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PubMed code 8709106

Compile data set for download or QSAR
Found 89 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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052170
PNG
((S)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-24-21(25-27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17?,18?,19?,20-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052176
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-i...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2O/c1-26-18-11-12-21(26)23(19(13-18)15-7-9-17(24)10-8-15)22-14-20(25-27-22)16-5-3-2-4-6-16/h2-10,14,18-19,21,23H,11-13H2,1H3/t18-,19?,21?,23+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052152
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C21H22ClNO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3/t16-,18?,19?,20+/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to inhibition uptake of [2H]-Dopamine


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052163
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-[...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-25-24-21(27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17-,18?,19?,20+/m1/s1
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19n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052153
PNG
((S)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-oxazo...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2O/c1-26-18-11-12-20(26)22(19(13-18)15-7-9-17(24)10-8-15)23-25-14-21(27-23)16-5-3-2-4-6-16/h2-10,14,18-20,22H,11-13H2,1H3/t18?,19?,20?,22-/m0/s1
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19n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052158
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(3-methyl-i...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(C)no1
Show InChI InChI=1S/C18H21ClN2O/c1-11-9-17(22-20-11)18-15(12-3-5-13(19)6-4-12)10-14-7-8-16(18)21(14)2/h3-6,9,14-16,18H,7-8,10H2,1-2H3/t14-,15?,16?,18+/m1/s1
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n/an/a 0.590n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052173
PNG
((2S,5R)-3-(4-Iodo-phenyl)-8-methyl-2-(3-methyl-iso...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(I)cc1)c1cc(C)no1
Show InChI InChI=1S/C18H21IN2O/c1-11-9-17(22-20-11)18-15(12-3-5-13(19)6-4-12)10-14-7-8-16(18)21(14)2/h3-6,9,14-16,18H,7-8,10H2,1-2H3/t14-,15?,16?,18+/m1/s1
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n/an/a 0.730n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052156
PNG
((2S,5R)-8-Methyl-2-(3-methyl-isoxazol-5-yl)-3-p-to...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1cc(C)no1
Show InChI InChI=1S/C19H24N2O/c1-12-4-6-14(7-5-12)16-11-15-8-9-17(21(15)3)19(16)18-10-13(2)20-22-18/h4-7,10,15-17,19H,8-9,11H2,1-3H3/t15-,16?,17?,19+/m1/s1
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n/an/a 0.930n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50035738
PNG
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052176
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-i...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2O/c1-26-18-11-12-21(26)23(19(13-18)15-7-9-17(24)10-8-15)22-14-20(25-27-22)16-5-3-2-4-6-16/h2-10,14,18-19,21,23H,11-13H2,1H3/t18-,19?,21?,23+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052167
PNG
(2-[(2S,5R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicy...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc2ccccc2s1
Show InChI InChI=1S/C21H21ClN2S/c1-24-15-10-11-18(24)20(16(12-15)13-6-8-14(22)9-7-13)21-23-17-4-2-3-5-19(17)25-21/h2-9,15-16,18,20H,10-12H2,1H3/t15-,16?,18?,20+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052174
PNG
((2S,5R)-8-Methyl-2-(3-phenyl-isoxazol-5-yl)-3-p-to...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O/c1-16-8-10-17(11-9-16)20-14-19-12-13-22(26(19)2)24(20)23-15-21(25-27-23)18-6-4-3-5-7-18/h3-11,15,19-20,22,24H,12-14H2,1-2H3/t19-,20?,22?,24+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052170
PNG
((S)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-24-21(25-27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17?,18?,19?,20-/m0/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052152
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C21H22ClNO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3/t16-,18?,19?,20+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052175
PNG
((2S,5R)-8-Methyl-2-(3-phenyl-[1,2,4]oxadiazol-5-yl...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-24-22(25-27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052164
PNG
((2S,5R)-3-(4-Iodo-phenyl)-8-methyl-2-(3-phenyl-iso...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(I)cc1)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C23H23IN2O/c1-26-18-11-12-21(26)23(19(13-18)15-7-9-17(24)10-8-15)22-14-20(25-27-22)16-5-3-2-4-6-16/h2-10,14,18-19,21,23H,11-13H2,1H3/t18-,19?,21?,23+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052157
PNG
((2S,5R)-8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-15-8-10-16(11-9-15)19-14-17-12-13-20(23(17)2)21(19)22(24)25-18-6-4-3-5-7-18/h3-11,17,19-21H,12-14H2,1-2H3/t17-,19?,20?,21+/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052154
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(3-methyl-[...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(C)no1
Show InChI InChI=1S/C17H20ClN3O/c1-10-19-17(22-20-10)16-14(11-3-5-12(18)6-4-11)9-13-7-8-15(16)21(13)2/h3-6,13-16H,7-9H2,1-2H3/t13-,14?,15?,16+/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052172
PNG
((2S,5R)-8-Methyl-2-(5-methyl-[1,3,4]oxadiazol-2-yl...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(C)o1
Show InChI InChI=1S/C18H23N3O/c1-11-4-6-13(7-5-11)15-10-14-8-9-16(21(14)3)17(15)18-20-19-12(2)22-18/h4-7,14-17H,8-10H2,1-3H3/t14-,15?,16?,17+/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052177
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-t...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2S/c1-26-18-11-12-20(26)22(19(13-18)15-7-9-17(24)10-8-15)23-25-14-21(27-23)16-5-3-2-4-6-16/h2-10,14,18-20,22H,11-13H2,1H3/t18-,19?,20?,22+/m1/s1
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n/an/a 5.70n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052163
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-[...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-25-24-21(27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17-,18?,19?,20+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052168
PNG
((S)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-[1,3,...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3S/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-25-24-21(27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17?,18?,19?,20-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052153
PNG
((S)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-oxazo...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2O/c1-26-18-11-12-20(26)22(19(13-18)15-7-9-17(24)10-8-15)23-25-14-21(27-23)16-5-3-2-4-6-16/h2-10,14,18-20,22H,11-13H2,1H3/t18?,19?,20?,22-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052169
PNG
((2S,5R)-8-Methyl-2-(5-phenyl-oxazol-2-yl)-3-p-toly...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O/c1-16-8-10-17(11-9-16)20-14-19-12-13-21(26(19)2)23(20)24-25-15-22(27-24)18-6-4-3-5-7-18/h3-11,15,19-21,23H,12-14H2,1-2H3/t19-,20?,21?,23+/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052173
PNG
((2S,5R)-3-(4-Iodo-phenyl)-8-methyl-2-(3-methyl-iso...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(I)cc1)c1cc(C)no1
Show InChI InChI=1S/C18H21IN2O/c1-11-9-17(22-20-11)18-15(12-3-5-13(19)6-4-12)10-14-7-8-16(18)21(14)2/h3-6,9,14-16,18H,7-8,10H2,1-2H3/t14-,15?,16?,18+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052178
PNG
((2S,5R)-8-Methyl-2-(5-phenyl-[1,3,4]thiadiazol-2-y...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C23H25N3S/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-25-24-22(27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50035738
PNG
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50035738
PNG
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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n/an/a 45n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052151
PNG
((2S,5R)-8-Methyl-2-(5-phenyl-[1,3,4]oxadiazol-2-yl...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-25-24-22(27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21+/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052175
PNG
((2S,5R)-8-Methyl-2-(3-phenyl-[1,2,4]oxadiazol-5-yl...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-24-22(25-27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052173
PNG
((2S,5R)-3-(4-Iodo-phenyl)-8-methyl-2-(3-methyl-iso...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(I)cc1)c1cc(C)no1
Show InChI InChI=1S/C18H21IN2O/c1-11-9-17(22-20-11)18-15(12-3-5-13(19)6-4-12)10-14-7-8-16(18)21(14)2/h3-6,9,14-16,18H,7-8,10H2,1-2H3/t14-,15?,16?,18+/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052164
PNG
((2S,5R)-3-(4-Iodo-phenyl)-8-methyl-2-(3-phenyl-iso...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(I)cc1)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C23H23IN2O/c1-26-18-11-12-21(26)23(19(13-18)15-7-9-17(24)10-8-15)22-14-20(25-27-22)16-5-3-2-4-6-16/h2-10,14,18-19,21,23H,11-13H2,1H3/t18-,19?,21?,23+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052158
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(3-methyl-i...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(C)no1
Show InChI InChI=1S/C18H21ClN2O/c1-11-9-17(22-20-11)18-15(12-3-5-13(19)6-4-12)10-14-7-8-16(18)21(14)2/h3-6,9,14-16,18H,7-8,10H2,1-2H3/t14-,15?,16?,18+/m1/s1
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n/an/a 181n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052162
PNG
(2-[(2R,5R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicy...)
Show SMILES CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(Cl)cc1)c1nc2ccccc2s1
Show InChI InChI=1S/C21H21ClN2S/c1-24-15-10-11-18(24)20(16(12-15)13-6-8-14(22)9-7-13)21-23-17-4-2-3-5-19(17)25-21/h2-9,15-16,18,20H,10-12H2,1H3/t15-,16?,18?,20-/m1/s1
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n/an/a 188n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052170
PNG
((S)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-24-21(25-27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17?,18?,19?,20-/m0/s1
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n/an/a 195n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50006781
PNG
((2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3....)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C
Show InChI InChI=1S/C17H23NO2/c1-11-4-6-12(7-5-11)14-10-13-8-9-15(18(13)2)16(14)17(19)20-3/h4-7,13-16H,8-10H2,1-3H3/t13-,14-,15?,16+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052170
PNG
((S)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-[1,2,...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-24-21(25-27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17?,18?,19?,20-/m0/s1
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n/an/a 245n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052172
PNG
((2S,5R)-8-Methyl-2-(5-methyl-[1,3,4]oxadiazol-2-yl...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(C)o1
Show InChI InChI=1S/C18H23N3O/c1-11-4-6-13(7-5-11)15-10-14-8-9-16(21(14)3)17(15)18-20-19-12(2)22-18/h4-7,14-17H,8-10H2,1-3H3/t14-,15?,16?,17+/m1/s1
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n/an/a 253n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052156
PNG
((2S,5R)-8-Methyl-2-(3-methyl-isoxazol-5-yl)-3-p-to...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1cc(C)no1
Show InChI InChI=1S/C19H24N2O/c1-12-4-6-14(7-5-12)16-11-15-8-9-17(21(15)3)19(16)18-10-13(2)20-22-18/h4-7,10,15-17,19H,8-9,11H2,1-3H3/t15-,16?,17?,19+/m1/s1
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n/an/a 254n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052154
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(3-methyl-[...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(C)no1
Show InChI InChI=1S/C17H20ClN3O/c1-10-19-17(22-20-10)16-14(11-3-5-12(18)6-4-11)9-13-7-8-15(16)21(13)2/h3-6,13-16H,7-9H2,1-2H3/t13-,14?,15?,16+/m1/s1
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n/an/a 363n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052174
PNG
((2S,5R)-8-Methyl-2-(3-phenyl-isoxazol-5-yl)-3-p-to...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O/c1-16-8-10-17(11-9-16)20-14-19-12-13-22(26(19)2)24(20)23-15-21(25-27-23)18-6-4-3-5-7-18/h3-11,15,19-20,22,24H,12-14H2,1-2H3/t19-,20?,22?,24+/m1/s1
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n/an/a 398n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052167
PNG
(2-[(2S,5R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicy...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc2ccccc2s1
Show InChI InChI=1S/C21H21ClN2S/c1-24-15-10-11-18(24)20(16(12-15)13-6-8-14(22)9-7-13)21-23-17-4-2-3-5-19(17)25-21/h2-9,15-16,18,20H,10-12H2,1H3/t15-,16?,18?,20+/m1/s1
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n/an/a 403n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052153
PNG
((S)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-oxazo...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2O/c1-26-18-11-12-20(26)22(19(13-18)15-7-9-17(24)10-8-15)23-25-14-21(27-23)16-5-3-2-4-6-16/h2-10,14,18-20,22H,11-13H2,1H3/t18?,19?,20?,22-/m0/s1
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n/an/a 496n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052176
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-i...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2O/c1-26-18-11-12-21(26)23(19(13-18)15-7-9-17(24)10-8-15)22-14-20(25-27-22)16-5-3-2-4-6-16/h2-10,14,18-19,21,23H,11-13H2,1H3/t18-,19?,21?,23+/m1/s1
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n/an/a 504n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052165
PNG
((2R,5R)-8-Methyl-2-(5-phenyl-[1,3,4]oxadiazol-2-yl...)
Show SMILES CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(C)cc1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-25-24-22(27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21-/m1/s1
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n/an/a 523n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052158
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(3-methyl-i...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(C)no1
Show InChI InChI=1S/C18H21ClN2O/c1-11-9-17(22-20-11)18-15(12-3-5-13(19)6-4-12)10-14-7-8-16(18)21(14)2/h3-6,9,14-16,18H,7-8,10H2,1-2H3/t14-,15?,16?,18+/m1/s1
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n/an/a 572n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052169
PNG
((2S,5R)-8-Methyl-2-(5-phenyl-oxazol-2-yl)-3-p-toly...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O/c1-16-8-10-17(11-9-16)20-14-19-12-13-21(26(19)2)23(20)24-25-15-22(27-24)18-6-4-3-5-7-18/h3-11,15,19-21,23H,12-14H2,1-2H3/t19-,20?,21?,23+/m1/s1
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n/an/a 677n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052164
PNG
((2S,5R)-3-(4-Iodo-phenyl)-8-methyl-2-(3-phenyl-iso...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(I)cc1)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C23H23IN2O/c1-26-18-11-12-21(26)23(19(13-18)15-7-9-17(24)10-8-15)22-14-20(25-27-22)16-5-3-2-4-6-16/h2-10,14,18-19,21,23H,11-13H2,1H3/t18-,19?,21?,23+/m1/s1
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n/an/a 868n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052171
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(2H-tetrazo...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnn[nH]1
Show InChI InChI=1S/C15H18ClN5/c1-21-11-6-7-13(21)14(15-17-19-20-18-15)12(8-11)9-2-4-10(16)5-3-9/h2-5,11-14H,6-8H2,1H3,(H,17,18,19,20)/t11-,12?,13?,14+/m1/s1
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n/an/a 911n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052163
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-[...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-25-24-21(27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17-,18?,19?,20+/m1/s1
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n/an/a 929n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052175
PNG
((2S,5R)-8-Methyl-2-(3-phenyl-[1,2,4]oxadiazol-5-yl...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-24-22(25-27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21+/m1/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052166
PNG
((2R,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-[...)
Show SMILES CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-25-24-21(27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17-,18?,19?,20-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052167
PNG
(2-[(2S,5R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicy...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc2ccccc2s1
Show InChI InChI=1S/C21H21ClN2S/c1-24-15-10-11-18(24)20(16(12-15)13-6-8-14(22)9-7-13)21-23-17-4-2-3-5-19(17)25-21/h2-9,15-16,18,20H,10-12H2,1H3/t15-,16?,18?,20+/m1/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052153
PNG
((S)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-oxazo...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2O/c1-26-18-11-12-20(26)22(19(13-18)15-7-9-17(24)10-8-15)23-25-14-21(27-23)16-5-3-2-4-6-16/h2-10,14,18-20,22H,11-13H2,1H3/t18?,19?,20?,22-/m0/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052151
PNG
((2S,5R)-8-Methyl-2-(5-phenyl-[1,3,4]oxadiazol-2-yl...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-25-24-22(27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21+/m1/s1
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n/an/a 1.31E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052160
PNG
((2S,5R)-8-Methyl-2-(2H-tetrazol-5-yl)-3-p-tolyl-8-...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnn[nH]1
Show InChI InChI=1S/C16H21N5/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(21(12)2)15(13)16-17-19-20-18-16/h3-6,12-15H,7-9H2,1-2H3,(H,17,18,19,20)/t12-,13?,14?,15+/m1/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052169
PNG
((2S,5R)-8-Methyl-2-(5-phenyl-oxazol-2-yl)-3-p-toly...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O/c1-16-8-10-17(11-9-16)20-14-19-12-13-21(26(19)2)23(20)24-25-15-22(27-24)18-6-4-3-5-7-18/h3-11,15,19-21,23H,12-14H2,1-2H3/t19-,20?,21?,23+/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052161
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C15H18ClNO2/c1-17-11-6-7-13(17)14(15(18)19)12(8-11)9-2-4-10(16)5-3-9/h2-5,11-14H,6-8H2,1H3,(H,18,19)/t11-,12?,13?,14+/m1/s1
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n/an/a 2.07E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052152
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C21H22ClNO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3/t16-,18?,19?,20+/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052176
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(3-phenyl-i...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2O/c1-26-18-11-12-21(26)23(19(13-18)15-7-9-17(24)10-8-15)22-14-20(25-27-22)16-5-3-2-4-6-16/h2-10,14,18-19,21,23H,11-13H2,1H3/t18-,19?,21?,23+/m1/s1
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n/an/a 2.42E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052154
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(3-methyl-[...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(C)no1
Show InChI InChI=1S/C17H20ClN3O/c1-10-19-17(22-20-10)16-14(11-3-5-12(18)6-4-11)9-13-7-8-15(16)21(13)2/h3-6,13-16H,7-9H2,1-2H3/t13-,14?,15?,16+/m1/s1
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n/an/a 2.58E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052152
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C21H22ClNO2/c1-23-16-11-12-19(23)20(21(24)25-17-5-3-2-4-6-17)18(13-16)14-7-9-15(22)10-8-14/h2-10,16,18-20H,11-13H2,1H3/t16-,18?,19?,20+/m1/s1
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n/an/a 2.95E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052163
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-[...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-25-24-21(27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17-,18?,19?,20+/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052156
PNG
((2S,5R)-8-Methyl-2-(3-methyl-isoxazol-5-yl)-3-p-to...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1cc(C)no1
Show InChI InChI=1S/C19H24N2O/c1-12-4-6-14(7-5-12)16-11-15-8-9-17(21(15)3)19(16)18-10-13(2)20-22-18/h4-7,10,15-17,19H,8-9,11H2,1-3H3/t15-,16?,17?,19+/m1/s1
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n/an/a 3.82E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052168
PNG
((S)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-[1,3,...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3S/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-25-24-21(27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17?,18?,19?,20-/m0/s1
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n/an/a 4.14E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052172
PNG
((2S,5R)-8-Methyl-2-(5-methyl-[1,3,4]oxadiazol-2-yl...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(C)o1
Show InChI InChI=1S/C18H23N3O/c1-11-4-6-13(7-5-11)15-10-14-8-9-16(21(14)3)17(15)18-20-19-12(2)22-18/h4-7,14-17H,8-10H2,1-3H3/t14-,15?,16?,17+/m1/s1
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n/an/a 4.89E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052174
PNG
((2S,5R)-8-Methyl-2-(3-phenyl-isoxazol-5-yl)-3-p-to...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O/c1-16-8-10-17(11-9-16)20-14-19-12-13-22(26(19)2)24(20)23-15-21(25-27-23)18-6-4-3-5-7-18/h3-11,15,19-20,22,24H,12-14H2,1-2H3/t19-,20?,22?,24+/m1/s1
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n/an/a 5.11E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052162
PNG
(2-[(2R,5R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicy...)
Show SMILES CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(Cl)cc1)c1nc2ccccc2s1
Show InChI InChI=1S/C21H21ClN2S/c1-24-15-10-11-18(24)20(16(12-15)13-6-8-14(22)9-7-13)21-23-17-4-2-3-5-19(17)25-21/h2-9,15-16,18,20H,10-12H2,1H3/t15-,16?,18?,20-/m1/s1
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n/an/a 5.21E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052171
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(2H-tetrazo...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnn[nH]1
Show InChI InChI=1S/C15H18ClN5/c1-21-11-6-7-13(21)14(15-17-19-20-18-15)12(8-11)9-2-4-10(16)5-3-9/h2-5,11-14H,6-8H2,1H3,(H,17,18,19,20)/t11-,12?,13?,14+/m1/s1
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n/an/a 5.46E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052157
PNG
((2S,5R)-8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-15-8-10-16(11-9-15)19-14-17-12-13-20(23(17)2)21(19)22(24)25-18-6-4-3-5-7-18/h3-11,17,19-21H,12-14H2,1-2H3/t17-,19?,20?,21+/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052177
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-t...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2S/c1-26-18-11-12-20(26)22(19(13-18)15-7-9-17(24)10-8-15)23-25-14-21(27-23)16-5-3-2-4-6-16/h2-10,14,18-20,22H,11-13H2,1H3/t18-,19?,20?,22+/m1/s1
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n/an/a 8.56E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052177
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-t...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN2S/c1-26-18-11-12-20(26)22(19(13-18)15-7-9-17(24)10-8-15)23-25-14-21(27-23)16-5-3-2-4-6-16/h2-10,14,18-20,22H,11-13H2,1H3/t18-,19?,20?,22+/m1/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052171
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(2H-tetrazo...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnn[nH]1
Show InChI InChI=1S/C15H18ClN5/c1-21-11-6-7-13(21)14(15-17-19-20-18-15)12(8-11)9-2-4-10(16)5-3-9/h2-5,11-14H,6-8H2,1H3,(H,17,18,19,20)/t11-,12?,13?,14+/m1/s1
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n/an/a 1.74E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052168
PNG
((S)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-[1,3,...)
Show SMILES CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3S/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-25-24-21(27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17?,18?,19?,20-/m0/s1
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n/an/a 1.84E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052166
PNG
((2R,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-[...)
Show SMILES CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-25-24-21(27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17-,18?,19?,20-/m1/s1
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n/an/a 1.92E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052151
PNG
((2S,5R)-8-Methyl-2-(5-phenyl-[1,3,4]oxadiazol-2-yl...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-25-24-22(27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21+/m1/s1
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n/an/a 2.33E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052178
PNG
((2S,5R)-8-Methyl-2-(5-phenyl-[1,3,4]thiadiazol-2-y...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C23H25N3S/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-25-24-22(27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21+/m1/s1
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n/an/a 2.43E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052157
PNG
((2S,5R)-8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-15-8-10-16(11-9-15)19-14-17-12-13-20(23(17)2)21(19)22(24)25-18-6-4-3-5-7-18/h3-11,17,19-21H,12-14H2,1-2H3/t17-,19?,20?,21+/m1/s1
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n/an/a 2.45E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052160
PNG
((2S,5R)-8-Methyl-2-(2H-tetrazol-5-yl)-3-p-tolyl-8-...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnn[nH]1
Show InChI InChI=1S/C16H21N5/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(21(12)2)15(13)16-17-19-20-18-16/h3-6,12-15H,7-9H2,1-2H3,(H,17,18,19,20)/t12-,13?,14?,15+/m1/s1
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n/an/a 3.25E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052160
PNG
((2S,5R)-8-Methyl-2-(2H-tetrazol-5-yl)-3-p-tolyl-8-...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnn[nH]1
Show InChI InChI=1S/C16H21N5/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(21(12)2)15(13)16-17-19-20-18-16/h3-6,12-15H,7-9H2,1-2H3,(H,17,18,19,20)/t12-,13?,14?,15+/m1/s1
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n/an/a 4.36E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052165
PNG
((2R,5R)-8-Methyl-2-(5-phenyl-[1,3,4]oxadiazol-2-yl...)
Show SMILES CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(C)cc1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-25-24-22(27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21-/m1/s1
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n/an/a 4.87E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052178
PNG
((2S,5R)-8-Methyl-2-(5-phenyl-[1,3,4]thiadiazol-2-y...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C23H25N3S/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-25-24-22(27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21+/m1/s1
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n/an/a 5.15E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052162
PNG
(2-[(2R,5R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicy...)
Show SMILES CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(Cl)cc1)c1nc2ccccc2s1
Show InChI InChI=1S/C21H21ClN2S/c1-24-15-10-11-18(24)20(16(12-15)13-6-8-14(22)9-7-13)21-23-17-4-2-3-5-19(17)25-21/h2-9,15-16,18,20H,10-12H2,1H3/t15-,16?,18?,20-/m1/s1
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n/an/a 5.95E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052161
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C15H18ClNO2/c1-17-11-6-7-13(17)14(15(18)19)12(8-11)9-2-4-10(16)5-3-9/h2-5,11-14H,6-8H2,1H3,(H,18,19)/t11-,12?,13?,14+/m1/s1
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n/an/a 5.95E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50052165
PNG
((2R,5R)-8-Methyl-2-(5-phenyl-[1,3,4]oxadiazol-2-yl...)
Show SMILES CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(C)cc1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-15-8-10-16(11-9-15)19-14-18-12-13-20(26(18)2)21(19)23-25-24-22(27-23)17-6-4-3-5-7-17/h3-11,18-21H,12-14H2,1-2H3/t18-,19?,20?,21-/m1/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052161
PNG
((2S,5R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo...)
Show SMILES CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C15H18ClNO2/c1-17-11-6-7-13(17)14(15(18)19)12(8-11)9-2-4-10(16)5-3-9/h2-5,11-14H,6-8H2,1H3,(H,18,19)/t11-,12?,13?,14+/m1/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50052166
PNG
((2R,5R)-3-(4-Chloro-phenyl)-8-methyl-2-(5-phenyl-[...)
Show SMILES CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C22H22ClN3O/c1-26-17-11-12-19(26)20(18(13-17)14-7-9-16(23)10-8-14)22-25-24-21(27-22)15-5-3-2-4-6-15/h2-10,17-20H,11-13H2,1H3/t17-,18?,19?,20-/m1/s1
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n/an/a 2.86E+5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat


J Med Chem 39: 2753-63 (1996)


Article DOI: 10.1021/jm960160e
BindingDB Entry DOI: 10.7270/Q2N87BDF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%