-Butylamino)-3'-fluoropropiophenone | 2-(te...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C13H18FNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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4.51E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302922
PNG
(1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)c(C)c1
Show InChI InChI=1S/C14H20BrNO/c1-9-8-11(6-7-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
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4.60E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302928
PNG
(1-(3-chlorophenyl)-2-(piperidin-1-yl)propan-1-one ...)
Show SMILES CC(N1CCCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H18ClNO/c1-11(16-8-3-2-4-9-16)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,2-4,8-9H2,1H3
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4.76E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302917
PNG
(2-(N-tert-Butylamino)-3'-chloro-4'-methylpropiophe...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-9-6-7-11(8-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
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5.10E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302918
PNG
(2-(N-tert-Butylamino)-3',4'-dichloropropiophenone ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3
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5.40E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302928
PNG
(1-(3-chlorophenyl)-2-(piperidin-1-yl)propan-1-one ...)
Show SMILES CC(N1CCCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H18ClNO/c1-11(16-8-3-2-4-9-16)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,2-4,8-9H2,1H3
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5.48E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302939
PNG
(2-(tert-Butylamino)-3',5'-difluoropropiophenone | ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C13H17F2NO/c1-8(16-13(2,3)4)12(17)9-5-10(14)7-11(15)6-9/h5-8,16H,1-4H3
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5.66E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302912
PNG
(2-(N-tert-Butylamino)propiophenone | CHEMBL569699)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccccc1
Show InChI InChI=1S/C13H19NO/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11/h5-10,14H,1-4H3
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5.70E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302916
PNG
(1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-on...)
Show SMILES CC(NC1CCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H18ClNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3
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5.70E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302912
PNG
(2-(N-tert-Butylamino)propiophenone | CHEMBL569699)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccccc1
Show InChI InChI=1S/C13H19NO/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11/h5-10,14H,1-4H3
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5.73E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302923
PNG
(2-(N-tert-Butylamino)-3'-chlorophenyl-4-cyclohexyl...)
Show SMILES CC(C)(C)NC(CCC1CCCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H30ClNO/c1-20(2,3)22-18(13-12-15-8-5-4-6-9-15)19(23)16-10-7-11-17(21)14-16/h7,10-11,14-15,18,22H,4-6,8-9,12-13H2,1-3H3
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6.20E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302913
PNG
(2-(N-tert-Butylamino)-3'-chlorophenyl-4-methylpent...)
Show SMILES CC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H24ClNO/c1-11(2)9-14(18-16(3,4)5)15(19)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,9H2,1-5H3
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6.20E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302919
PNG
(2-(N-Methyl-N-tert-butylamino)-3'-chloropropiophen...)
Show SMILES CC(N(C)C(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-10(16(5)14(2,3)4)13(17)11-7-6-8-12(15)9-11/h6-10H,1-5H3
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6.40E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302941
PNG
(2-(N-tert-Butylamino)-4'-methylpropiophenone | 2-(...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H21NO/c1-10-6-8-12(9-7-10)13(16)11(2)15-14(3,4)5/h6-9,11,15H,1-5H3
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6.84E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50048392
PNG
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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6.97E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302930
PNG
(1-(3-bromophenyl)-2-(tert-butylamino)propan-1-one ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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>7.14E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302940
PNG
(2-(tert-butylamino)-1-(3,4-difluorophenyl)propan-1...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C13H17F2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302942
PNG
(2-(N-tert-Butylamino)-3'-methylpropiophenone | 2-(...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(C)c1
Show InChI InChI=1S/C14H21NO/c1-10-7-6-8-12(9-10)13(16)11(2)15-14(3,4)5/h6-9,11,15H,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302942
PNG
(2-(N-tert-Butylamino)-3'-methylpropiophenone | 2-(...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(C)c1
Show InChI InChI=1S/C14H21NO/c1-10-7-6-8-12(9-10)13(16)11(2)15-14(3,4)5/h6-9,11,15H,1-5H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302934
PNG
(2-tert-butyl-3-methyl-2,3-dihydroisoquinolin-4(1H)...)
Show SMILES CC1N(Cc2ccc(Cl)cc2C1=O)C(C)(C)C
Show InChI InChI=1S/C14H18ClNO/c1-9-13(17)12-7-11(15)6-5-10(12)8-16(9)14(2,3)4/h5-7,9H,8H2,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302908
PNG
(1-(3-chlorophenyl)-2-(dimethylamino)propan-1-one |...)
Show SMILES CC(N(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C11H14ClNO/c1-8(13(2)3)11(14)9-5-4-6-10(12)7-9/h4-8H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302920
PNG
(2-(N-Isopropylamino)-3'-chloropropiophenone | CHEM...)
Show SMILES CC(C)NC(C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H16ClNO/c1-8(2)14-9(3)12(15)10-5-4-6-11(13)7-10/h4-9,14H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302920
PNG
(2-(N-Isopropylamino)-3'-chloropropiophenone | CHEM...)
Show SMILES CC(C)NC(C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H16ClNO/c1-8(2)14-9(3)12(15)10-5-4-6-11(13)7-10/h4-9,14H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302937
PNG
(2-(N-Propylamino)-3'-chloropropiophenone | CHEMBL5...)
Show SMILES CCCNC(C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H16ClNO/c1-3-7-14-9(2)12(15)10-5-4-6-11(13)8-10/h4-6,8-9,14H,3,7H2,1-2H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302935
PNG
(3-(tert-butylamino)-1-(3-chlorophenyl)-2-methylpro...)
Show SMILES CC(CNC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-10(9-16-14(2,3)4)13(17)11-6-5-7-12(15)8-11/h5-8,10,16H,9H2,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302936
PNG
(2-(N-tert-Butylamino)-1-(2'-thienyl)-1-propanone |...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccs1
Show InChI InChI=1S/C11H17NOS/c1-8(12-11(2,3)4)10(13)9-6-5-7-14-9/h5-8,12H,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302931
PNG
(2-(N-tert-Butylamino)-3'-chlorohexanophenone | CHE...)
Show SMILES CCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H24ClNO/c1-5-6-10-14(18-16(2,3)4)15(19)12-8-7-9-13(17)11-12/h7-9,11,14,18H,5-6,10H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302929
PNG
(2-(N-tert-Butylamino)-3'-chlorobutyrophenone | 2-(...)
Show SMILES CCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-5-12(16-14(2,3)4)13(17)10-7-6-8-11(15)9-10/h6-9,12,16H,5H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302938
PNG
(2-(tert-Butylamino)-3',5'-dichloropropiophenone | ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-10(14)7-11(15)6-9/h5-8,16H,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302938
PNG
(2-(tert-Butylamino)-3',5'-dichloropropiophenone | ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-10(14)7-11(15)6-9/h5-8,16H,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302941
PNG
(2-(N-tert-Butylamino)-4'-methylpropiophenone | 2-(...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H21NO/c1-10-6-8-12(9-7-10)13(16)11(2)15-14(3,4)5/h6-9,11,15H,1-5H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302934
PNG
(2-tert-butyl-3-methyl-2,3-dihydroisoquinolin-4(1H)...)
Show SMILES CC1N(Cc2ccc(Cl)cc2C1=O)C(C)(C)C
Show InChI InChI=1S/C14H18ClNO/c1-9-13(17)12-7-11(15)6-5-10(12)8-16(9)14(2,3)4/h5-7,9H,8H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302934
PNG
(2-tert-butyl-3-methyl-2,3-dihydroisoquinolin-4(1H)...)
Show SMILES CC1N(Cc2ccc(Cl)cc2C1=O)C(C)(C)C
Show InChI InChI=1S/C14H18ClNO/c1-9-13(17)12-7-11(15)6-5-10(12)8-16(9)14(2,3)4/h5-7,9H,8H2,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302936
PNG
(2-(N-tert-Butylamino)-1-(2'-thienyl)-1-propanone |...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccs1
Show InChI InChI=1S/C11H17NOS/c1-8(12-11(2,3)4)10(13)9-6-5-7-14-9/h5-8,12H,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302937
PNG
(2-(N-Propylamino)-3'-chloropropiophenone | CHEMBL5...)
Show SMILES CCCNC(C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H16ClNO/c1-3-7-14-9(2)12(15)10-5-4-6-11(13)8-10/h4-6,8-9,14H,3,7H2,1-2H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302921
PNG
(2-(N-tert-Butylamino)-3'-chloroheptanophenone | CH...)
Show SMILES CCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H26ClNO/c1-5-6-7-11-15(19-17(2,3)4)16(20)13-9-8-10-14(18)12-13/h8-10,12,15,19H,5-7,11H2,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302939
PNG
(2-(tert-Butylamino)-3',5'-difluoropropiophenone | ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C13H17F2NO/c1-8(16-13(2,3)4)12(17)9-5-10(14)7-11(15)6-9/h5-8,16H,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302925
PNG
(2-(tert-Butylamino)-3'-fluoropropiophenone | 2-(te...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C13H18FNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302912
PNG
(2-(N-tert-Butylamino)propiophenone | CHEMBL569699)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccccc1
Show InChI InChI=1S/C13H19NO/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11/h5-10,14H,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302933
PNG
(2-(tert-butylamino)-7-chloro-3,4-dihydronaphthalen...)
Show SMILES CC(C)(C)NC1CCc2ccc(Cl)cc2C1=O
Show InChI InChI=1S/C14H18ClNO/c1-14(2,3)16-12-7-5-9-4-6-10(15)8-11(9)13(12)17/h4,6,8,12,16H,5,7H2,1-3H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302916
PNG
(1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-on...)
Show SMILES CC(NC1CCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H18ClNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302937
PNG
(2-(N-Propylamino)-3'-chloropropiophenone | CHEMBL5...)
Show SMILES CCCNC(C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H16ClNO/c1-3-7-14-9(2)12(15)10-5-4-6-11(13)8-10/h4-6,8-9,14H,3,7H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302938
PNG
(2-(tert-Butylamino)-3',5'-dichloropropiophenone | ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-10(14)7-11(15)6-9/h5-8,16H,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302911
PNG
(2-(N-tert-Butylamino)-4'-chloropropiophenone | 2-(...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302911
PNG
(2-(N-tert-Butylamino)-4'-chloropropiophenone | 2-(...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50048392
PNG
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302926
PNG
((1R,2R)-2-(tert-butylamino)-1-phenylpropan-1-ol | ...)
Show SMILES CC(NC(C)(C)C)C(O)c1ccccc1
Show InChI InChI=1S/C13H21NO/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11/h5-10,12,14-15H,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302935
PNG
(3-(tert-butylamino)-1-(3-chlorophenyl)-2-methylpro...)
Show SMILES CC(CNC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-10(9-16-14(2,3)4)13(17)11-6-5-7-12(15)8-11/h5-8,10,16H,9H2,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302927
PNG
(2-(N-tert-Butylamino)-3'-chloropentanophenone | 2-...)
Show SMILES CCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClNO/c1-5-7-13(17-15(2,3)4)14(18)11-8-6-9-12(16)10-11/h6,8-10,13,17H,5,7H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302941
PNG
(2-(N-tert-Butylamino)-4'-methylpropiophenone | 2-(...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H21NO/c1-10-6-8-12(9-7-10)13(16)11(2)15-14(3,4)5/h6-9,11,15H,1-5H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302926
PNG
((1R,2R)-2-(tert-butylamino)-1-phenylpropan-1-ol | ...)
Show SMILES CC(NC(C)(C)C)C(O)c1ccccc1
Show InChI InChI=1S/C13H21NO/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11/h5-10,12,14-15H,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302933
PNG
(2-(tert-butylamino)-7-chloro-3,4-dihydronaphthalen...)
Show SMILES CC(C)(C)NC1CCc2ccc(Cl)cc2C1=O
Show InChI InChI=1S/C14H18ClNO/c1-14(2,3)16-12-7-5-9-4-6-10(15)8-11(9)13(12)17/h4,6,8,12,16H,5,7H2,1-3H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302919
PNG
(2-(N-Methyl-N-tert-butylamino)-3'-chloropropiophen...)
Show SMILES CC(N(C)C(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-10(16(5)14(2,3)4)13(17)11-7-6-8-12(15)9-11/h6-10H,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302940
PNG
(2-(tert-butylamino)-1-(3,4-difluorophenyl)propan-1...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C13H17F2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302910
PNG
(1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302930
PNG
(1-(3-bromophenyl)-2-(tert-butylamino)propan-1-one ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302919
PNG
(2-(N-Methyl-N-tert-butylamino)-3'-chloropropiophen...)
Show SMILES CC(N(C)C(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-10(16(5)14(2,3)4)13(17)11-7-6-8-12(15)9-11/h6-10H,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302933
PNG
(2-(tert-butylamino)-7-chloro-3,4-dihydronaphthalen...)
Show SMILES CC(C)(C)NC1CCc2ccc(Cl)cc2C1=O
Show InChI InChI=1S/C14H18ClNO/c1-14(2,3)16-12-7-5-9-4-6-10(15)8-11(9)13(12)17/h4,6,8,12,16H,5,7H2,1-3H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302942
PNG
(2-(N-tert-Butylamino)-3'-methylpropiophenone | 2-(...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(C)c1
Show InChI InChI=1S/C14H21NO/c1-10-7-6-8-12(9-10)13(16)11(2)15-14(3,4)5/h6-9,11,15H,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302940
PNG
(2-(tert-butylamino)-1-(3,4-difluorophenyl)propan-1...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C13H17F2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302939
PNG
(2-(tert-Butylamino)-3',5'-difluoropropiophenone | ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C13H17F2NO/c1-8(16-13(2,3)4)12(17)9-5-10(14)7-11(15)6-9/h5-8,16H,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302909
PNG
(2-(N-tert-Butylamino)-3'-chlorooctanophenone | CHE...)
Show SMILES CCCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H28ClNO/c1-5-6-7-8-12-16(20-18(2,3)4)17(21)14-10-9-11-15(19)13-14/h9-11,13,16,20H,5-8,12H2,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302915
PNG
(2-(N,N-Diethylamino)-3'-chloropropiophenone | CHEM...)
Show SMILES CCN(CC)C(C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-4-15(5-2)10(3)13(16)11-7-6-8-12(14)9-11/h6-10H,4-5H2,1-3H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302925
PNG
(2-(tert-Butylamino)-3'-fluoropropiophenone | 2-(te...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C13H18FNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302935
PNG
(3-(tert-butylamino)-1-(3-chlorophenyl)-2-methylpro...)
Show SMILES CC(CNC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-10(9-16-14(2,3)4)13(17)11-6-5-7-12(15)8-11/h5-8,10,16H,9H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302936
PNG
(2-(N-tert-Butylamino)-1-(2'-thienyl)-1-propanone |...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccs1
Show InChI InChI=1S/C11H17NOS/c1-8(12-11(2,3)4)10(13)9-6-5-7-14-9/h5-8,12H,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302929
PNG
(2-(N-tert-Butylamino)-3'-chlorobutyrophenone | 2-(...)
Show SMILES CCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-5-12(16-14(2,3)4)13(17)10-7-6-8-11(15)9-10/h6-9,12,16H,5H2,1-4H3
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n/an/a 31n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302927
PNG
(2-(N-tert-Butylamino)-3'-chloropentanophenone | 2-...)
Show SMILES CCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClNO/c1-5-7-13(17-15(2,3)4)14(18)11-8-6-9-12(16)10-11/h6,8-10,13,17H,5,7H2,1-4H3
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n/an/a 33n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302924
PNG
(2-(tert-Butylamino)-3',4'-dichloropentanophenone |...)
Show SMILES CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2NO/c1-5-6-13(18-15(2,3)4)14(19)10-7-8-11(16)12(17)9-10/h7-9,13,18H,5-6H2,1-4H3
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n/an/a 43n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302931
PNG
(2-(N-tert-Butylamino)-3'-chlorohexanophenone | CHE...)
Show SMILES CCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H24ClNO/c1-5-6-10-14(18-16(2,3)4)15(19)12-8-7-9-13(17)11-12/h7-9,11,14,18H,5-6,10H2,1-4H3
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n/an/a 69n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302924
PNG
(2-(tert-Butylamino)-3',4'-dichloropentanophenone |...)
Show SMILES CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2NO/c1-5-6-13(18-15(2,3)4)14(19)10-7-8-11(16)12(17)9-10/h7-9,13,18H,5-6H2,1-4H3
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n/an/a 84n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302932
PNG
(1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...)
Show SMILES CC(NC1CCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3
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n/an/a 86n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302909
PNG
(2-(N-tert-Butylamino)-3'-chlorooctanophenone | CHE...)
Show SMILES CCCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H28ClNO/c1-5-6-7-8-12-16(20-18(2,3)4)17(21)14-10-9-11-15(19)13-14/h9-11,13,16,20H,5-8,12H2,1-4H3
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n/an/a 135n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302914
PNG
(2-(tert-Butylamino)-3',4'-dichlorobutyrophenone | ...)
Show SMILES CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H19Cl2NO/c1-5-12(17-14(2,3)4)13(18)9-6-7-10(15)11(16)8-9/h6-8,12,17H,5H2,1-4H3
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n/an/a 135n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302914
PNG
(2-(tert-Butylamino)-3',4'-dichlorobutyrophenone | ...)
Show SMILES CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H19Cl2NO/c1-5-12(17-14(2,3)4)13(18)9-6-7-10(15)11(16)8-9/h6-8,12,17H,5H2,1-4H3
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n/an/a 175n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302932
PNG
(1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...)
Show SMILES CC(NC1CCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3
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n/an/a 185n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302916
PNG
(1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-on...)
Show SMILES CC(NC1CCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H18ClNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3
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n/an/a 221n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302932
PNG
(1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...)
Show SMILES CC(NC1CCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3
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n/an/a 258n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302907
PNG
(2-(N-Cyclopropylamino)-3-chloropropiophenone | CHE...)
Show SMILES CC(NC1CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3
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n/an/a 265n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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n/an/a 267n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302918
PNG
(2-(N-tert-Butylamino)-3',4'-dichloropropiophenone ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3
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n/an/a 271n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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n/an/a 318n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302913
PNG
(2-(N-tert-Butylamino)-3'-chlorophenyl-4-methylpent...)
Show SMILES CC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H24ClNO/c1-11(2)9-14(18-16(3,4)5)15(19)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,9H2,1-5H3
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n/an/a 360n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302917
PNG
(2-(N-tert-Butylamino)-3'-chloro-4'-methylpropiophe...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-9-6-7-11(8-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
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n/an/a 400n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302931
PNG
(2-(N-tert-Butylamino)-3'-chlorohexanophenone | CHE...)
Show SMILES CCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H24ClNO/c1-5-6-10-14(18-16(2,3)4)15(19)12-8-7-9-13(17)11-12/h7-9,11,14,18H,5-6,10H2,1-4H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302913
PNG
(2-(N-tert-Butylamino)-3'-chlorophenyl-4-methylpent...)
Show SMILES CC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H24ClNO/c1-11(2)9-14(18-16(3,4)5)15(19)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,9H2,1-5H3
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n/an/a 440n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50048392
PNG
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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n/an/a 443n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302927
PNG
(2-(N-tert-Butylamino)-3'-chloropentanophenone | 2-...)
Show SMILES CCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClNO/c1-5-7-13(17-15(2,3)4)14(18)11-8-6-9-12(16)10-11/h6,8-10,13,17H,5,7H2,1-4H3
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n/an/a 472n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302922
PNG
(1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)c(C)c1
Show InChI InChI=1S/C14H20BrNO/c1-9-8-11(6-7-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
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n/an/a 473n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302917
PNG
(2-(N-tert-Butylamino)-3'-chloro-4'-methylpropiophe...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-9-6-7-11(8-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
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n/an/a 650n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302914
PNG
(2-(tert-Butylamino)-3',4'-dichlorobutyrophenone | ...)
Show SMILES CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H19Cl2NO/c1-5-12(17-14(2,3)4)13(18)9-6-7-10(15)11(16)8-9/h6-8,12,17H,5H2,1-4H3
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n/an/a 790n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302917
PNG
(2-(N-tert-Butylamino)-3'-chloro-4'-methylpropiophe...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-9-6-7-11(8-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
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n/an/a 900n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50048392
PNG
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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n/an/a 945n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302922
PNG
(1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)c(C)c1
Show InChI InChI=1S/C14H20BrNO/c1-9-8-11(6-7-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
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n/an/a 950n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302930
PNG
(1-(3-bromophenyl)-2-(tert-butylamino)propan-1-one ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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n/an/a 950n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302929
PNG
(2-(N-tert-Butylamino)-3'-chlorobutyrophenone | 2-(...)
Show SMILES CCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-5-12(16-14(2,3)4)13(17)10-7-6-8-11(15)9-10/h6-9,12,16H,5H2,1-4H3
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n/an/a 969n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302928
PNG
(1-(3-chlorophenyl)-2-(piperidin-1-yl)propan-1-one ...)
Show SMILES CC(N1CCCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H18ClNO/c1-11(16-8-3-2-4-9-16)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,2-4,8-9H2,1H3
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n/an/a 970n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302916
PNG
(1-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-on...)
Show SMILES CC(NC1CCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H18ClNO/c1-10(16-13-7-2-3-8-13)14(17)11-5-4-6-12(15)9-11/h4-6,9-10,13,16H,2-3,7-8H2,1H3
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n/an/a 980n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302928
PNG
(1-(3-chlorophenyl)-2-(piperidin-1-yl)propan-1-one ...)
Show SMILES CC(N1CCCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H18ClNO/c1-11(16-8-3-2-4-9-16)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,2-4,8-9H2,1H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302926
PNG
((1R,2R)-2-(tert-butylamino)-1-phenylpropan-1-ol | ...)
Show SMILES CC(NC(C)(C)C)C(O)c1ccccc1
Show InChI InChI=1S/C13H21NO/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11/h5-10,12,14-15H,1-4H3
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n/an/a 1.24E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302908
PNG
(1-(3-chlorophenyl)-2-(dimethylamino)propan-1-one |...)
Show SMILES CC(N(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C11H14ClNO/c1-8(13(2)3)11(14)9-5-4-6-10(12)7-9/h4-8H,1-3H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302910
PNG
(1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302925
PNG
(2-(tert-Butylamino)-3'-fluoropropiophenone | 2-(te...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C13H18FNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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n/an/a 1.46E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302908
PNG
(1-(3-chlorophenyl)-2-(dimethylamino)propan-1-one |...)
Show SMILES CC(N(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C11H14ClNO/c1-8(13(2)3)11(14)9-5-4-6-10(12)7-9/h4-8H,1-3H3
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n/an/a 1.53E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302921
PNG
(2-(N-tert-Butylamino)-3'-chloroheptanophenone | CH...)
Show SMILES CCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H26ClNO/c1-5-6-7-11-15(19-17(2,3)4)16(20)13-9-8-10-14(18)12-13/h8-10,12,15,19H,5-7,11H2,1-4H3
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n/an/a 1.57E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302924
PNG
(2-(tert-Butylamino)-3',4'-dichloropentanophenone |...)
Show SMILES CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2NO/c1-5-6-13(18-15(2,3)4)14(19)10-7-8-11(16)12(17)9-10/h7-9,13,18H,5-6H2,1-4H3
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n/an/a 1.58E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302922
PNG
(1-(4-bromo-3-methylphenyl)-2-(tert-butylamino)prop...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)c(C)c1
Show InChI InChI=1S/C14H20BrNO/c1-9-8-11(6-7-12(9)15)13(17)10(2)16-14(3,4)5/h6-8,10,16H,1-5H3
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n/an/a 1.62E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302915
PNG
(2-(N,N-Diethylamino)-3'-chloropropiophenone | CHEM...)
Show SMILES CCN(CC)C(C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-4-15(5-2)10(3)13(16)11-7-6-8-12(14)9-11/h6-10H,4-5H2,1-3H3
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n/an/a 1.74E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302921
PNG
(2-(N-tert-Butylamino)-3'-chloroheptanophenone | CH...)
Show SMILES CCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H26ClNO/c1-5-6-7-11-15(19-17(2,3)4)16(20)13-9-8-10-14(18)12-13/h8-10,12,15,19H,5-7,11H2,1-4H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302920
PNG
(2-(N-Isopropylamino)-3'-chloropropiophenone | CHEM...)
Show SMILES CC(C)NC(C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H16ClNO/c1-8(2)14-9(3)12(15)10-5-4-6-11(13)7-10/h4-9,14H,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302919
PNG
(2-(N-Methyl-N-tert-butylamino)-3'-chloropropiophen...)
Show SMILES CC(N(C)C(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO/c1-10(16(5)14(2,3)4)13(17)11-7-6-8-12(15)9-11/h6-10H,1-5H3
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n/an/a 2.06E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302918
PNG
(2-(N-tert-Butylamino)-3',4'-dichloropropiophenone ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302907
PNG
(2-(N-Cyclopropylamino)-3-chloropropiophenone | CHE...)
Show SMILES CC(NC1CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3
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n/an/a 2.15E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302912
PNG
(2-(N-tert-Butylamino)propiophenone | CHEMBL569699)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccccc1
Show InChI InChI=1S/C13H19NO/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11/h5-10,14H,1-4H3
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n/an/a 2.31E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302911
PNG
(2-(N-tert-Butylamino)-4'-chloropropiophenone | 2-(...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3
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n/an/a 2.32E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302910
PNG
(1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-5-7-11(14)8-6-10/h5-9,15H,1-4H3
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n/an/a 2.52E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302907
PNG
(2-(N-Cyclopropylamino)-3-chloropropiophenone | CHE...)
Show SMILES CC(NC1CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H14ClNO/c1-8(14-11-5-6-11)12(15)9-3-2-4-10(13)7-9/h2-4,7-8,11,14H,5-6H2,1H3
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n/an/a 3.18E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302941
PNG
(2-(N-tert-Butylamino)-4'-methylpropiophenone | 2-(...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C14H21NO/c1-10-6-8-12(9-7-10)13(16)11(2)15-14(3,4)5/h6-9,11,15H,1-5H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302915
PNG
(2-(N,N-Diethylamino)-3'-chloropropiophenone | CHEM...)
Show SMILES CCN(CC)C(C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-4-15(5-2)10(3)13(16)11-7-6-8-12(14)9-11/h6-10H,4-5H2,1-3H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302928
PNG
(1-(3-chlorophenyl)-2-(piperidin-1-yl)propan-1-one ...)
Show SMILES CC(N1CCCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H18ClNO/c1-11(16-8-3-2-4-9-16)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,2-4,8-9H2,1H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302909
PNG
(2-(N-tert-Butylamino)-3'-chlorooctanophenone | CHE...)
Show SMILES CCCCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H28ClNO/c1-5-6-7-8-12-16(20-18(2,3)4)17(21)14-10-9-11-15(19)13-14/h9-11,13,16,20H,5-8,12H2,1-4H3
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n/an/a 4.89E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302939
PNG
(2-(tert-Butylamino)-3',5'-difluoropropiophenone | ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C13H17F2NO/c1-8(16-13(2,3)4)12(17)9-5-10(14)7-11(15)6-9/h5-8,16H,1-4H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302930
PNG
(1-(3-bromophenyl)-2-(tert-butylamino)propan-1-one ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Br)c1
Show InChI InChI=1S/C13H18BrNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302912
PNG
(2-(N-tert-Butylamino)propiophenone | CHEMBL569699)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccccc1
Show InChI InChI=1S/C13H19NO/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11/h5-10,14H,1-4H3
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n/an/a 8.70E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302918
PNG
(2-(N-tert-Butylamino)-3',4'-dichloropropiophenone ...)
Show SMILES CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50302923
PNG
(2-(N-tert-Butylamino)-3'-chlorophenyl-4-cyclohexyl...)
Show SMILES CC(C)(C)NC(CCC1CCCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H30ClNO/c1-20(2,3)22-18(13-12-15-8-5-4-6-9-15)19(23)16-10-7-11-17(21)14-16/h7,10-11,14-15,18,22H,4-6,8-9,12-13H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50302923
PNG
(2-(N-tert-Butylamino)-3'-chlorophenyl-4-cyclohexyl...)
Show SMILES CC(C)(C)NC(CCC1CCCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H30ClNO/c1-20(2,3)22-18(13-12-15-8-5-4-6-9-15)19(23)16-10-7-11-17(21)14-16/h7,10-11,14-15,18,22H,4-6,8-9,12-13H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302923
PNG
(2-(N-tert-Butylamino)-3'-chlorophenyl-4-cyclohexyl...)
Show SMILES CC(C)(C)NC(CCC1CCCCC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H30ClNO/c1-20(2,3)22-18(13-12-15-8-5-4-6-9-15)19(23)16-10-7-11-17(21)14-16/h7,10-11,14-15,18,22H,4-6,8-9,12-13H2,1-3H3
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50302913
PNG
(2-(N-tert-Butylamino)-3'-chlorophenyl-4-methylpent...)
Show SMILES CC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H24ClNO/c1-11(2)9-14(18-16(3,4)5)15(19)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,9H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells


J Med Chem 52: 6768-81 (2009)

Checked by Author
Article DOI: 10.1021/jm901189z
BindingDB Entry DOI: 10.7270/Q2ZK5HMB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%