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Compile Data Set for Download or QSAR

Found 328 hits Enz. Inhib. hit(s) with all data for entry = 50035690   
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
D(1A) dopamine receptor


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D1


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50367554
PNG
(CHEMBL1743782)
Show SMILES Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12H2/t17-,18+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50367584
PNG
(CHEMBL1743810)
Show SMILES Nc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H20N2/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12,19H2/t17-,18+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021874
PNG
(6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]iso...)
Show SMILES C1C[C@H]2N(C1)C[C@@H](c1ccccc1)c1ccccc21
Show InChI InChI=1S/C18H19N/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17/h1-5,7-10,17-18H,6,11-13H2/t17-,18+/m0/s1
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0.370n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021874
PNG
(6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]iso...)
Show SMILES C1C[C@H]2N(C1)C[C@@H](c1ccccc1)c1ccccc21
Show InChI InChI=1S/C18H19N/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17/h1-5,7-10,17-18H,6,11-13H2/t17-,18+/m0/s1
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0.370n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50367582
PNG
(CHEMBL1743790)
Show SMILES Clc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-14-6-3-5-13(11-14)17-12-20-10-4-9-18(20)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1
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0.450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50367559
PNG
(CHEMBL1743798)
Show SMILES Fc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(F)ccc12 |r|
Show InChI InChI=1S/C18H17F2N/c19-13-5-3-12(4-6-13)17-11-21-9-1-2-18(21)16-10-14(20)7-8-15(16)17/h3-8,10,17-18H,1-2,9,11H2/t17-,18+/m0/s1
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0.550n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021887
PNG
(6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)
Show SMILES CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m0/s1
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0.620n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50367560
PNG
(CHEMBL1743786)
Show SMILES Clc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C18H18ClN/c19-14-8-9-15-16(11-14)18-7-4-10-20(18)12-17(15)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17-18H,4,7,10,12H2/t17-,18+/m0/s1
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0.620n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021896
PNG
(6-(3-Methoxy-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)
Show SMILES COc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NO/c1-21-15-7-4-6-14(12-15)18-13-20-11-5-10-19(20)17-9-3-2-8-16(17)18/h2-4,6-9,12,18-19H,5,10-11,13H2,1H3/t18-,19+/m0/s1
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0.650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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0.650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021900
PNG
(6-(3,4-Dichloro-phenyl)-1,2,3,5,6,10b-hexahydro-py...)
Show SMILES Clc1ccc(cc1Cl)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C18H17Cl2N/c19-16-8-7-12(10-17(16)20)15-11-21-9-3-6-18(21)14-5-2-1-4-13(14)15/h1-2,4-5,7-8,10,15,18H,3,6,9,11H2/t15-,18+/m0/s1
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0.680n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50367568
PNG
(CHEMBL1743785)
Show SMILES Oc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H19NO/c20-14-9-7-13(8-10-14)17-12-19-11-3-6-18(19)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18,20H,3,6,11-12H2/t17-,18+/m0/s1
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0.740n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.75n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50367558
PNG
(CHEMBL1743794)
Show SMILES COc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C19H21NO/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m0/s1
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0.790n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50367575
PNG
(CHEMBL1743819)
Show SMILES Oc1ccc(cc1O)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H19NO2/c20-17-8-7-12(10-18(17)21)15-11-19-9-3-6-16(19)14-5-2-1-4-13(14)15/h1-2,4-5,7-8,10,15-16,20-21H,3,6,9,11H2/t15-,16+/m0/s1
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0.810n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50367587
PNG
(CHEMBL1743793)
Show SMILES Oc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H19NO/c20-14-6-3-5-13(11-14)17-12-19-10-4-9-18(19)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18,20H,4,9-10,12H2/t17-,18+/m0/s1
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0.850n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50028094
PNG
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
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0.850n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50367584
PNG
(CHEMBL1743810)
Show SMILES Nc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H20N2/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12,19H2/t17-,18+/m0/s1
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0.860n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021897
PNG
(6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)
Show SMILES C#Cc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C20H19N/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2/t19-,20+/m0/s1
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0.940n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50021900
PNG
(6-(3,4-Dichloro-phenyl)-1,2,3,5,6,10b-hexahydro-py...)
Show SMILES Clc1ccc(cc1Cl)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C18H17Cl2N/c19-16-8-7-12(10-17(16)20)15-11-21-9-3-6-18(21)14-5-2-1-4-13(14)15/h1-2,4-5,7-8,10,15,18H,3,6,9,11H2/t15-,18+/m0/s1
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0.990n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021897
PNG
(6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)
Show SMILES C#Cc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C20H19N/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2/t19-,20+/m0/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor at 1.0 uM concentration


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50367563
PNG
(CHEMBL1743824)
Show SMILES C[C@@]1(CN2CCC[C@H]2c2ccccc12)c1ccccc1 |r|
Show InChI InChI=1S/C19H21N/c1-19(15-8-3-2-4-9-15)14-20-13-7-12-18(20)16-10-5-6-11-17(16)19/h2-6,8-11,18H,7,12-14H2,1H3/t18-,19+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021898
PNG
(6-(4-Fluoro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrol...)
Show SMILES Fc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C18H18FN/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12H2/t17-,18+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50367557
PNG
(CHEMBL1743767)
Show SMILES C1C[C@@H]2N(C1)C[C@@H](c1sccc21)c1ccccc1 |r|
Show InChI InChI=1S/C16H17NS/c1-2-5-12(6-3-1)14-11-17-9-4-7-15(17)13-8-10-18-16(13)14/h1-3,5-6,8,10,14-15H,4,7,9,11H2/t14-,15+/m1/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021912
PNG
(6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...)
Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50367561
PNG
(CHEMBL1743791)
Show SMILES Brc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18BrN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021912
PNG
(6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...)
Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50367554
PNG
(CHEMBL1743782)
Show SMILES Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12H2/t17-,18+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50367558
PNG
(CHEMBL1743794)
Show SMILES COc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C19H21NO/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50367554
PNG
(CHEMBL1743782)
Show SMILES Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12H2/t17-,18+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021900
PNG
(6-(3,4-Dichloro-phenyl)-1,2,3,5,6,10b-hexahydro-py...)
Show SMILES Clc1ccc(cc1Cl)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C18H17Cl2N/c19-16-8-7-12(10-17(16)20)15-11-21-9-3-6-18(21)14-5-2-1-4-13(14)15/h1-2,4-5,7-8,10,15,18H,3,6,9,11H2/t15-,18+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50367551
PNG
(CHEMBL1743803)
Show SMILES Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-17-9-4-3-7-14(17)16-12-20-11-5-10-18(20)15-8-2-1-6-13(15)16/h1-4,6-9,16,18H,5,10-12H2/t16-,18-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021923
PNG
(9-Methoxy-6-phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo...)
Show SMILES COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccc1
Show InChI InChI=1S/C19H21NO/c1-21-15-9-10-16-17(12-15)19-8-5-11-20(19)13-18(16)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18-19H,5,8,11,13H2,1H3/t18-,19+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50367588
PNG
(CHEMBL1743805)
Show SMILES C1C[C@@H]2N(C1)C[C@@H](c1c2[nH]c2ccccc12)c1ccccc1 |r|
Show InChI InChI=1S/C20H20N2/c1-2-7-14(8-3-1)16-13-22-12-6-11-18(22)20-19(16)15-9-4-5-10-17(15)21-20/h1-5,7-10,16,18,21H,6,11-13H2/t16-,18+/m1/s1
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50367582
PNG
(CHEMBL1743790)
Show SMILES Clc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H18ClN/c19-14-6-3-5-13(11-14)17-12-20-10-4-9-18(20)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50367560
PNG
(CHEMBL1743786)
Show SMILES Clc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C18H18ClN/c19-14-8-9-15-16(11-14)18-7-4-10-20(18)12-17(15)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17-18H,4,7,10,12H2/t17-,18+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50021897
PNG
(6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)
Show SMILES C#Cc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C20H19N/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2/t19-,20+/m0/s1
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50021923
PNG
(9-Methoxy-6-phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo...)
Show SMILES COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccc1
Show InChI InChI=1S/C19H21NO/c1-21-15-9-10-16-17(12-15)19-8-5-11-20(19)13-18(16)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18-19H,5,8,11,13H2,1H3/t18-,19+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50367588
PNG
(CHEMBL1743805)
Show SMILES C1C[C@@H]2N(C1)C[C@@H](c1c2[nH]c2ccccc12)c1ccccc1 |r|
Show InChI InChI=1S/C20H20N2/c1-2-7-14(8-3-1)16-13-22-12-6-11-18(22)20-19(16)15-9-4-5-10-17(15)21-20/h1-5,7-10,16,18,21H,6,11-13H2/t16-,18+/m1/s1
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021871
PNG
(9-Chloro-6-(4-chloro-phenyl)-1,2,3,5,6,10b-hexahyd...)
Show SMILES Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(Cl)ccc12
Show InChI InChI=1S/C18H17Cl2N/c19-13-5-3-12(4-6-13)17-11-21-9-1-2-18(21)16-10-14(20)7-8-15(16)17/h3-8,10,17-18H,1-2,9,11H2/t17-,18+/m0/s1
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021887
PNG
(6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...)
Show SMILES CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NS/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3/t18-,19+/m0/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021870
PNG
(6-Phenyl-9-trifluoromethyl-1,2,3,5,6,10b-hexahydro...)
Show SMILES FC(F)(F)c1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccc1
Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-8-9-15-16(11-14)18-7-4-10-23(18)12-17(15)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17-18H,4,7,10,12H2/t17-,18+/m0/s1
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3.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50021871
PNG
(9-Chloro-6-(4-chloro-phenyl)-1,2,3,5,6,10b-hexahyd...)
Show SMILES Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(Cl)ccc12
Show InChI InChI=1S/C18H17Cl2N/c19-13-5-3-12(4-6-13)17-11-21-9-1-2-18(21)16-10-14(20)7-8-15(16)17/h3-8,10,17-18H,1-2,9,11H2/t17-,18+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50367568
PNG
(CHEMBL1743785)
Show SMILES Oc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Show InChI InChI=1S/C18H19NO/c20-14-9-7-13(8-10-14)17-12-19-11-3-6-18(19)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18,20H,3,6,11-12H2/t17-,18+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021871
PNG
(9-Chloro-6-(4-chloro-phenyl)-1,2,3,5,6,10b-hexahyd...)
Show SMILES Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(Cl)ccc12
Show InChI InChI=1S/C18H17Cl2N/c19-13-5-3-12(4-6-13)17-11-21-9-1-2-18(21)16-10-14(20)7-8-15(16)17/h3-8,10,17-18H,1-2,9,11H2/t17-,18+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021890
PNG
(6-(2-Methoxy-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)
Show SMILES COc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NO/c1-21-19-11-5-4-9-16(19)17-13-20-12-6-10-18(20)15-8-3-2-7-14(15)17/h2-5,7-9,11,17-18H,6,10,12-13H2,1H3/t17-,18-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50021890
PNG
(6-(2-Methoxy-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)
Show SMILES COc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C19H21NO/c1-21-19-11-5-4-9-16(19)17-13-20-12-6-10-18(20)15-8-3-2-7-14(15)17/h2-5,7-9,11,17-18H,6,10,12-13H2,1H3/t17-,18-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes


J Med Chem 30: 1433-54 (1987)


BindingDB Entry DOI: 10.7270/Q2D50NJ3
More data for this
Ligand-Target Pair
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