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PubMed code 10821718

Compile data set for download or QSAR
Found 69 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))		BDBM50088336
PNG
(9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1
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 0.560n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity using [125I]RTI-55 as a radioligand in HEK-hSERT cells expressing human serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50088338
PNG
(9-Biphenyl-4-ylmethylene-7-aza-tricyclo[4.3.1.0*3,...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(cc1)-c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C24H25NO2/c1-27-24(26)23-21-14-20-11-12-22(23)25(20)15-19(21)13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,13,20-23H,11-12,14-15H2,1H3/b19-13+/t20-,21-,22?,23-/m1/s1
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 12n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE at Norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50088336
PNG
(9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1
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 20n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT at serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50088336
PNG
(9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1
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 20n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT at serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50088332
PNG
(9-Thiophen-2-ylmethylene-7-aza-tricyclo[4.3.1.0*3,...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1cccs1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C16H19NO2S/c1-19-16(18)15-13-8-11-4-5-14(15)17(11)9-10(13)7-12-3-2-6-20-12/h2-3,6-7,11,13-15H,4-5,8-9H2,1H3/b10-7+/t11-,13-,14?,15-/m1/s1
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 26n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE at Norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50088336
PNG
(9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1
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 30n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]5-HT uptake in HEK-hSERT cells expressing Human serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50088326
PNG
(9-(4-Methoxy-benzylidene)-7-aza-tricyclo[4.3.1.0*3...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(OC)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C19H23NO3/c1-22-15-6-3-12(4-7-15)9-13-11-20-14-5-8-17(20)18(16(13)10-14)19(21)23-2/h3-4,6-7,9,14,16-18H,5,8,10-11H2,1-2H3/b13-9+/t14-,16-,17?,18-/m1/s1
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 42n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity using [125I]RTI-55 as a radioligand in HEK-hSERT cells expressing human serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50088327
PNG
(9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1
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 53n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE at Norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50088326
PNG
(9-(4-Methoxy-benzylidene)-7-aza-tricyclo[4.3.1.0*3...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(OC)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C19H23NO3/c1-22-15-6-3-12(4-7-15)9-13-11-20-14-5-8-17(20)18(16(13)10-14)19(21)23-2/h3-4,6-7,9,14,16-18H,5,8,10-11H2,1-2H3/b13-9+/t14-,16-,17?,18-/m1/s1
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 53n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]5-HT uptake in HEK-hSERT cells expressing Human serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50088326
PNG
(9-(4-Methoxy-benzylidene)-7-aza-tricyclo[4.3.1.0*3...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(OC)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C19H23NO3/c1-22-15-6-3-12(4-7-15)9-13-11-20-14-5-8-17(20)18(16(13)10-14)19(21)23-2/h3-4,6-7,9,14,16-18H,5,8,10-11H2,1-2H3/b13-9+/t14-,16-,17?,18-/m1/s1
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 56n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT at serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50088327
PNG
(9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1
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 68n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]NE uptake in HEK-hNET cells expressing Human norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50088328
PNG
(CHEMBL65762 | [9-(3,4-Dichloro-benzylidene)-7-aza-...)
Show SMILES OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:5:6:3.2:9.10|
Show InChI InChI=1S/C17H19Cl2NO/c18-15-3-1-10(6-16(15)19)5-11-8-20-12-2-4-17(20)14(9-21)13(11)7-12/h1,3,5-6,12-14,17,21H,2,4,7-9H2/b11-5+/t12-,13-,14-,17?/m1/s1
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 96n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT at serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		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 |THB:2:4:20:6.7|
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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 108n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE at Norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50088339
PNG
(9-Furan-2-ylmethylene-7-aza-tricyclo[4.3.1.0*3,7*]...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccco1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C16H19NO3/c1-19-16(18)15-13-8-11-4-5-14(15)17(11)9-10(13)7-12-3-2-6-20-12/h2-3,6-7,11,13-15H,4-5,8-9H2,1H3/b10-7+/t11-,13-,14?,15-/m1/s1
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 111n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE at Norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50088329
PNG
(9-Naphthalen-1-ylmethylene-7-aza-tricyclo[4.3.1.0*...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1cccc2ccccc12 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C22H23NO2/c1-25-22(24)21-19-12-17-9-10-20(21)23(17)13-16(19)11-15-7-4-6-14-5-2-3-8-18(14)15/h2-8,11,17,19-21H,9-10,12-13H2,1H3/b16-11+/t17-,19-,20?,21-/m1/s1
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 121n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT at serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		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 |THB:2:4:20:6.7|
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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 155n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT at serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50088335
PNG
(9-Furan-3-ylmethylene-7-aza-tricyclo[4.3.1.0*3,7*]...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccoc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C16H19NO3/c1-19-16(18)15-13-7-12-2-3-14(15)17(12)8-11(13)6-10-4-5-20-9-10/h4-6,9,12-15H,2-3,7-8H2,1H3/b11-6+/t12-,13-,14?,15-/m1/s1
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 164n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE at Norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50088326
PNG
(9-(4-Methoxy-benzylidene)-7-aza-tricyclo[4.3.1.0*3...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(OC)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C19H23NO3/c1-22-15-6-3-12(4-7-15)9-13-11-20-14-5-8-17(20)18(16(13)10-14)19(21)23-2/h3-4,6-7,9,14,16-18H,5,8,10-11H2,1-2H3/b13-9+/t14-,16-,17?,18-/m1/s1
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 187n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE at Norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50088326
PNG
(9-(4-Methoxy-benzylidene)-7-aza-tricyclo[4.3.1.0*3...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(OC)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C19H23NO3/c1-22-15-6-3-12(4-7-15)9-13-11-20-14-5-8-17(20)18(16(13)10-14)19(21)23-2/h3-4,6-7,9,14,16-18H,5,8,10-11H2,1-2H3/b13-9+/t14-,16-,17?,18-/m1/s1
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 208n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]NE uptake in HEK-hNET cells expressing Human norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
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 |THB:2:4:20:6.7|
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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 258n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity to dopamine transporter using [125I]RTI-55 as a radioligand in HEK cells expressing human transporters.

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
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 |THB:2:4:20:6.7|
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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 264n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]NE uptake in HEK-hNET cells expressing Human norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50088332
PNG
(9-Thiophen-2-ylmethylene-7-aza-tricyclo[4.3.1.0*3,...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1cccs1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C16H19NO2S/c1-19-16(18)15-13-8-11-4-5-14(15)17(11)9-10(13)7-12-3-2-6-20-12/h2-3,6-7,11,13-15H,4-5,8-9H2,1H3/b10-7+/t11-,13-,14?,15-/m1/s1
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 268n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA at Dopamine transporter (DAT)

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
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 |THB:2:4:20:6.7|
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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 276n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]DA uptake in HEK-hDAT cells expressing Human dopamine Transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
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 |THB:2:4:20:6.7|
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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 301n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]5-HT uptake in HEK-hSERT cells expressing Human serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50088333
PNG
(9-(4-Fluoro-benzylidene)-7-aza-tricyclo[4.3.1.0*3,...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(F)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H20FNO2/c1-22-18(21)17-15-9-14-6-7-16(17)20(14)10-12(15)8-11-2-4-13(19)5-3-11/h2-5,8,14-17H,6-7,9-10H2,1H3/b12-8+/t14-,15-,16?,17-/m1/s1
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 335n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT at serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
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 |THB:2:4:20:6.7|
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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 343n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity using [125I]RTI-55 as a radioligand in HEK-hSERT cells expressing human serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		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 |THB:2:4:20:6.7|
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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 423n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA at Dopamine transporter (DAT)

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50088337
PNG
(Acetic acid 9-benzylidene-7-aza-tricyclo[4.3.1.0*3...)
Show SMILES CC(=O)OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:8:9:6.5:12.13|
Show InChI InChI=1S/C19H23NO2/c1-13(21)22-12-18-17-10-16-7-8-19(18)20(16)11-15(17)9-14-5-3-2-4-6-14/h2-6,9,16-19H,7-8,10-12H2,1H3/b15-9+/t16-,17-,18-,19?/m1/s1
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 450n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE at Norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50088338
PNG
(9-Biphenyl-4-ylmethylene-7-aza-tricyclo[4.3.1.0*3,...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(cc1)-c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C24H25NO2/c1-27-24(26)23-21-14-20-11-12-22(23)25(20)15-19(21)13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,13,20-23H,11-12,14-15H2,1H3/b19-13+/t20-,21-,22?,23-/m1/s1
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 477n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA at Dopamine transporter (DAT)

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50088327
PNG
(9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1
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 481n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA at Dopamine transporter (DAT)

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50088335
PNG
(9-Furan-3-ylmethylene-7-aza-tricyclo[4.3.1.0*3,7*]...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccoc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C16H19NO3/c1-19-16(18)15-13-7-12-2-3-14(15)17(12)8-11(13)6-10-4-5-20-9-10/h4-6,9,12-15H,2-3,7-8H2,1H3/b11-6+/t12-,13-,14?,15-/m1/s1
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 498n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT at serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50088333
PNG
(9-(4-Fluoro-benzylidene)-7-aza-tricyclo[4.3.1.0*3,...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(F)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H20FNO2/c1-22-18(21)17-15-9-14-6-7-16(17)20(14)10-12(15)8-11-2-4-13(19)5-3-11/h2-5,8,14-17H,6-7,9-10H2,1H3/b12-8+/t14-,15-,16?,17-/m1/s1
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 584n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE at Norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50088338
PNG
(9-Biphenyl-4-ylmethylene-7-aza-tricyclo[4.3.1.0*3,...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(cc1)-c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C24H25NO2/c1-27-24(26)23-21-14-20-11-12-22(23)25(20)15-19(21)13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,13,20-23H,11-12,14-15H2,1H3/b19-13+/t20-,21-,22?,23-/m1/s1
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 614n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT at serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50088336
PNG
(9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1
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 640n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]NE uptake in HEK-hNET cells expressing Human norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50088327
PNG
(9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1
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 910n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]DA uptake in HEK-hDAT cells expressing Human dopamine Transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50088336
PNG
(9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE at Norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50088336
PNG
(9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE at Norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50088337
PNG
(Acetic acid 9-benzylidene-7-aza-tricyclo[4.3.1.0*3...)
Show SMILES CC(=O)OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:8:9:6.5:12.13|
Show InChI InChI=1S/C19H23NO2/c1-13(21)22-12-18-17-10-16-7-8-19(18)20(16)11-15(17)9-14-5-3-2-4-6-14/h2-6,9,16-19H,7-8,10-12H2,1H3/b15-9+/t16-,17-,18-,19?/m1/s1
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 1.03E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA at Dopamine transporter (DAT)

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50088327
PNG
(9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1
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 1.04E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity using [125I]RTI-55 as a radioligand in HEK-hNET cells expressing human norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50088337
PNG
(Acetic acid 9-benzylidene-7-aza-tricyclo[4.3.1.0*3...)
Show SMILES CC(=O)OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:8:9:6.5:12.13|
Show InChI InChI=1S/C19H23NO2/c1-13(21)22-12-18-17-10-16-7-8-19(18)20(16)11-15(17)9-14-5-3-2-4-6-14/h2-6,9,16-19H,7-8,10-12H2,1H3/b15-9+/t16-,17-,18-,19?/m1/s1
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 1.05E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT at serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50088327
PNG
(9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1
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 1.14E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT at serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50088330
PNG
(9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C/c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9-/t14-,15-,16?,17-/m1/s1
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 1.53E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE at Norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50088327
PNG
(9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1
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 1.57E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity to dopamine transporter using [125I]RTI-55 as a radioligand in HEK cells expressing human transporters.

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
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 |THB:2:4:20:6.7|
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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 1.74E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity using [125I]RTI-55 as a radioligand in HEK-hNET cells expressing human norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50088335
PNG
(9-Furan-3-ylmethylene-7-aza-tricyclo[4.3.1.0*3,7*]...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccoc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C16H19NO3/c1-19-16(18)15-13-7-12-2-3-14(15)17(12)8-11(13)6-10-4-5-20-9-10/h4-6,9,12-15H,2-3,7-8H2,1H3/b11-6+/t12-,13-,14?,15-/m1/s1
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 1.88E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA at Dopamine transporter (DAT)

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50088336
PNG
(9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1
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 1.92E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA at Dopamine transporter (DAT)

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50088336
PNG
(9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1
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 1.92E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA at Dopamine transporter (DAT)

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50088339
PNG
(9-Furan-2-ylmethylene-7-aza-tricyclo[4.3.1.0*3,7*]...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccco1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C16H19NO3/c1-19-16(18)15-13-8-11-4-5-14(15)17(11)9-10(13)7-12-3-2-6-20-12/h2-3,6-7,11,13-15H,4-5,8-9H2,1H3/b10-7+/t11-,13-,14?,15-/m1/s1
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 2.02E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA at Dopamine transporter (DAT)

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50088332
PNG
(9-Thiophen-2-ylmethylene-7-aza-tricyclo[4.3.1.0*3,...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1cccs1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C16H19NO2S/c1-19-16(18)15-13-8-11-4-5-14(15)17(11)9-10(13)7-12-3-2-6-20-12/h2-3,6-7,11,13-15H,4-5,8-9H2,1H3/b10-7+/t11-,13-,14?,15-/m1/s1
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 2.05E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT at serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50088327
PNG
(9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1
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 2.33E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity using [125I]RTI-55 as a radioligand in HEK-hSERT cells expressing human serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50088327
PNG
(9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1
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 2.40E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]5-HT uptake in HEK-hSERT cells expressing Human serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50088334
PNG
((9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]dec-2-y...)
Show SMILES OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:5:6:3.2:9.10|
Show InChI InChI=1S/C17H21NO/c19-11-16-15-9-14-6-7-17(16)18(14)10-13(15)8-12-4-2-1-3-5-12/h1-5,8,14-17,19H,6-7,9-11H2/b13-8+/t14-,15-,16-,17?/m1/s1
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 2.83E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE at Norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50088326
PNG
(9-(4-Methoxy-benzylidene)-7-aza-tricyclo[4.3.1.0*3...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(OC)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C19H23NO3/c1-22-15-6-3-12(4-7-15)9-13-11-20-14-5-8-17(20)18(16(13)10-14)19(21)23-2/h3-4,6-7,9,14,16-18H,5,8,10-11H2,1-2H3/b13-9+/t14-,16-,17?,18-/m1/s1
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 3.13E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA at Dopamine transporter (DAT)

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50088336
PNG
(9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1
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 3.32E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity to dopamine transporter using [125I]RTI-55 as a radioligand in HEK cells expressing human transporters.

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50088326
PNG
(9-(4-Methoxy-benzylidene)-7-aza-tricyclo[4.3.1.0*3...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(OC)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C19H23NO3/c1-22-15-6-3-12(4-7-15)9-13-11-20-14-5-8-17(20)18(16(13)10-14)19(21)23-2/h3-4,6-7,9,14,16-18H,5,8,10-11H2,1-2H3/b13-9+/t14-,16-,17?,18-/m1/s1
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 3.60E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity to dopamine transporter using [125I]RTI-55 as a radioligand in HEK cells expressing human transporters.

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50088339
PNG
(9-Furan-2-ylmethylene-7-aza-tricyclo[4.3.1.0*3,7*]...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccco1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C16H19NO3/c1-19-16(18)15-13-8-11-4-5-14(15)17(11)9-10(13)7-12-3-2-6-20-12/h2-3,6-7,11,13-15H,4-5,8-9H2,1H3/b10-7+/t11-,13-,14?,15-/m1/s1
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 3.68E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT at serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50088326
PNG
(9-(4-Methoxy-benzylidene)-7-aza-tricyclo[4.3.1.0*3...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(OC)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C19H23NO3/c1-22-15-6-3-12(4-7-15)9-13-11-20-14-5-8-17(20)18(16(13)10-14)19(21)23-2/h3-4,6-7,9,14,16-18H,5,8,10-11H2,1-2H3/b13-9+/t14-,16-,17?,18-/m1/s1
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 3.70E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]DA uptake in HEK-hDAT cells expressing Human dopamine Transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50088336
PNG
(9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1
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 3.77E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity using [125I]RTI-55 as a radioligand in HEK-hNET cells expressing human norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50088330
PNG
(9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C/c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9-/t14-,15-,16?,17-/m1/s1
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 5.07E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA at Dopamine transporter (DAT)

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50088334
PNG
((9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]dec-2-y...)
Show SMILES OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:5:6:3.2:9.10|
Show InChI InChI=1S/C17H21NO/c19-11-16-15-9-14-6-7-17(16)18(14)10-13(15)8-12-4-2-1-3-5-12/h1-5,8,14-17,19H,6-7,9-11H2/b13-8+/t14-,15-,16-,17?/m1/s1
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 5.30E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT at serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50088329
PNG
(9-Naphthalen-1-ylmethylene-7-aza-tricyclo[4.3.1.0*...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1cccc2ccccc12 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C22H23NO2/c1-25-22(24)21-19-12-17-9-10-20(21)23(17)13-16(19)11-15-7-4-6-14-5-2-3-8-18(14)15/h2-8,11,17,19-21H,9-10,12-13H2,1H3/b16-11+/t17-,19-,20?,21-/m1/s1
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 5.37E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE at Norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50088326
PNG
(9-(4-Methoxy-benzylidene)-7-aza-tricyclo[4.3.1.0*3...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(OC)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C19H23NO3/c1-22-15-6-3-12(4-7-15)9-13-11-20-14-5-8-17(20)18(16(13)10-14)19(21)23-2/h3-4,6-7,9,14,16-18H,5,8,10-11H2,1-2H3/b13-9+/t14-,16-,17?,18-/m1/s1
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 5.44E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity using [125I]RTI-55 as a radioligand in HEK-hNET cells expressing human norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50088333
PNG
(9-(4-Fluoro-benzylidene)-7-aza-tricyclo[4.3.1.0*3,...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(F)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H20FNO2/c1-22-18(21)17-15-9-14-6-7-16(17)20(14)10-12(15)8-11-2-4-13(19)5-3-11/h2-5,8,14-17H,6-7,9-10H2,1H3/b12-8+/t14-,15-,16?,17-/m1/s1
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 6.62E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA at Dopamine transporter (DAT)

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50088330
PNG
(9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C/c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9-/t14-,15-,16?,17-/m1/s1
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 7.48E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]5-HT at serotonin transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50088334
PNG
((9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]dec-2-y...)
Show SMILES OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:5:6:3.2:9.10|
Show InChI InChI=1S/C17H21NO/c19-11-16-15-9-14-6-7-17(16)18(14)10-13(15)8-12-4-2-1-3-5-12/h1-5,8,14-17,19H,6-7,9-11H2/b13-8+/t14-,15-,16-,17?/m1/s1
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 9.69E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA at Dopamine transporter (DAT)

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50088329
PNG
(9-Naphthalen-1-ylmethylene-7-aza-tricyclo[4.3.1.0*...)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1cccc2ccccc12 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C22H23NO2/c1-25-22(24)21-19-12-17-9-10-20(21)23(17)13-16(19)11-15-7-4-6-14-5-2-3-8-18(14)15/h2-8,11,17,19-21H,9-10,12-13H2,1H3/b16-11+/t17-,19-,20?,21-/m1/s1
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 9.72E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA at Dopamine transporter (DAT)

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50088336
PNG
(9-(3,4-Dichloro-benzylidene)-7-aza-tricyclo[4.3.1....)
Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
Show InChI InChI=1S/C18H19Cl2NO2/c1-23-18(22)17-13-8-12-3-5-16(17)21(12)9-11(13)6-10-2-4-14(19)15(20)7-10/h2,4,6-7,12-13,16-17H,3,5,8-9H2,1H3/b11-6+/t12-,13-,16?,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]DA uptake in HEK-hDAT cells expressing Human dopamine Transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50088328
PNG
(CHEMBL65762 | [9-(3,4-Dichloro-benzylidene)-7-aza-...)
Show SMILES OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:5:6:3.2:9.10|
Show InChI InChI=1S/C17H19Cl2NO/c18-15-3-1-10(6-16(15)19)5-11-8-20-12-2-4-17(20)14(9-21)13(11)7-12/h1,3,5-6,12-14,17,21H,2,4,7-9H2/b11-5+/t12-,13-,14-,17?/m1/s1
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 1.05E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]-NE at Norepinephrine transporter

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50088328
PNG
(CHEMBL65762 | [9-(3,4-Dichloro-benzylidene)-7-aza-...)
Show SMILES OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:5:6:3.2:9.10|
Show InChI InChI=1S/C17H19Cl2NO/c18-15-3-1-10(6-16(15)19)5-11-8-20-12-2-4-17(20)14(9-21)13(11)7-12/h1,3,5-6,12-14,17,21H,2,4,7-9H2/b11-5+/t12-,13-,14-,17?/m1/s1
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 2.13E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of reuptake of [3H]DA at Dopamine transporter (DAT)

J Med Chem 43: 2064-71 (2000)


BindingDB Entry DOI: 10.7270/Q2GX4C8X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%