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Compile Data Set for Download or QSAR

Found 174 hits with Last Name = 'eldefrawi' and Initial = 'me'   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50001028
PNG
((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1
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3.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain homogenates


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040191
PNG
(1-(1-Benzo[b]thiophen-2-yl-cyclopentyl)-pyrrolidin...)
Show SMILES C1CCN(C1)C1(CCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C17H21NS/c1-2-8-15-14(7-1)13-16(19-15)17(9-3-4-10-17)18-11-5-6-12-18/h1-2,7-8,13H,3-6,9-12H2
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125n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain homogenates


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040193
PNG
(1-(1-Benzo[b]thiophen-2-yl-cyclohexyl)-pyrrolidine...)
Show SMILES C1CCN(C1)C1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C18H23NS/c1-4-10-18(11-5-1,19-12-6-7-13-19)17-14-15-8-2-3-9-16(15)20-17/h2-3,8-9,14H,1,4-7,10-13H2
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168n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain homogenates


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040192
PNG
(1-(1-Benzo[b]thiophen-2-yl-cyclohexyl)-azepane | C...)
Show SMILES C1CCC(CC1)(N1CCCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C20H27NS/c1-2-9-15-21(14-8-1)20(12-6-3-7-13-20)19-16-17-10-4-5-11-18(17)22-19/h4-5,10-11,16H,1-3,6-9,12-15H2
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674n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain homogenates


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040197
PNG
(1-(1-Benzo[b]thiophen-2-yl-cycloheptyl)-pyrrolidin...)
Show SMILES C1CCN(C1)C1(CCCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C19H25NS/c1-2-6-12-19(11-5-1,20-13-7-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2
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720n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain homogenates


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040199
PNG
(1-(1-Benzo[b]thiophen-2-yl-cyclopentyl)-piperidine...)
Show SMILES C1CCC(C1)(N1CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C18H23NS/c1-6-12-19(13-7-1)18(10-4-5-11-18)17-14-15-8-2-3-9-16(15)20-17/h2-3,8-9,14H,1,4-7,10-13H2
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1.10E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain homogenates


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040195
PNG
(1-Benzo[b]thiophen-2-yl-cyclopentylamine | CHEMBL1...)
Show SMILES NC1(CCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C13H15NS/c14-13(7-3-4-8-13)12-9-10-5-1-2-6-11(10)15-12/h1-2,5-6,9H,3-4,7-8,14H2
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1.73E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain homogenates


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM83449
PNG
(1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
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1.77E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain homogenates


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040189
PNG
(1-(1-Benzo[b]thiophen-2-yl-cycloheptyl)-piperidine...)
Show SMILES C1CCN(CC1)C1(CCCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C20H27NS/c1-2-7-13-20(12-6-1,21-14-8-3-9-15-21)19-16-17-10-4-5-11-18(17)22-19/h4-5,10-11,16H,1-3,6-9,12-15H2
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2.23E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain homogenates


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040196
PNG
(1-(1-Benzo[b]thiophen-2-yl-cycloheptyl)-azepane | ...)
Show SMILES C1CCCN(CC1)C1(CCCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C21H29NS/c1-2-8-14-21(13-7-1,22-15-9-3-4-10-16-22)20-17-18-11-5-6-12-19(18)23-20/h5-6,11-12,17H,1-4,7-10,13-16H2
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2.71E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain homogenates


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040198
PNG
(1-(1-Benzo[b]thiophen-2-yl-cyclopentyl)-azepane | ...)
Show SMILES C1CCC(C1)(N1CCCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C19H25NS/c1-2-8-14-20(13-7-1)19(11-5-6-12-19)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2
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2.89E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain homogenates


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040190
PNG
(1-Benzo[b]thiophen-2-yl-cyclohexylamine | CHEMBL18...)
Show SMILES NC1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C14H17NS/c15-14(8-4-1-5-9-14)13-10-11-6-2-3-7-12(11)16-13/h2-3,6-7,10H,1,4-5,8-9,15H2
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3.17E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain homogenates


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50040194
PNG
(1-Benzo[b]thiophen-2-yl-cycloheptylamine | CHEMBL1...)
Show SMILES NC1(CCCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C15H19NS/c16-15(9-5-1-2-6-10-15)14-11-12-7-3-4-8-13(12)17-14/h3-4,7-8,11H,1-2,5-6,9-10,16H2
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9.17E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain homogenates


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50089157
PNG
((3R,5S,7aR)-3-Heptyl-5-methyl-hexahydro-pyrrolizin...)
Show SMILES CCCCCCC[C@@H]1CC[C@H]2CC[C@H](C)N12
Show InChI InChI=1S/C15H29N/c1-3-4-5-6-7-8-14-11-12-15-10-9-13(2)16(14)15/h13-15H,3-12H2,1-2H3/t13-,14+,15+/m0/s1
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5.00E+4n/an/an/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californica


Bioorg Med Chem Lett 10: 1293-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00221-3
BindingDB Entry DOI: 10.7270/Q2JH3KCV
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50089159
PNG
((3R,5S)-3,5-Dibutyl-octahydro-indolizine | CHEMBL2...)
Show SMILES CCCC[C@@H]1CCC2CCC[C@H](CCCC)N12
Show InChI InChI=1S/C16H31N/c1-3-5-8-14-10-7-11-16-13-12-15(17(14)16)9-6-4-2/h14-16H,3-13H2,1-2H3/t14-,15+,16?/m0/s1
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3.70E+5n/an/an/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californica


Bioorg Med Chem Lett 10: 1293-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00221-3
BindingDB Entry DOI: 10.7270/Q2JH3KCV
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50089158
PNG
((3R,5R)-3,5-Dibutyl-octahydro-indolizine | CHEMBL2...)
Show SMILES CCCC[C@@H]1CCC2CCC[C@@H](CCCC)N12
Show InChI InChI=1S/C16H31N/c1-3-5-8-14-10-7-11-16-13-12-15(17(14)16)9-6-4-2/h14-16H,3-13H2,1-2H3/t14-,15-,16?/m1/s1
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4.20E+5n/an/an/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californica


Bioorg Med Chem Lett 10: 1293-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00221-3
BindingDB Entry DOI: 10.7270/Q2JH3KCV
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50089162
PNG
(7-((3R,5S,7aR)-5-Propyl-hexahydro-pyrrolizin-3-yl)...)
Show SMILES CCC[C@H]1CC[C@@H]2CC[C@@H](CCCCCC(C)=O)N12
Show InChI InChI=1S/C17H31NO/c1-3-7-15-10-12-17-13-11-16(18(15)17)9-6-4-5-8-14(2)19/h15-17H,3-13H2,1-2H3/t15-,16+,17+/m0/s1
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8.30E+5n/an/an/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californica


Bioorg Med Chem Lett 10: 1293-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00221-3
BindingDB Entry DOI: 10.7270/Q2JH3KCV
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50089163
PNG
((R)-7-((3R,5S,7aR)-5-Propyl-hexahydro-pyrrolizin-3...)
Show SMILES CCC[C@H]1CC[C@@H]2CC[C@@H](CCCCC[C@@H](C)O)N12
Show InChI InChI=1S/C17H33NO/c1-3-7-15-10-12-17-13-11-16(18(15)17)9-6-4-5-8-14(2)19/h14-17,19H,3-13H2,1-2H3/t14-,15+,16-,17-/m1/s1
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3.10E+6n/an/an/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californica


Bioorg Med Chem Lett 10: 1293-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00221-3
BindingDB Entry DOI: 10.7270/Q2JH3KCV
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50089164
PNG
((S)-7-((3R,5S,7aR)-5-Propyl-hexahydro-pyrrolizin-3...)
Show SMILES CCC[C@H]1CC[C@@H]2CC[C@@H](CCCCC[C@H](C)O)N12
Show InChI InChI=1S/C17H33NO/c1-3-7-15-10-12-17-13-11-16(18(15)17)9-6-4-5-8-14(2)19/h14-17,19H,3-13H2,1-2H3/t14-,15-,16+,17+/m0/s1
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3.10E+6n/an/an/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californica


Bioorg Med Chem Lett 10: 1293-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00221-3
BindingDB Entry DOI: 10.7270/Q2JH3KCV
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50089160
PNG
((S)-7-((3R,5S,7aR)-5-Methyl-hexahydro-pyrrolizin-3...)
Show SMILES C[C@H](O)CCCCC[C@@H]1CC[C@H]2CC[C@H](C)N12
Show InChI InChI=1S/C15H29NO/c1-12-8-9-15-11-10-14(16(12)15)7-5-3-4-6-13(2)17/h12-15,17H,3-11H2,1-2H3/t12-,13-,14+,15+/m0/s1
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3.30E+6n/an/an/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californica


Bioorg Med Chem Lett 10: 1293-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00221-3
BindingDB Entry DOI: 10.7270/Q2JH3KCV
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50089161
PNG
((R)-7-((3R,5S,7aR)-5-Methyl-hexahydro-pyrrolizin-3...)
Show SMILES C[C@@H](O)CCCCC[C@@H]1CC[C@H]2CC[C@H](C)N12
Show InChI InChI=1S/C15H29NO/c1-12-8-9-15-11-10-14(16(12)15)7-5-3-4-6-13(2)17/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15+/m0/s1
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8.30E+6n/an/an/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californica


Bioorg Med Chem Lett 10: 1293-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00221-3
BindingDB Entry DOI: 10.7270/Q2JH3KCV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043303
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine |...)
Show SMILES CCCCNC1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C18H25NS/c1-2-3-13-19-18(11-7-4-8-12-18)17-14-15-9-5-6-10-16(15)20-17/h5-6,9-10,14,19H,2-4,7-8,11-13H2,1H3
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n/an/a 0.300n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for radioligand [3H]BTCP displacement from dopamine transporter in rat forebrain


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005534
PNG
(1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine ...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2
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n/an/a 0.660n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]BTCP (1-[1-(2-benxo[b]thienyl)cyclohexyl]piperidine) from rat forebrain dopamine transporter


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043292
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-cyclopropylme...)
Show SMILES C(NC1(CCCCC1)c1cc2ccccc2s1)C1CC1
Show InChI InChI=1S/C18H23NS/c1-4-10-18(11-5-1,19-13-14-8-9-14)17-12-15-6-2-3-7-16(15)20-17/h2-3,6-7,12,14,19H,1,4-5,8-11,13H2
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n/an/a 1n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for radioligand [3H]BTCP displacement from dopamine transporter in rat forebrain


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50455447
PNG
(CHEMBL2112946)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@H]1\C=C\c1ccccc1)N2C
Show InChI InChI=1S/C18H23NO2/c1-19-15-10-11-16(19)17(18(20)21-2)14(12-15)9-8-13-6-4-3-5-7-13/h3-9,14-17H,10-12H2,1-2H3/b9-8+/t14-,15-,16?,17+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition [3H]-cocaine binding to Cocaine receptor in rat striatal membranes.


J Med Chem 41: 864-76 (1998)


Article DOI: 10.1021/jm970025h
BindingDB Entry DOI: 10.7270/Q2GB24RP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50455445
PNG
(CHEMBL2112045)
Show SMILES COC(=O)[C@H]1C2CC[C@H](C[C@H]1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3/t16-,17+,18?,19-/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition [3H]-cocaine binding to Cocaine receptor in rat striatal membranes.


J Med Chem 41: 864-76 (1998)


Article DOI: 10.1021/jm970025h
BindingDB Entry DOI: 10.7270/Q2GB24RP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50455445
PNG
(CHEMBL2112045)
Show SMILES COC(=O)[C@H]1C2CC[C@H](C[C@H]1c1ccc3ccccc3c1)N2C
Show InChI InChI=1S/C20H23NO2/c1-21-16-9-10-18(21)19(20(22)23-2)17(12-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3/t16-,17+,18?,19-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition [3H]DA uptake in rat striatal synaptosomes.


J Med Chem 41: 864-76 (1998)


Article DOI: 10.1021/jm970025h
BindingDB Entry DOI: 10.7270/Q2GB24RP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043312
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-cyclobutylmet...)
Show SMILES C(NC1(CCCCC1)c1cc2ccccc2s1)C1CCC1
Show InChI InChI=1S/C19H25NS/c1-4-11-19(12-5-1,20-14-15-7-6-8-15)18-13-16-9-2-3-10-17(16)21-18/h2-3,9-10,13,15,20H,1,4-8,11-12,14H2
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n/an/a 4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for radioligand [3H]BTCP displacement from dopamine transporter in rat forebrain


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043295
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-propyl-amine ...)
Show SMILES CCCNC1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C17H23NS/c1-2-12-18-17(10-6-3-7-11-17)16-13-14-8-4-5-9-15(14)19-16/h4-5,8-9,13,18H,2-3,6-7,10-12H2,1H3
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n/an/a 4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for radioligand [3H]BTCP displacement from dopamine transporter in rat forebrain


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043292
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-cyclopropylme...)
Show SMILES C(NC1(CCCCC1)c1cc2ccccc2s1)C1CC1
Show InChI InChI=1S/C18H23NS/c1-4-10-18(11-5-1,19-13-14-8-9-14)17-12-15-6-2-3-7-16(15)20-17/h2-3,6-7,12,14,19H,1,4-5,8-11,13H2
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n/an/a 4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [3H]dopamine (DA) uptake in rat synaptosomes


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005534
PNG
(1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine ...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2
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n/an/a 5n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for radioligand [3H]BTCP displacement from dopamine transporter in rat forebrain


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043295
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-propyl-amine ...)
Show SMILES CCCNC1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C17H23NS/c1-2-12-18-17(10-6-3-7-11-17)16-13-14-8-4-5-9-15(14)19-16/h4-5,8-9,13,18H,2-3,6-7,10-12H2,1H3
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n/an/a 5n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [3H]dopamine (DA) uptake in rat synaptosomes


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50455447
PNG
(CHEMBL2112946)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@H]1\C=C\c1ccccc1)N2C
Show InChI InChI=1S/C18H23NO2/c1-19-15-10-11-16(19)17(18(20)21-2)14(12-15)9-8-13-6-4-3-5-7-13/h3-9,14-17H,10-12H2,1-2H3/b9-8+/t14-,15-,16?,17+/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition [3H]DA uptake in rat striatal synaptosomes.


J Med Chem 41: 864-76 (1998)


Article DOI: 10.1021/jm970025h
BindingDB Entry DOI: 10.7270/Q2GB24RP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50040193
PNG
(1-(1-Benzo[b]thiophen-2-yl-cyclohexyl)-pyrrolidine...)
Show SMILES C1CCN(C1)C1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C18H23NS/c1-4-10-18(11-5-1,19-12-6-7-13-19)17-14-15-8-2-3-9-16(15)20-17/h2-3,8-9,14H,1,4-7,10-13H2
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n/an/a 6.70n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]BTCP (1-[1-(2-benxo[b]thienyl)cyclohexyl]piperidine) from rat forebrain dopamine transporter


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043312
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-cyclobutylmet...)
Show SMILES C(NC1(CCCCC1)c1cc2ccccc2s1)C1CCC1
Show InChI InChI=1S/C19H25NS/c1-4-11-19(12-5-1,20-14-15-7-6-8-15)18-13-16-9-2-3-10-17(16)21-18/h2-3,9-10,13,15,20H,1,4-8,11-12,14H2
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n/an/a 7n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [3H]dopamine (DA) uptake in rat synaptosomes


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043303
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine |...)
Show SMILES CCCCNC1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C18H25NS/c1-2-3-13-19-18(11-7-4-8-12-18)17-14-15-9-5-6-10-16(15)20-17/h5-6,9-10,14,19H,2-4,7-8,11-13H2,1H3
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n/an/a 7n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [3H]dopamine (DA) uptake in rat synaptosomes


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043316
PNG
(Allyl-(1-benzo[b]thiophen-2-yl-cyclohexyl)-amine |...)
Show SMILES C=CCNC1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C17H21NS/c1-2-12-18-17(10-6-3-7-11-17)16-13-14-8-4-5-9-15(14)19-16/h2,4-5,8-9,13,18H,1,3,6-7,10-12H2
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n/an/a 7n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for radioligand [3H]BTCP displacement from dopamine transporter in rat forebrain


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043317
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-(3-methyl-but...)
Show SMILES CC(C)=CCNC1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C19H25NS/c1-15(2)10-13-20-19(11-6-3-7-12-19)18-14-16-8-4-5-9-17(16)21-18/h4-5,8-10,14,20H,3,6-7,11-13H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for radioligand [3H]BTCP displacement from dopamine transporter in rat forebrain


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50455444
PNG
(CHEMBL2112945)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@H]1CCc1ccccc1)N2C
Show InChI InChI=1S/C18H25NO2/c1-19-15-10-11-16(19)17(18(20)21-2)14(12-15)9-8-13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3/t14-,15-,16?,17+/m1/s1
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n/an/a 9.90n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition [3H]-cocaine binding to Cocaine receptor in rat striatal membranes.


J Med Chem 41: 864-76 (1998)


Article DOI: 10.1021/jm970025h
BindingDB Entry DOI: 10.7270/Q2GB24RP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50455443
PNG
(CHEMBL2112944)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@H]1c1ccc(cc1)-c1ccccc1)N2C
Show InChI InChI=1S/C22H25NO2/c1-23-18-12-13-20(23)21(22(24)25-2)19(14-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18-21H,12-14H2,1-2H3/t18-,19+,20?,21+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition [3H]-cocaine binding to Cocaine receptor in rat striatal membranes.


J Med Chem 41: 864-76 (1998)


Article DOI: 10.1021/jm970025h
BindingDB Entry DOI: 10.7270/Q2GB24RP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043316
PNG
(Allyl-(1-benzo[b]thiophen-2-yl-cyclohexyl)-amine |...)
Show SMILES C=CCNC1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C17H21NS/c1-2-12-18-17(10-6-3-7-11-17)16-13-14-8-4-5-9-15(14)19-16/h2,4-5,8-9,13,18H,1,3,6-7,10-12H2
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n/an/a 11n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [3H]dopamine (DA) uptake in rat synaptosomes


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005534
PNG
(1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine ...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2
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n/an/a 11n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [3H]dopamine (DA) uptake in rat synaptosomes


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50005534
PNG
(1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)piperidine ...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C19H25NS/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18/h3-4,9-10,15H,1-2,5-8,11-14H2
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n/an/a 11n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [3H]dopamine (DA) uptake in rat synaptosomes


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043309
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-diethyl-amine...)
Show SMILES CCN(CC)C1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C18H25NS/c1-3-19(4-2)18(12-8-5-9-13-18)17-14-15-10-6-7-11-16(15)20-17/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for radioligand [3H]BTCP displacement from dopamine transporter in rat forebrain


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043309
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-diethyl-amine...)
Show SMILES CCN(CC)C1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C18H25NS/c1-3-19(4-2)18(12-8-5-9-13-18)17-14-15-10-6-7-11-16(15)20-17/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [3H]dopamine (DA) uptake in rat synaptosomes


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50040193
PNG
(1-(1-Benzo[b]thiophen-2-yl-cyclohexyl)-pyrrolidine...)
Show SMILES C1CCN(C1)C1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C18H23NS/c1-4-10-18(11-5-1,19-12-6-7-13-19)17-14-15-8-2-3-9-16(15)20-17/h2-3,8-9,14H,1,4-7,10-13H2
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n/an/a 12n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]cocaine binding to rat forebrain dopamine receptor


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50040191
PNG
(1-(1-Benzo[b]thiophen-2-yl-cyclopentyl)-pyrrolidin...)
Show SMILES C1CCN(C1)C1(CCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C17H21NS/c1-2-8-15-14(7-1)13-16(19-15)17(9-3-4-10-17)18-11-5-6-12-18/h1-2,7-8,13H,3-6,9-12H2
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n/an/a 13n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]BTCP (1-[1-(2-benxo[b]thienyl)cyclohexyl]piperidine) from rat forebrain dopamine transporter


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043317
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-(3-methyl-but...)
Show SMILES CC(C)=CCNC1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C19H25NS/c1-15(2)10-13-20-19(11-6-3-7-12-19)18-14-16-8-4-5-9-17(16)21-18/h4-5,8-10,14,20H,3,6-7,11-13H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [3H]dopamine (DA) uptake in rat synaptosomes


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043317
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-(3-methyl-but...)
Show SMILES CC(C)=CCNC1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C19H25NS/c1-15(2)10-13-20-19(11-6-3-7-12-19)18-14-16-8-4-5-9-17(16)21-18/h4-5,8-10,14,20H,3,6-7,11-13H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [3H]dopamine (DA) uptake in rat synaptosomes


J Med Chem 36: 4075-81 (1994)


Article DOI: 10.1021/jm00077a011
BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50040199
PNG
(1-(1-Benzo[b]thiophen-2-yl-cyclopentyl)-piperidine...)
Show SMILES C1CCC(C1)(N1CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C18H23NS/c1-6-12-19(13-7-1)18(10-4-5-11-18)17-14-15-8-2-3-9-16(15)20-17/h2-3,8-9,14H,1,4-7,10-13H2
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n/an/a 15n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]BTCP (1-[1-(2-benxo[b]thienyl)cyclohexyl]piperidine) from rat forebrain dopamine transporter


J Med Chem 36: 1188-93 (1993)


Article DOI: 10.1021/jm00061a009
BindingDB Entry DOI: 10.7270/Q23F4Q98
More data for this
Ligand-Target Pair
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