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PubMed code 12801223

Compile data set for download or QSAR
Found 71 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50129590
PNG
(3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...)
Show SMILES OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H33F2N3O/c29-24-7-11-26(12-8-24)33(27-13-9-25(30)10-14-27)17-4-16-31-19-21-32(22-20-31)18-15-28(34)23-5-2-1-3-6-23/h1-3,5-14,28,34H,4,15-22H2
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 8.5n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50107087
PNG
(CHEMBL313179 | {3-[(3R,5R)-3,5-Dimethyl-4-(3-pheny...)
Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCCc1ccccc1
Show InChI InChI=1S/C30H37F2N3/c1-24-22-33(23-25(2)34(24)20-6-10-26-8-4-3-5-9-26)19-7-21-35(29-15-11-27(31)12-16-29)30-17-13-28(32)14-18-30/h3-5,8-9,11-18,24-25H,6-7,10,19-23H2,1-2H3/t24-,25-/m1/s1
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 11.1n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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 11.9n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50129592
PNG
(CHEMBL87841 | N-(3-(4-benzylpiperazin-1-yl)propyl)...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H29F2N3/c27-23-7-11-25(12-8-23)31(26-13-9-24(28)10-14-26)16-4-15-29-17-19-30(20-18-29)21-22-5-2-1-3-6-22/h1-3,5-14H,4,15-21H2
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 13.1n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM73402
PNG
(1-Phenyl-cyclopentanecarboxylic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
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 15.5n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50129594
PNG
(4-fluoro-N-(4-fluorophenyl)-N-(3-(4-(3-phenylpropy...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H33F2N3/c29-25-9-13-27(14-10-25)33(28-15-11-26(30)12-16-28)19-5-18-32-22-20-31(21-23-32)17-4-8-24-6-2-1-3-7-24/h1-3,6-7,9-16H,4-5,8,17-23H2
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 18.1n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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 19.5n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50107087
PNG
(CHEMBL313179 | {3-[(3R,5R)-3,5-Dimethyl-4-(3-pheny...)
Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCCc1ccccc1
Show InChI InChI=1S/C30H37F2N3/c1-24-22-33(23-25(2)34(24)20-6-10-26-8-4-3-5-9-26)19-7-21-35(29-15-11-27(31)12-16-29)30-17-13-28(32)14-18-30/h3-5,8-9,11-18,24-25H,6-7,10,19-23H2,1-2H3/t24-,25-/m1/s1
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 22.8n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50129592
PNG
(CHEMBL87841 | N-(3-(4-benzylpiperazin-1-yl)propyl)...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H29F2N3/c27-23-7-11-25(12-8-23)31(26-13-9-24(28)10-14-26)16-4-15-29-17-19-30(20-18-29)21-22-5-2-1-3-6-22/h1-3,5-14H,4,15-21H2
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 27.6n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50107093
PNG
((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H35Cl2N3/c1-23-21-32(22-24(2)33(23)19-16-25-14-15-28(30)29(31)20-25)17-9-18-34(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-15,20,23-24H,9,16-19,21-22H2,1-2H3/t23-,24-/m1/s1
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 29.6n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50107092
PNG
((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H33Cl2F2N3/c1-21-19-34(20-22(2)35(21)17-14-23-4-13-28(30)29(31)18-23)15-3-16-36(26-9-5-24(32)6-10-26)27-11-7-25(33)8-12-27/h4-13,18,21-22H,3,14-17,19-20H2,1-2H3/t21-,22-/m1/s1
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 32.5n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50039197
PNG
(1-Phenyl-cyclohexanecarboxylic acid 2-morpholin-4-...)
Show SMILES O=C(OCCN1CCOCC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2
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 46.5n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50129596
PNG
(Bis-(4-fluoro-phenyl)-(3-piperazin-1-yl-propyl)-am...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H23F2N3/c20-16-2-6-18(7-3-16)24(19-8-4-17(21)5-9-19)13-1-12-23-14-10-22-11-15-23/h2-9,22H,1,10-15H2
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 60.8n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50107090
PNG
(CHEMBL316244 | {3-[(3R,5R)-3,5-Dimethyl-4-(3-pheny...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCCc1ccccc1
Show InChI InChI=1S/C30H39N3/c1-26-24-31(25-27(2)32(26)22-12-16-28-14-6-3-7-15-28)21-13-23-33(29-17-8-4-9-18-29)30-19-10-5-11-20-30/h3-11,14-15,17-20,26-27H,12-13,16,21-25H2,1-2H3/t26-,27-/m1/s1
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 61n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50129594
PNG
(4-fluoro-N-(4-fluorophenyl)-N-(3-(4-(3-phenylpropy...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H33F2N3/c29-25-9-13-27(14-10-25)33(28-15-11-26(30)12-16-28)19-5-18-32-22-20-31(21-23-32)17-4-8-24-6-2-1-3-7-24/h1-3,6-7,9-16H,4-5,8,17-23H2
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 66.2n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50107089
PNG
(CHEMBL433340 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1
Show InChI InChI=1S/C21H27F2N3/c1-16-14-25(15-17(2)24-16)12-3-13-26(20-8-4-18(22)5-9-20)21-10-6-19(23)7-11-21/h4-11,16-17,24H,3,12-15H2,1-2H3/t16-,17-/m1/s1
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 77.1n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50107090
PNG
(CHEMBL316244 | {3-[(3R,5R)-3,5-Dimethyl-4-(3-pheny...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCCc1ccccc1
Show InChI InChI=1S/C30H39N3/c1-26-24-31(25-27(2)32(26)22-12-16-28-14-6-3-7-15-28)21-13-23-33(29-17-8-4-9-18-29)30-19-10-5-11-20-30/h3-11,14-15,17-20,26-27H,12-13,16,21-25H2,1-2H3/t26-,27-/m1/s1
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 97.2n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50129593
PNG
(9-{3-[3,5-Dimethyl-4-(3-phenyl-propyl)-piperazin-1...)
Show SMILES C[C@@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1CCCc1ccccc1
Show InChI InChI=1S/C30H37N3/c1-24-22-31(23-25(2)32(24)20-10-14-26-12-4-3-5-13-26)19-11-21-33-29-17-8-6-15-27(29)28-16-7-9-18-30(28)33/h3-9,12-13,15-18,24-25H,10-11,14,19-23H2,1-2H3/t24-,25-/m1/s1
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 104n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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 105n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by displacement of [3H]citalopram in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50129597
PNG
(9-[3-(3,5-Dimethyl-piperazin-1-yl)-propyl]-3-nitro...)
Show SMILES C[C@@H]1CN(CCCn2c3ccccc3c3cc(ccc23)[N+]([O-])=O)C[C@@H](C)N1
Show InChI InChI=1S/C21H26N4O2/c1-15-13-23(14-16(2)22-15)10-5-11-24-20-7-4-3-6-18(20)19-12-17(25(26)27)8-9-21(19)24/h3-4,6-9,12,15-16,22H,5,10-11,13-14H2,1-2H3/t15-,16-/m1/s1
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 109n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50107089
PNG
(CHEMBL433340 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1
Show InChI InChI=1S/C21H27F2N3/c1-16-14-25(15-17(2)24-16)12-3-13-26(20-8-4-18(22)5-9-20)21-10-6-19(23)7-11-21/h4-11,16-17,24H,3,12-15H2,1-2H3/t16-,17-/m1/s1
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 124n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50129596
PNG
(Bis-(4-fluoro-phenyl)-(3-piperazin-1-yl-propyl)-am...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H23F2N3/c20-16-2-6-18(7-3-16)24(19-8-4-17(21)5-9-19)13-1-12-23-14-10-22-11-15-23/h2-9,22H,1,10-15H2
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 133n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by displacement of [3H]citalopram in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50107088
PNG
(CHEMBL314433 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1
Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m1/s1
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 138n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50107092
PNG
((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H33Cl2F2N3/c1-21-19-34(20-22(2)35(21)17-14-23-4-13-28(30)29(31)18-23)15-3-16-36(26-9-5-24(32)6-10-26)27-11-7-25(33)8-12-27/h4-13,18,21-22H,3,14-17,19-20H2,1-2H3/t21-,22-/m1/s1
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 180n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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 187n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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 224n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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 234n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50129593
PNG
(9-{3-[3,5-Dimethyl-4-(3-phenyl-propyl)-piperazin-1...)
Show SMILES C[C@@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1CCCc1ccccc1
Show InChI InChI=1S/C30H37N3/c1-24-22-31(23-25(2)32(24)20-10-14-26-12-4-3-5-13-26)19-11-21-33-29-17-8-6-15-27(29)28-16-7-9-18-30(28)33/h3-9,12-13,15-18,24-25H,10-11,14,19-23H2,1-2H3/t24-,25-/m1/s1
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 263n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50107093
PNG
((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H35Cl2N3/c1-23-21-32(22-24(2)33(23)19-16-25-14-15-28(30)29(31)20-25)17-9-18-34(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-15,20,23-24H,9,16-19,21-22H2,1-2H3/t23-,24-/m1/s1
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 272n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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 318n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50129590
PNG
(3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...)
Show SMILES OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H33F2N3O/c29-24-7-11-26(12-8-24)33(27-13-9-25(30)10-14-27)17-4-16-31-19-21-32(22-20-31)18-15-28(34)23-5-2-1-3-6-23/h1-3,5-14,28,34H,4,15-22H2
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 372n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50129596
PNG
(Bis-(4-fluoro-phenyl)-(3-piperazin-1-yl-propyl)-am...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H23F2N3/c20-16-2-6-18(7-3-16)24(19-8-4-17(21)5-9-19)13-1-12-23-14-10-22-11-15-23/h2-9,22H,1,10-15H2
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 396n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat brain norepinephrine transporter

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50129591
PNG
(9-[3-(3,4,5-Trimethyl-piperazin-1-yl)-propyl]-9H-c...)
Show SMILES C[C@@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1C
Show InChI InChI=1S/C22H29N3/c1-17-15-24(16-18(2)23(17)3)13-8-14-25-21-11-6-4-9-19(21)20-10-5-7-12-22(20)25/h4-7,9-12,17-18H,8,13-16H2,1-3H3/t17-,18-/m1/s1
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 436n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50129590
PNG
(3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...)
Show SMILES OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H33F2N3O/c29-24-7-11-26(12-8-24)33(27-13-9-25(30)10-14-27)17-4-16-31-19-21-32(22-20-31)18-15-28(34)23-5-2-1-3-6-23/h1-3,5-14,28,34H,4,15-22H2
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 532n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat brain norepinephrine transporter

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50129591
PNG
(9-[3-(3,4,5-Trimethyl-piperazin-1-yl)-propyl]-9H-c...)
Show SMILES C[C@@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1C
Show InChI InChI=1S/C22H29N3/c1-17-15-24(16-18(2)23(17)3)13-8-14-25-21-11-6-4-9-19(21)20-10-5-7-12-22(20)25/h4-7,9-12,17-18H,8,13-16H2,1-3H3/t17-,18-/m1/s1
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 552n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50129597
PNG
(9-[3-(3,5-Dimethyl-piperazin-1-yl)-propyl]-3-nitro...)
Show SMILES C[C@@H]1CN(CCCn2c3ccccc3c3cc(ccc23)[N+]([O-])=O)C[C@@H](C)N1
Show InChI InChI=1S/C21H26N4O2/c1-15-13-23(14-16(2)22-15)10-5-11-24-20-7-4-3-6-18(20)19-12-17(25(26)27)8-9-21(19)24/h3-4,6-9,12,15-16,22H,5,10-11,13-14H2,1-2H3/t15-,16-/m1/s1
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 596n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50129594
PNG
(4-fluoro-N-(4-fluorophenyl)-N-(3-(4-(3-phenylpropy...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H33F2N3/c29-25-9-13-27(14-10-25)33(28-15-11-26(30)12-16-28)19-5-18-32-22-20-31(21-23-32)17-4-8-24-6-2-1-3-7-24/h1-3,6-7,9-16H,4-5,8,17-23H2
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 682n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat brain norepinephrine transporter

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50129590
PNG
(3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...)
Show SMILES OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H33F2N3O/c29-24-7-11-26(12-8-24)33(27-13-9-25(30)10-14-27)17-4-16-31-19-21-32(22-20-31)18-15-28(34)23-5-2-1-3-6-23/h1-3,5-14,28,34H,4,15-22H2
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 803n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by displacement of [3H]citalopram in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50107088
PNG
(CHEMBL314433 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1
Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m1/s1
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 813n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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 908n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50107087
PNG
(CHEMBL313179 | {3-[(3R,5R)-3,5-Dimethyl-4-(3-pheny...)
Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCCc1ccccc1
Show InChI InChI=1S/C30H37F2N3/c1-24-22-33(23-25(2)34(24)20-6-10-26-8-4-3-5-9-26)19-7-21-35(29-15-11-27(31)12-16-29)30-17-13-28(32)14-18-30/h3-5,8-9,11-18,24-25H,6-7,10,19-23H2,1-2H3/t24-,25-/m1/s1
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 1.02E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat brain norepinephrine transporter

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50107092
PNG
((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H33Cl2F2N3/c1-21-19-34(20-22(2)35(21)17-14-23-4-13-28(30)29(31)18-23)15-3-16-36(26-9-5-24(32)6-10-26)27-11-7-25(33)8-12-27/h4-13,18,21-22H,3,14-17,19-20H2,1-2H3/t21-,22-/m1/s1
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 1.17E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against sSigma receptor type 2 was determined by the displacement of [3H]DTG/dextrallorphan radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50129594
PNG
(4-fluoro-N-(4-fluorophenyl)-N-(3-(4-(3-phenylpropy...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H33F2N3/c29-25-9-13-27(14-10-25)33(28-15-11-26(30)12-16-28)19-5-18-32-22-20-31(21-23-32)17-4-8-24-6-2-1-3-7-24/h1-3,6-7,9-16H,4-5,8,17-23H2
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 1.21E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by displacement of [3H]citalopram in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50107090
PNG
(CHEMBL316244 | {3-[(3R,5R)-3,5-Dimethyl-4-(3-pheny...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCCc1ccccc1
Show InChI InChI=1S/C30H39N3/c1-26-24-31(25-27(2)32(26)22-12-16-28-14-6-3-7-15-28)21-13-23-33(29-17-8-4-9-18-29)30-19-10-5-11-20-30/h3-11,14-15,17-20,26-27H,12-13,16,21-25H2,1-2H3/t26-,27-/m1/s1
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 1.22E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by displacement of [3H]citalopram in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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 1.27E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat brain norepinephrine transporter

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50129596
PNG
(Bis-(4-fluoro-phenyl)-(3-piperazin-1-yl-propyl)-am...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCNCC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H23F2N3/c20-16-2-6-18(7-3-16)24(19-8-4-17(21)5-9-19)13-1-12-23-14-10-22-11-15-23/h2-9,22H,1,10-15H2
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 1.39E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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 1.71E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by displacement of [3H]citalopram in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50107087
PNG
(CHEMBL313179 | {3-[(3R,5R)-3,5-Dimethyl-4-(3-pheny...)
Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCCc1ccccc1
Show InChI InChI=1S/C30H37F2N3/c1-24-22-33(23-25(2)34(24)20-6-10-26-8-4-3-5-9-26)19-7-21-35(29-15-11-27(31)12-16-29)30-17-13-28(32)14-18-30/h3-5,8-9,11-18,24-25H,6-7,10,19-23H2,1-2H3/t24-,25-/m1/s1
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 2.13E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by displacement of [3H]citalopram in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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 2.16E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat brain norepinephrine transporter

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50129598
PNG
(9-[3-(3,5-Dimethyl-piperazin-1-yl)-propyl]-9H-carb...)
Show SMILES C[C@@H]1CN(CCCn2c3ccccc3c3cc(N)ccc23)C[C@@H](C)N1
Show InChI InChI=1S/C21H28N4/c1-15-13-24(14-16(2)23-15)10-5-11-25-20-7-4-3-6-18(20)19-12-17(22)8-9-21(19)25/h3-4,6-9,12,15-16,23H,5,10-11,13-14,22H2,1-2H3/t15-,16-/m1/s1
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 2.40E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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 3.09E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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 3.27E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50107090
PNG
(CHEMBL316244 | {3-[(3R,5R)-3,5-Dimethyl-4-(3-pheny...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCCc1ccccc1
Show InChI InChI=1S/C30H39N3/c1-26-24-31(25-27(2)32(26)22-12-16-28-14-6-3-7-15-28)21-13-23-33(29-17-8-4-9-18-29)30-19-10-5-11-20-30/h3-11,14-15,17-20,26-27H,12-13,16,21-25H2,1-2H3/t26-,27-/m1/s1
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 3.64E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat brain norepinephrine transporter

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50129592
PNG
(CHEMBL87841 | N-(3-(4-benzylpiperazin-1-yl)propyl)...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H29F2N3/c27-23-7-11-25(12-8-23)31(26-13-9-24(28)10-14-26)16-4-15-29-17-19-30(20-18-29)21-22-5-2-1-3-6-22/h1-3,5-14H,4,15-21H2
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 3.73E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by displacement of [3H]citalopram in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50129599
PNG
(3,6-Dibromo-9-[3-(3,5-dimethyl-piperazin-1-yl)-pro...)
Show SMILES C[C@@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc23)C[C@@H](C)N1
Show InChI InChI=1S/C21H25Br2N3/c1-14-12-25(13-15(2)24-14)8-3-9-26-20-6-4-16(22)10-18(20)19-11-17(23)5-7-21(19)26/h4-7,10-11,14-15,24H,3,8-9,12-13H2,1-2H3/t14-,15-/m1/s1
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 3.89E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50107092
PNG
((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H33Cl2F2N3/c1-21-19-34(20-22(2)35(21)17-14-23-4-13-28(30)29(31)18-23)15-3-16-36(26-9-5-24(32)6-10-26)27-11-7-25(33)8-12-27/h4-13,18,21-22H,3,14-17,19-20H2,1-2H3/t21-,22-/m1/s1
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 4.35E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by displacement of [3H]citalopram in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50129599
PNG
(3,6-Dibromo-9-[3-(3,5-dimethyl-piperazin-1-yl)-pro...)
Show SMILES C[C@@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc23)C[C@@H](C)N1
Show InChI InChI=1S/C21H25Br2N3/c1-14-12-25(13-15(2)24-14)8-3-9-26-20-6-4-16(22)10-18(20)19-11-17(23)5-7-21(19)26/h4-7,10-11,14-15,24H,3,8-9,12-13H2,1-2H3/t14-,15-/m1/s1
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 4.42E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50107093
PNG
((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H35Cl2N3/c1-23-21-32(22-24(2)33(23)19-16-25-14-15-28(30)29(31)20-25)17-9-18-34(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-15,20,23-24H,9,16-19,21-22H2,1-2H3/t23-,24-/m1/s1
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 5.01E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by displacement of [3H]citalopram in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM73402
PNG
(1-Phenyl-cyclopentanecarboxylic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
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 5.18E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50129592
PNG
(CHEMBL87841 | N-(3-(4-benzylpiperazin-1-yl)propyl)...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H29F2N3/c27-23-7-11-25(12-8-23)31(26-13-9-24(28)10-14-26)16-4-15-29-17-19-30(20-18-29)21-22-5-2-1-3-6-22/h1-3,5-14H,4,15-21H2
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 5.21E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat brain norepinephrine transporter

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50039197
PNG
(1-Phenyl-cyclohexanecarboxylic acid 2-morpholin-4-...)
Show SMILES O=C(OCCN1CCOCC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2
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 5.34E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50129598
PNG
(9-[3-(3,5-Dimethyl-piperazin-1-yl)-propyl]-9H-carb...)
Show SMILES C[C@@H]1CN(CCCn2c3ccccc3c3cc(N)ccc23)C[C@@H](C)N1
Show InChI InChI=1S/C21H28N4/c1-15-13-24(14-16(2)23-15)10-5-11-25-20-7-4-3-6-18(20)19-12-17(22)8-9-21(19)25/h3-4,6-9,12,15-16,23H,5,10-11,13-14,22H2,1-2H3/t15-,16-/m1/s1
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 5.72E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50107088
PNG
(CHEMBL314433 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1
Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m1/s1
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 6.81E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat brain norepinephrine transporter

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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 8.83E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50107089
PNG
(CHEMBL433340 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1
Show InChI InChI=1S/C21H27F2N3/c1-16-14-25(15-17(2)24-16)12-3-13-26(20-8-4-18(22)5-9-20)21-10-6-19(23)7-11-21/h4-11,16-17,24H,3,12-15H2,1-2H3/t16-,17-/m1/s1
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 1.31E+4n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by displacement of [3H]citalopram in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50107089
PNG
(CHEMBL433340 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1
Show InChI InChI=1S/C21H27F2N3/c1-16-14-25(15-17(2)24-16)12-3-13-26(20-8-4-18(22)5-9-20)21-10-6-19(23)7-11-21/h4-11,16-17,24H,3,12-15H2,1-2H3/t16-,17-/m1/s1
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 1.69E+4n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat brain norepinephrine transporter

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50107093
PNG
((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H35Cl2N3/c1-23-21-32(22-24(2)33(23)19-16-25-14-15-28(30)29(31)20-25)17-9-18-34(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-15,20,23-24H,9,16-19,21-22H2,1-2H3/t23-,24-/m1/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat brain norepinephrine transporter

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50369470
PNG
(CHEMBL314726)
Show SMILES C[C@@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)cc(Br)c23)C[C@@H](C)N1
Show InChI InChI=1S/C21H24Br3N3/c1-13-11-26(12-14(2)25-13)6-3-7-27-20-5-4-15(22)8-17(20)18-9-16(23)10-19(24)21(18)27/h4-5,8-10,13-14,25H,3,6-7,11-12H2,1-2H3/t13-,14-/m1/s1
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 3.03E+4n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50107088
PNG
(CHEMBL314433 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1
Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m1/s1
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 7.09E+4n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by displacement of [3H]citalopram in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50107092
PNG
((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H33Cl2F2N3/c1-21-19-34(20-22(2)35(21)17-14-23-4-13-28(30)29(31)18-23)15-3-16-36(26-9-5-24(32)6-10-26)27-11-7-25(33)8-12-27/h4-13,18,21-22H,3,14-17,19-20H2,1-2H3/t21-,22-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat brain norepinephrine transporter

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50129600
PNG
(9-[3-(3,5-Dimethyl-piperazin-1-yl)-propyl]-3,6-din...)
Show SMILES C[C@@H]1CN(CCCn2c3ccc(cc3c3cc(ccc23)[N+]([O-])=O)[N+]([O-])=O)C[C@@H](C)N1
Show InChI InChI=1S/C21H25N5O4/c1-14-12-23(13-15(2)22-14)8-3-9-24-20-6-4-16(25(27)28)10-18(20)19-11-17(26(29)30)5-7-21(19)24/h4-7,10-11,14-15,22H,3,8-9,12-13H2,1-2H3/t14-,15-/m1/s1
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 1.74E+5n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain

J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%