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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50035446   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021214
PNG
(CHEMBL300019 | CHEMBL537996 | [3-(3,4-Dichloro-phe...)
Show SMILES CNC1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021226
PNG
(CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...)
Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3
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0.400n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50146043
PNG
(CHEMBL543372 | [(1R,3S)-3-(3,4-Dichloro-phenyl)-6-...)
Show SMILES CN[C@@H]1C[C@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13-,17+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50146042
PNG
(1-(3,4-Dichloro-phenyl)-3-diethylamino-indan-5-ol ...)
Show SMILES CCN(CC)C1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H21Cl2NO/c1-3-22(4-2)19-11-15(12-5-8-17(20)18(21)9-12)14-7-6-13(23)10-16(14)19/h5-10,15,19,23H,3-4,11H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021214
PNG
(CHEMBL300019 | CHEMBL537996 | [3-(3,4-Dichloro-phe...)
Show SMILES CNC1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50021226
PNG
(CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...)
Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3
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1.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50146040
PNG
((1R,3S)-1-(3,4-Dichloro-phenyl)-3-methylamino-inda...)
Show SMILES CN[C@H]1C[C@@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3/t12-,16+/m1/s1
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2n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against Serotonin transporter


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50021226
PNG
(CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...)
Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3
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2n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against dopamine DA transporter


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50146040
PNG
((1R,3S)-1-(3,4-Dichloro-phenyl)-3-methylamino-inda...)
Show SMILES CN[C@H]1C[C@@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3/t12-,16+/m1/s1
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2n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50146040
PNG
((1R,3S)-1-(3,4-Dichloro-phenyl)-3-methylamino-inda...)
Show SMILES CN[C@H]1C[C@@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3/t12-,16+/m1/s1
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3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against dopamine DA transporter


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021226
PNG
(CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...)
Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3
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3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against Serotonin transporter


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021213
PNG
(1-(3,4-Dichloro-phenyl)-3-methylamino-indan-5-ol |...)
Show SMILES CNC1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3
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3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021226
PNG
(CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...)
Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3
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6n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50146043
PNG
(CHEMBL543372 | [(1R,3S)-3-(3,4-Dichloro-phenyl)-6-...)
Show SMILES CN[C@@H]1C[C@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13-,17+/m0/s1
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7n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50146043
PNG
(CHEMBL543372 | [(1R,3S)-3-(3,4-Dichloro-phenyl)-6-...)
Show SMILES CN[C@@H]1C[C@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13-,17+/m0/s1
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9n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50146040
PNG
((1R,3S)-1-(3,4-Dichloro-phenyl)-3-methylamino-inda...)
Show SMILES CN[C@H]1C[C@@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3/t12-,16+/m1/s1
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9n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50021213
PNG
(1-(3,4-Dichloro-phenyl)-3-methylamino-indan-5-ol |...)
Show SMILES CNC1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3
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11n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021226
PNG
(CHEMBL296602 | Indatraline | [3-(3,4-Dichloro-phen...)
Show SMILES CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3
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11n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against NE transporter


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50021214
PNG
(CHEMBL300019 | CHEMBL537996 | [3-(3,4-Dichloro-phe...)
Show SMILES CNC1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3
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12n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50146040
PNG
((1R,3S)-1-(3,4-Dichloro-phenyl)-3-methylamino-inda...)
Show SMILES CN[C@H]1C[C@@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3/t12-,16+/m1/s1
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12n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50021214
PNG
(CHEMBL300019 | CHEMBL537996 | [3-(3,4-Dichloro-phe...)
Show SMILES CNC1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3
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12n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50146043
PNG
(CHEMBL543372 | [(1R,3S)-3-(3,4-Dichloro-phenyl)-6-...)
Show SMILES CN[C@@H]1C[C@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13-,17+/m0/s1
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12n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against dopamine DA transporter


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021214
PNG
(CHEMBL300019 | CHEMBL537996 | [3-(3,4-Dichloro-phe...)
Show SMILES CNC1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3
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15n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021214
PNG
(CHEMBL300019 | CHEMBL537996 | [3-(3,4-Dichloro-phe...)
Show SMILES CNC1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3
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15n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50146043
PNG
(CHEMBL543372 | [(1R,3S)-3-(3,4-Dichloro-phenyl)-6-...)
Show SMILES CN[C@@H]1C[C@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13-,17+/m0/s1
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19n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against Serotonin transporter


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50146040
PNG
((1R,3S)-1-(3,4-Dichloro-phenyl)-3-methylamino-inda...)
Show SMILES CN[C@H]1C[C@@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3/t12-,16+/m1/s1
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20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against NE transporter


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021213
PNG
(1-(3,4-Dichloro-phenyl)-3-methylamino-indan-5-ol |...)
Show SMILES CNC1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3
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24n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50146041
PNG
(CHEMBL316341 | [3-(3,4-Dichloro-phenyl)-6-methoxy-...)
Show SMILES CCN(CC)C1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H23Cl2NO/c1-4-23(5-2)20-12-16(13-6-9-18(21)19(22)10-13)15-8-7-14(24-3)11-17(15)20/h6-11,16,20H,4-5,12H2,1-3H3
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26n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50146041
PNG
(CHEMBL316341 | [3-(3,4-Dichloro-phenyl)-6-methoxy-...)
Show SMILES CCN(CC)C1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H23Cl2NO/c1-4-23(5-2)20-12-16(13-6-9-18(21)19(22)10-13)15-8-7-14(24-3)11-17(15)20/h6-11,16,20H,4-5,12H2,1-3H3
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26n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50146039
PNG
((1S,3R)-1-(3,4-Dichloro-phenyl)-3-methylamino-inda...)
Show SMILES CN[C@@H]1C[C@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3/t12-,16+/m0/s1
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32n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against dopamine DA transporter


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50146043
PNG
(CHEMBL543372 | [(1R,3S)-3-(3,4-Dichloro-phenyl)-6-...)
Show SMILES CN[C@@H]1C[C@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13-,17+/m0/s1
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34n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against Serotonin transporter


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50146042
PNG
(1-(3,4-Dichloro-phenyl)-3-diethylamino-indan-5-ol ...)
Show SMILES CCN(CC)C1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H21Cl2NO/c1-3-22(4-2)19-11-15(12-5-8-17(20)18(21)9-12)14-7-6-13(23)10-16(14)19/h5-10,15,19,23H,3-4,11H2,1-2H3
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40n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50146039
PNG
((1S,3R)-1-(3,4-Dichloro-phenyl)-3-methylamino-inda...)
Show SMILES CN[C@@H]1C[C@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3/t12-,16+/m0/s1
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41n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against Serotonin transporter


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50146039
PNG
((1S,3R)-1-(3,4-Dichloro-phenyl)-3-methylamino-inda...)
Show SMILES CN[C@@H]1C[C@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3/t12-,16+/m0/s1
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43n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50146038
PNG
(CHEMBL554565 | [(1S,3R)-3-(3,4-Dichloro-phenyl)-6-...)
Show SMILES CN[C@H]1C[C@@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13-,17+/m1/s1
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51n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50146039
PNG
((1S,3R)-1-(3,4-Dichloro-phenyl)-3-methylamino-inda...)
Show SMILES CN[C@@H]1C[C@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3/t12-,16+/m0/s1
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86n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50146038
PNG
(CHEMBL554565 | [(1S,3R)-3-(3,4-Dichloro-phenyl)-6-...)
Show SMILES CN[C@H]1C[C@@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13-,17+/m1/s1
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109n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against Serotonin transporter


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50146039
PNG
((1S,3R)-1-(3,4-Dichloro-phenyl)-3-methylamino-inda...)
Show SMILES CN[C@@H]1C[C@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3/t12-,16+/m0/s1
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160n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against NE transporter


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50146039
PNG
((1S,3R)-1-(3,4-Dichloro-phenyl)-3-methylamino-inda...)
Show SMILES CN[C@@H]1C[C@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2NO/c1-19-16-8-12(9-2-5-14(17)15(18)6-9)11-4-3-10(20)7-13(11)16/h2-7,12,16,19-20H,8H2,1H3/t12-,16+/m0/s1
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440n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50146038
PNG
(CHEMBL554565 | [(1S,3R)-3-(3,4-Dichloro-phenyl)-6-...)
Show SMILES CN[C@H]1C[C@@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13-,17+/m1/s1
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600n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50146038
PNG
(CHEMBL554565 | [(1S,3R)-3-(3,4-Dichloro-phenyl)-6-...)
Show SMILES CN[C@H]1C[C@@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13-,17+/m1/s1
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600n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50146038
PNG
(CHEMBL554565 | [(1S,3R)-3-(3,4-Dichloro-phenyl)-6-...)
Show SMILES CN[C@H]1C[C@@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13-,17+/m1/s1
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650n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against NE transporter


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50146038
PNG
(CHEMBL554565 | [(1S,3R)-3-(3,4-Dichloro-phenyl)-6-...)
Show SMILES CN[C@H]1C[C@@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-17-9-13(10-3-6-15(18)16(19)7-10)12-5-4-11(21-2)8-14(12)17/h3-8,13,17,20H,9H2,1-2H3/t13-,17+/m1/s1
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820n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50146041
PNG
(CHEMBL316341 | [3-(3,4-Dichloro-phenyl)-6-methoxy-...)
Show SMILES CCN(CC)C1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H23Cl2NO/c1-4-23(5-2)20-12-16(13-6-9-18(21)19(22)10-13)15-8-7-14(24-3)11-17(15)20/h6-11,16,20H,4-5,12H2,1-3H3
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1.01E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50146041
PNG
(CHEMBL316341 | [3-(3,4-Dichloro-phenyl)-6-methoxy-...)
Show SMILES CCN(CC)C1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H23Cl2NO/c1-4-23(5-2)20-12-16(13-6-9-18(21)19(22)10-13)15-8-7-14(24-3)11-17(15)20/h6-11,16,20H,4-5,12H2,1-3H3
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1.31E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibitory activity against dopamine DA transporter


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50146041
PNG
(CHEMBL316341 | [3-(3,4-Dichloro-phenyl)-6-methoxy-...)
Show SMILES CCN(CC)C1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H23Cl2NO/c1-4-23(5-2)20-12-16(13-6-9-18(21)19(22)10-13)15-8-7-14(24-3)11-17(15)20/h6-11,16,20H,4-5,12H2,1-3H3
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1.31E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50146042
PNG
(1-(3,4-Dichloro-phenyl)-3-diethylamino-indan-5-ol ...)
Show SMILES CCN(CC)C1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H21Cl2NO/c1-3-22(4-2)19-11-15(12-5-8-17(20)18(21)9-12)14-7-6-13(23)10-16(14)19/h5-10,15,19,23H,3-4,11H2,1-2H3
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1.33E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50146041
PNG
(CHEMBL316341 | [3-(3,4-Dichloro-phenyl)-6-methoxy-...)
Show SMILES CCN(CC)C1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H23Cl2NO/c1-4-23(5-2)20-12-16(13-6-9-18(21)19(22)10-13)15-8-7-14(24-3)11-17(15)20/h6-11,16,20H,4-5,12H2,1-3H3
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>4.70E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of from norepinephrine transporter of frozen rat caudate membranes


J Med Chem 47: 2624-34 (2004)


Article DOI: 10.1021/jm0305873
BindingDB Entry DOI: 10.7270/Q2MK6DF4
More data for this
Ligand-Target Pair