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PubMed code 10543888

Compile data set for download or QSAR
Found 60 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))		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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 12n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
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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 24n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in male Sprague-Dawley rats using [3H]paroxetine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50001200
PNG
(CHEMBL2112783)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1CCCc1ccccc1 |r|
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-/m0/s1
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 45n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in male Sprague-Dawley rats using [3H]paroxetine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50001202
PNG
(CHEMBL2112787)
Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1 |r|
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-/m0/s1
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 61n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50001203
PNG
(CHEMBL2112788)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3cc(ccc23)[N+]([O-])=O)C[C@H](C)N1 |r|
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-/m0/s1
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 109n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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 116n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity of Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50001200
PNG
(CHEMBL2112783)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1CCCc1ccccc1 |r|
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-/m0/s1
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 145n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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 172n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in male Sprague-Dawley rats using [3H]paroxetine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50001202
PNG
(CHEMBL2112787)
Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1 |r|
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-/m0/s1
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 183n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
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



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50001203
PNG
(CHEMBL2112788)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3cc(ccc23)[N+]([O-])=O)C[C@H](C)N1 |r|
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-/m0/s1
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 193n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50001202
PNG
(CHEMBL2112787)
Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1 |r|
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-/m0/s1
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 219n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in male Sprague-Dawley rats using [3H]paroxetine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
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



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50408286
PNG
(CHEMBL2112760)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1C |r|
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-/m0/s1
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 230n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50001200
PNG
(CHEMBL2112783)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1CCCc1ccccc1 |r|
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-/m0/s1
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 263n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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 302n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50001201
PNG
(CHEMBL2112784)
Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1 |r|
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-/m0/s1
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 351n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50408286
PNG
(CHEMBL2112760)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1C |r|
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-/m0/s1
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 373n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in male Sprague-Dawley rats using [3H]paroxetine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50408286
PNG
(CHEMBL2112760)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1C |r|
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-/m0/s1
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 436n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50001197
PNG
(CHEMBL2112789)
Show SMILES C[C@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc23)C[C@H](C)N1 |r|
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-/m0/s1
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 675n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50001201
PNG
(CHEMBL2112784)
Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1 |r|
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-/m0/s1
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 813n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
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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 825n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in male Sprague-Dawley rats using [3H]paroxetine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50001197
PNG
(CHEMBL2112789)
Show SMILES C[C@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc23)C[C@H](C)N1 |r|
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-/m0/s1
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 1.13E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in male Sprague-Dawley rats using [3H]paroxetine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50001203
PNG
(CHEMBL2112788)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3cc(ccc23)[N+]([O-])=O)C[C@H](C)N1 |r|
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-/m0/s1
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 1.17E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in male Sprague-Dawley rats using [3H]paroxetine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
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



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity nisoxatine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50001197
PNG
(CHEMBL2112789)
Show SMILES C[C@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc23)C[C@H](C)N1 |r|
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-/m0/s1
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 1.30E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity nisoxatine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin 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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 1.61E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in male Sprague-Dawley rats using [3H]paroxetine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50001198
PNG
(CHEMBL2112791)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3cc(N)ccc23)C[C@H](C)N1 |r|
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-/m0/s1
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 1.66E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50001199
PNG
(CHEMBL2112790)
Show SMILES C[C@H]1CN(CCCn2c3ccc(cc3c3cc(ccc23)[N+]([O-])=O)[N+]([O-])=O)C[C@H](C)N1 |r|
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-/m0/s1
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 1.85E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in male Sprague-Dawley rats using [3H]paroxetine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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 1.99E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity of Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50001198
PNG
(CHEMBL2112791)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3cc(N)ccc23)C[C@H](C)N1 |r|
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-/m0/s1
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 2.10E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in male Sprague-Dawley rats using [3H]paroxetine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
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



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity nisoxatine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50001198
PNG
(CHEMBL2112791)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3cc(N)ccc23)C[C@H](C)N1 |r|
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-/m0/s1
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 2.40E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50001200
PNG
(CHEMBL2112783)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1CCCc1ccccc1 |r|
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-/m0/s1
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 2.49E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity nisoxatine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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 3.30E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity nisoxatine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50001202
PNG
(CHEMBL2112787)
Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1 |r|
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-/m0/s1
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 3.64E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity nisoxatine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50001199
PNG
(CHEMBL2112790)
Show SMILES C[C@H]1CN(CCCn2c3ccc(cc3c3cc(ccc23)[N+]([O-])=O)[N+]([O-])=O)C[C@H](C)N1 |r|
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-/m0/s1
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 3.66E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity nisoxatine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50001197
PNG
(CHEMBL2112789)
Show SMILES C[C@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc23)C[C@H](C)N1 |r|
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-/m0/s1
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 3.89E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50082047
PNG
(9-[3-(4-Phenyl-piperazin-1-yl)-propyl]-9H-carbazol...)
Show SMILES C(CN1CCN(CC1)c1ccccc1)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C25H27N3/c1-2-9-21(10-3-1)27-19-17-26(18-20-27)15-8-16-28-24-13-6-4-11-22(24)23-12-5-7-14-25(23)28/h1-7,9-14H,8,15-20H2
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 4.12E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity nisoxatine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50001203
PNG
(CHEMBL2112788)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3cc(ccc23)[N+]([O-])=O)C[C@H](C)N1 |r|
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-/m0/s1
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 4.58E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity nisoxatine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50082047
PNG
(9-[3-(4-Phenyl-piperazin-1-yl)-propyl]-9H-carbazol...)
Show SMILES C(CN1CCN(CC1)c1ccccc1)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C25H27N3/c1-2-9-21(10-3-1)27-19-17-26(18-20-27)15-8-16-28-24-13-6-4-11-22(24)23-12-5-7-14-25(23)28/h1-7,9-14H,8,15-20H2
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 4.93E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50001201
PNG
(CHEMBL2112784)
Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1 |r|
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-/m0/s1
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 6.81E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity nisoxatine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		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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 8.54E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity nisoxatine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50408286
PNG
(CHEMBL2112760)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1C |r|
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-/m0/s1
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 9.37E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity nisoxatine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50001201
PNG
(CHEMBL2112784)
Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1 |r|
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-/m0/s1
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 1.31E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity against Serotonin transporter in male Sprague-Dawley rats using [3H]paroxetine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50001198
PNG
(CHEMBL2112791)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3cc(N)ccc23)C[C@H](C)N1 |r|
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-/m0/s1
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 1.39E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity nisoxatine ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
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



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50082052
PNG
(9-{3-[4-(2-Chloro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Clc1ccccc1N1CCN(CCCn2c3ccccc3c3ccccc23)CC1
Show InChI InChI=1S/C25H26ClN3/c26-22-10-3-6-13-25(22)28-18-16-27(17-19-28)14-7-15-29-23-11-4-1-8-20(23)21-9-2-5-12-24(21)29/h1-6,8-13H,7,14-19H2
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 1.13E+5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50001199
PNG
(CHEMBL2112790)
Show SMILES C[C@H]1CN(CCCn2c3ccc(cc3c3cc(ccc23)[N+]([O-])=O)[N+]([O-])=O)C[C@H](C)N1 |r|
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-/m0/s1
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 1.74E+5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
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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n/an/a 2.30n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of Dopamine uptake in male Sprague-Dawley rats using [3H]DA ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50001202
PNG
(CHEMBL2112787)
Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1 |r|
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-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of Dopamine uptake in male Sprague-Dawley rats using [3H]DA ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50001203
PNG
(CHEMBL2112788)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3cc(ccc23)[N+]([O-])=O)C[C@H](C)N1 |r|
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-/m0/s1
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n/an/a 111n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of Dopamine uptake in male Sprague-Dawley rats using [3H]DA ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
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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n/an/a 140n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of Dopamine uptake in male Sprague-Dawley rats using [3H]DA ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
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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n/an/a 205n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of Dopamine uptake in male Sprague-Dawley rats using [3H]DA ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50408286
PNG
(CHEMBL2112760)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1C |r|
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-/m0/s1
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n/an/a 472n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of Dopamine uptake in male Sprague-Dawley rats using [3H]DA ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50001200
PNG
(CHEMBL2112783)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1CCCc1ccccc1 |r|
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-/m0/s1
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n/an/a 639n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of Dopamine uptake in male Sprague-Dawley rats using [3H]DA ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50001201
PNG
(CHEMBL2112784)
Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1 |r|
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-/m0/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of Dopamine uptake in male Sprague-Dawley rats using [3H]DA ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50082047
PNG
(9-[3-(4-Phenyl-piperazin-1-yl)-propyl]-9H-carbazol...)
Show SMILES C(CN1CCN(CC1)c1ccccc1)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C25H27N3/c1-2-9-21(10-3-1)27-19-17-26(18-20-27)15-8-16-28-24-13-6-4-11-22(24)23-12-5-7-14-25(23)28/h1-7,9-14H,8,15-20H2
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n/an/a 1.82E+3n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of Dopamine uptake in male Sprague-Dawley rats using [3H]DA ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50082052
PNG
(9-{3-[4-(2-Chloro-phenyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Clc1ccccc1N1CCN(CCCn2c3ccccc3c3ccccc23)CC1
Show InChI InChI=1S/C25H26ClN3/c26-22-10-3-6-13-25(22)28-18-16-27(17-19-28)14-7-15-29-23-11-4-1-8-20(23)21-9-2-5-12-24(21)29/h1-6,8-13H,7,14-19H2
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n/an/a 2.77E+3n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of Dopamine uptake in male Sprague-Dawley rats using [3H]DA ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50001199
PNG
(CHEMBL2112790)
Show SMILES C[C@H]1CN(CCCn2c3ccc(cc3c3cc(ccc23)[N+]([O-])=O)[N+]([O-])=O)C[C@H](C)N1 |r|
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-/m0/s1
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n/an/a 3.67E+3n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibition of Dopamine uptake in male Sprague-Dawley rats using [3H]DA ligand

J Med Chem 42: 4446-55 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0VMV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%