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Patent code US9120771

Compile Data Set for Download or QSAR
Found 46 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 serotonin transporter


(Homo sapiens (Human))		BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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US Patent
n/an/a 3.58n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM177679
PNG
(US9120771, KHG26767)
Show SMILES Clc1ccc(cc1Cl)C(Oc1ccccc1)C1CNC1
Show InChI InChI=1S/C16H15Cl2NO/c17-14-7-6-11(8-15(14)18)16(12-9-19-10-12)20-13-4-2-1-3-5-13/h1-8,12,16,19H,9-10H2
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n/an/a 4.30n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM177679
PNG
(US9120771, KHG26767)
Show SMILES Clc1ccc(cc1Cl)C(Oc1ccccc1)C1CNC1
Show InChI InChI=1S/C16H15Cl2NO/c17-14-7-6-11(8-15(14)18)16(12-9-19-10-12)20-13-4-2-1-3-5-13/h1-8,12,16,19H,9-10H2
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n/an/a 5.5n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepin...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM177688
PNG
(US9120771, KHG26776)
Show SMILES Cc1ccc(OC(C2CNC2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H17Cl2NO/c1-11-2-5-14(6-3-11)21-17(13-9-20-10-13)12-4-7-15(18)16(19)8-12/h2-8,13,17,20H,9-10H2,1H3
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n/an/a 5.67n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM177682
PNG
(US9120771, KHG26770)
Show SMILES Clc1ccc(cc1Cl)C(OCc1ccccc1)C1CNC1
Show InChI InChI=1S/C17H17Cl2NO/c18-15-7-6-13(8-16(15)19)17(14-9-20-10-14)21-11-12-4-2-1-3-5-12/h1-8,14,17,20H,9-11H2
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n/an/a 7.81n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM177678
PNG
(US9120771, KHG26766)
Show SMILES Clc1ccc(cc1)C(Oc1ccccc1)C1CNC1
Show InChI InChI=1S/C16H16ClNO/c17-14-8-6-12(7-9-14)16(13-10-18-11-13)19-15-4-2-1-3-5-15/h1-9,13,16,18H,10-11H2
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n/an/a 9.20n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM177686
PNG
(US9120771, KHG26774)
Show SMILES Cc1ccccc1OC(C1CNC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-11-4-2-3-5-16(11)21-17(13-9-20-10-13)12-6-7-14(18)15(19)8-12/h2-8,13,17,20H,9-10H2,1H3
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n/an/a 11.6n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM177687
PNG
(US9120771, KHG26775)
Show SMILES Cc1cccc(OC(C2CNC2)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-11-3-2-4-14(7-11)21-17(13-9-20-10-13)12-5-6-15(18)16(19)8-12/h2-8,13,17,20H,9-10H2,1H3
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n/an/a 19.8n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM177681
PNG
(US9120771, KHG26769)
Show SMILES Clc1ccc(cc1)C(OCc1ccccc1)C1CNC1
Show InChI InChI=1S/C17H18ClNO/c18-16-8-6-14(7-9-16)17(15-10-19-11-15)20-12-13-4-2-1-3-5-13/h1-9,15,17,19H,10-12H2
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n/an/a 21.6n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM177682
PNG
(US9120771, KHG26770)
Show SMILES Clc1ccc(cc1Cl)C(OCc1ccccc1)C1CNC1
Show InChI InChI=1S/C17H17Cl2NO/c18-15-7-6-13(8-16(15)19)17(14-9-20-10-14)21-11-12-4-2-1-3-5-12/h1-8,14,17,20H,9-11H2
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n/an/a 23.2n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine tran...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM177686
PNG
(US9120771, KHG26774)
Show SMILES Cc1ccccc1OC(C1CNC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-11-4-2-3-5-16(11)21-17(13-9-20-10-13)12-6-7-14(18)15(19)8-12/h2-8,13,17,20H,9-10H2,1H3
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n/an/a 25.8n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepin...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM177688
PNG
(US9120771, KHG26776)
Show SMILES Cc1ccc(OC(C2CNC2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H17Cl2NO/c1-11-2-5-14(6-3-11)21-17(13-9-20-10-13)12-4-7-15(18)16(19)8-12/h2-8,13,17,20H,9-10H2,1H3
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n/an/a 27.1n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepin...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM177687
PNG
(US9120771, KHG26775)
Show SMILES Cc1cccc(OC(C2CNC2)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-11-3-2-4-14(7-11)21-17(13-9-20-10-13)12-5-6-15(18)16(19)8-12/h2-8,13,17,20H,9-10H2,1H3
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n/an/a 28.4n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepin...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM177673
PNG
(US9120771, KHG26753)
Show SMILES COC(C1CNC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H14ClNO/c1-14-11(9-6-13-7-9)8-2-4-10(12)5-3-8/h2-5,9,11,13H,6-7H2,1H3
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n/an/a 42.9n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM177687
PNG
(US9120771, KHG26775)
Show SMILES Cc1cccc(OC(C2CNC2)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-11-3-2-4-14(7-11)21-17(13-9-20-10-13)12-5-6-15(18)16(19)8-12/h2-8,13,17,20H,9-10H2,1H3
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n/an/a 61.8n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine tran...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM177679
PNG
(US9120771, KHG26767)
Show SMILES Clc1ccc(cc1Cl)C(Oc1ccccc1)C1CNC1
Show InChI InChI=1S/C16H15Cl2NO/c17-14-7-6-11(8-15(14)18)16(12-9-19-10-12)20-13-4-2-1-3-5-13/h1-8,12,16,19H,9-10H2
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n/an/a 68.8n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine tran...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM177684
PNG
(US9120771, KHG26773)
Show SMILES Clc1ccc(cc1Cl)C(OC(=O)c1ccccc1)C1CNC1
Show InChI InChI=1S/C17H15Cl2NO2/c18-14-7-6-12(8-15(14)19)16(13-9-20-10-13)22-17(21)11-4-2-1-3-5-11/h1-8,13,16,20H,9-10H2
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n/an/a 69.9n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM177680
PNG
(US9120771, KHG26768)
Show SMILES C(OC(C1CNC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H19NO/c1-3-7-14(8-4-1)13-19-17(16-11-18-12-16)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2
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n/an/a 82.9n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM177678
PNG
(US9120771, KHG26766)
Show SMILES Clc1ccc(cc1)C(Oc1ccccc1)C1CNC1
Show InChI InChI=1S/C16H16ClNO/c17-14-8-6-12(7-9-14)16(13-10-18-11-13)19-15-4-2-1-3-5-15/h1-9,13,16,18H,10-11H2
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n/an/a 90.2n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepin...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM177682
PNG
(US9120771, KHG26770)
Show SMILES Clc1ccc(cc1Cl)C(OCc1ccccc1)C1CNC1
Show InChI InChI=1S/C17H17Cl2NO/c18-15-7-6-13(8-16(15)19)17(14-9-20-10-14)21-11-12-4-2-1-3-5-12/h1-8,14,17,20H,9-11H2
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n/an/a 93.1n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepin...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM177676
PNG
(US9120771, KHG26757)
Show SMILES CCOC(C1CNC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H15Cl2NO/c1-2-16-12(9-6-15-7-9)8-3-4-10(13)11(14)5-8/h3-5,9,12,15H,2,6-7H2,1H3
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n/an/a 97.5n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM177677
PNG
(US9120771, KHG26765)
Show SMILES COC(C1CNC1)c1ccccc1C
Show InChI InChI=1S/C12H17NO/c1-9-5-3-4-6-11(9)12(14-2)10-7-13-8-10/h3-6,10,12-13H,7-8H2,1-2H3
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n/an/a 112n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM177686
PNG
(US9120771, KHG26774)
Show SMILES Cc1ccccc1OC(C1CNC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-11-4-2-3-5-16(11)21-17(13-9-20-10-13)12-6-7-14(18)15(19)8-12/h2-8,13,17,20H,9-10H2,1H3
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n/an/a 119n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine tran...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM177674
PNG
(US9120771, KHG26754)
Show SMILES CCOC(C1CNC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H16ClNO/c1-2-15-12(10-7-14-8-10)9-3-5-11(13)6-4-9/h3-6,10,12,14H,2,7-8H2,1H3
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n/an/a 120n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM177676
PNG
(US9120771, KHG26757)
Show SMILES CCOC(C1CNC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H15Cl2NO/c1-2-16-12(9-6-15-7-9)8-3-4-10(13)11(14)5-8/h3-5,9,12,15H,2,6-7H2,1H3
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n/an/a 153n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepin...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM177688
PNG
(US9120771, KHG26776)
Show SMILES Cc1ccc(OC(C2CNC2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H17Cl2NO/c1-11-2-5-14(6-3-11)21-17(13-9-20-10-13)12-4-7-15(18)16(19)8-12/h2-8,13,17,20H,9-10H2,1H3
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n/an/a 168n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine tran...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM177684
PNG
(US9120771, KHG26773)
Show SMILES Clc1ccc(cc1Cl)C(OC(=O)c1ccccc1)C1CNC1
Show InChI InChI=1S/C17H15Cl2NO2/c18-14-7-6-12(8-15(14)19)16(13-9-20-10-13)22-17(21)11-4-2-1-3-5-11/h1-8,13,16,20H,9-10H2
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n/an/a 214n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepin...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM177678
PNG
(US9120771, KHG26766)
Show SMILES Clc1ccc(cc1)C(Oc1ccccc1)C1CNC1
Show InChI InChI=1S/C16H16ClNO/c17-14-8-6-12(7-9-14)16(13-10-18-11-13)19-15-4-2-1-3-5-15/h1-9,13,16,18H,10-11H2
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n/an/a 227n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine tran...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM177684
PNG
(US9120771, KHG26773)
Show SMILES Clc1ccc(cc1Cl)C(OC(=O)c1ccccc1)C1CNC1
Show InChI InChI=1S/C17H15Cl2NO2/c18-14-7-6-12(8-15(14)19)16(13-9-20-10-13)22-17(21)11-4-2-1-3-5-11/h1-8,13,16,20H,9-10H2
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n/an/a 241n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine tran...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM177675
PNG
(US9120771, KHG26756)
Show SMILES COC(C1CNC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H13Cl2NO/c1-15-11(8-5-14-6-8)7-2-3-9(12)10(13)4-7/h2-4,8,11,14H,5-6H2,1H3
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n/an/a 271n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM177681
PNG
(US9120771, KHG26769)
Show SMILES Clc1ccc(cc1)C(OCc1ccccc1)C1CNC1
Show InChI InChI=1S/C17H18ClNO/c18-16-8-6-14(7-9-16)17(15-10-19-11-15)20-12-13-4-2-1-3-5-13/h1-9,15,17,19H,10-12H2
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n/an/a 290n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine tran...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM177685
PNG
(US9120771, KHG26772)
Show SMILES Clc1ccc(cc1)C(OC(=O)c1ccccc1)C1CNC1
Show InChI InChI=1S/C17H16ClNO2/c18-15-8-6-12(7-9-15)16(14-10-19-11-14)21-17(20)13-4-2-1-3-5-13/h1-9,14,16,19H,10-11H2
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n/an/a 319n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine tran...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM177675
PNG
(US9120771, KHG26756)
Show SMILES COC(C1CNC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H13Cl2NO/c1-15-11(8-5-14-6-8)7-2-3-9(12)10(13)4-7/h2-4,8,11,14H,5-6H2,1H3
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n/an/a 339n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepin...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM177685
PNG
(US9120771, KHG26772)
Show SMILES Clc1ccc(cc1)C(OC(=O)c1ccccc1)C1CNC1
Show InChI InChI=1S/C17H16ClNO2/c18-15-8-6-12(7-9-15)16(14-10-19-11-14)21-17(20)13-4-2-1-3-5-13/h1-9,14,16,19H,10-11H2
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n/an/a 357n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM177683
PNG
(US9120771, KHG26771)
Show SMILES O=C(OC(C1CNC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H17NO2/c19-17(14-9-5-2-6-10-14)20-16(15-11-18-12-15)13-7-3-1-4-8-13/h1-10,15-16,18H,11-12H2
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n/an/a 402n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin ...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM177674
PNG
(US9120771, KHG26754)
Show SMILES CCOC(C1CNC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H16ClNO/c1-2-15-12(10-7-14-8-10)9-3-5-11(13)6-4-9/h3-6,10,12,14H,2,7-8H2,1H3
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n/an/a 666n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepin...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM177677
PNG
(US9120771, KHG26765)
Show SMILES COC(C1CNC1)c1ccccc1C
Show InChI InChI=1S/C12H17NO/c1-9-5-3-4-6-11(9)12(14-2)10-7-13-8-10/h3-6,10,12-13H,7-8H2,1-2H3
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n/an/a 857n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine tran...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM177680
PNG
(US9120771, KHG26768)
Show SMILES C(OC(C1CNC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H19NO/c1-3-7-14(8-4-1)13-19-17(16-11-18-12-16)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2
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n/an/a 985n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine tran...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM177681
PNG
(US9120771, KHG26769)
Show SMILES Clc1ccc(cc1)C(OCc1ccccc1)C1CNC1
Show InChI InChI=1S/C17H18ClNO/c18-16-8-6-14(7-9-16)17(15-10-19-11-15)20-12-13-4-2-1-3-5-13/h1-9,15,17,19H,10-12H2
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n/an/a 1.34E+3n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepin...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM177677
PNG
(US9120771, KHG26765)
Show SMILES COC(C1CNC1)c1ccccc1C
Show InChI InChI=1S/C12H17NO/c1-9-5-3-4-6-11(9)12(14-2)10-7-13-8-10/h3-6,10,12-13H,7-8H2,1-2H3
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n/an/a 1.66E+3n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepin...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM177683
PNG
(US9120771, KHG26771)
Show SMILES O=C(OC(C1CNC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H17NO2/c19-17(14-9-5-2-6-10-14)20-16(15-11-18-12-15)13-7-3-1-4-8-13/h1-10,15-16,18H,11-12H2
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n/an/a 1.68E+3n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine tran...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM177674
PNG
(US9120771, KHG26754)
Show SMILES CCOC(C1CNC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H16ClNO/c1-2-15-12(10-7-14-8-10)9-3-5-11(13)6-4-9/h3-6,10,12,14H,2,7-8H2,1H3
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n/an/a 1.95E+3n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine tran...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM177680
PNG
(US9120771, KHG26768)
Show SMILES C(OC(C1CNC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H19NO/c1-3-7-14(8-4-1)13-19-17(16-11-18-12-16)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2
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n/an/a 2.30E+3n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepin...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 2.54E+3n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepin...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM177685
PNG
(US9120771, KHG26772)
Show SMILES Clc1ccc(cc1)C(OC(=O)c1ccccc1)C1CNC1
Show InChI InChI=1S/C17H16ClNO2/c18-15-8-6-12(7-9-15)16(14-10-19-11-14)21-17(20)13-4-2-1-3-5-13/h1-9,14,16,19H,10-11H2
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n/an/a 3.48E+3n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepin...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a>1.00E+4n/an/an/an/a7.4n/a



KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

US Patent


Assay Description
DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine tran...

US Patent US9120771 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G6Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%