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PubMed code 15027858

Compile data set for download or QSAR
Found 35 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))		BDBM50142992
PNG
((S)-2-Benzhydryloxymethyl-8-methyl-3-p-tolyl-8-aza...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|
Show InChI InChI=1S/C29H33NO/c1-21-13-15-22(16-14-21)26-19-25-17-18-28(30(25)2)27(26)20-31-29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,25-29H,17-20H2,1-2H3/t25?,26?,27-,28?/m0/s1
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 34n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter by using [3H]WIN-35428 as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50143005
PNG
(2-{3-[(4-Chloro-phenyl)-phenyl-methoxy]-propyl}-8-...)
Show SMILES CN1C2CCC1C(CCCOC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3|
Show InChI InChI=1S/C30H34ClNO/c1-32-26-18-19-29(32)27(28(21-26)22-9-4-2-5-10-22)13-8-20-33-30(23-11-6-3-7-12-23)24-14-16-25(31)17-15-24/h2-7,9-12,14-17,26-30H,8,13,18-21H2,1H3
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 45n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by using [3H]-citalopram as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50143007
PNG
((S)-2-Benzhydryloxymethyl-3-(4-fluoro-phenyl)-8-me...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(F)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|
Show InChI InChI=1S/C28H30FNO/c1-30-24-16-17-27(30)26(25(18-24)20-12-14-23(29)15-13-20)19-31-28(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,24-28H,16-19H2,1H3/t24?,25?,26-,27?/m0/s1
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 49n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter by using [3H]WIN-35428 as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50142996
PNG
((S)-2-Benzhydryloxymethyl-3-(4-chloro-phenyl)-8-me...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|
Show InChI InChI=1S/C28H30ClNO/c1-30-24-16-17-27(30)26(25(18-24)20-12-14-23(29)15-13-20)19-31-28(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,24-28H,16-19H2,1H3/t24?,25?,26-,27?/m0/s1
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 52n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter by using [3H]WIN-35428 as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50143008
PNG
(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-propyl}-8-met...)
Show SMILES CN1C2CCC1C(CCCOC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3|
Show InChI InChI=1S/C30H33F2NO/c1-33-26-17-18-29(33)27(28(20-26)21-6-3-2-4-7-21)8-5-19-34-30(22-9-13-24(31)14-10-22)23-11-15-25(32)16-12-23/h2-4,6-7,9-16,26-30H,5,8,17-20H2,1H3
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 60n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter by using [3H]WIN-35428 as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50142994
PNG
(2-(3-Benzhydryloxy-propyl)-8-methyl-3-phenyl-8-aza...)
Show SMILES CN1C2CCC1C(CCCOC(c1ccccc1)c1ccccc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3|
Show InChI InChI=1S/C30H35NO/c1-31-26-19-20-29(31)27(28(22-26)23-12-5-2-6-13-23)18-11-21-32-30(24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,26-30H,11,18-22H2,1H3
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 61n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by using [3H]-citalopram as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50143000
PNG
((S)-2-[Bis-(4-fluoro-phenyl)-methoxymethyl]-8-meth...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|
Show InChI InChI=1S/C29H31F2NO/c1-19-3-5-20(6-4-19)26-17-25-15-16-28(32(25)2)27(26)18-33-29(21-7-11-23(30)12-8-21)22-9-13-24(31)14-10-22/h3-14,25-29H,15-18H2,1-2H3/t25?,26?,27-,28?/m0/s1
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 62n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter by using [3H]WIN-35428 as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50143003
PNG
((S)-2-[Bis-(4-fluoro-phenyl)-methoxymethyl]-3-(4-f...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(F)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|
Show InChI InChI=1S/C28H28F3NO/c1-32-24-14-15-27(32)26(25(16-24)18-2-8-21(29)9-3-18)17-33-28(19-4-10-22(30)11-5-19)20-6-12-23(31)13-7-20/h2-13,24-28H,14-17H2,1H3/t24?,25?,26-,27?/m0/s1
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 63n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter by using [3H]WIN-35428 as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50142998
PNG
((R)-3-(4-Chloro-phenyl)-2-[(4-chloro-phenyl)-pheny...)
Show SMILES CN1C2CCC1[C@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|
Show InChI InChI=1S/C28H29Cl2NO/c1-31-24-15-16-27(31)26(25(17-24)19-7-11-22(29)12-8-19)18-32-28(20-5-3-2-4-6-20)21-9-13-23(30)14-10-21/h2-14,24-28H,15-18H2,1H3/t24?,25?,26-,27?,28?/m1/s1
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 76n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter by using [3H]WIN-35428 as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50142997
PNG
((S)-2-[(4-Chloro-phenyl)-phenyl-methoxymethyl]-8-m...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|
Show InChI InChI=1S/C29H32ClNO/c1-20-8-10-21(11-9-20)26-18-25-16-17-28(31(25)2)27(26)19-32-29(22-6-4-3-5-7-22)23-12-14-24(30)15-13-23/h3-15,25-29H,16-19H2,1-2H3/t25?,26?,27-,28?,29?/m0/s1
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 80n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter by using [3H]WIN-35428 as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50142991
PNG
((R)-2-[Bis-(4-fluoro-phenyl)-methoxymethyl]-3-(4-c...)
Show SMILES CN1C2CCC1[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|
Show InChI InChI=1S/C28H28ClF2NO/c1-32-24-14-15-27(32)26(25(16-24)18-2-8-21(29)9-3-18)17-33-28(19-4-10-22(30)11-5-19)20-6-12-23(31)13-7-20/h2-13,24-28H,14-17H2,1H3/t24?,25?,26-,27?/m1/s1
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 99n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter by using [3H]WIN-35428 as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50143006
PNG
((S)-2-[(4-Chloro-phenyl)-phenyl-methoxymethyl]-3-(...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(F)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|
Show InChI InChI=1S/C28H29ClFNO/c1-31-24-15-16-27(31)26(25(17-24)19-9-13-23(30)14-10-19)18-32-28(20-5-3-2-4-6-20)21-7-11-22(29)12-8-21/h2-14,24-28H,15-18H2,1H3/t24?,25?,26-,27?,28?/m0/s1
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 112n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter by using [3H]WIN-35428 as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50142992
PNG
((S)-2-Benzhydryloxymethyl-8-methyl-3-p-tolyl-8-aza...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|
Show InChI InChI=1S/C29H33NO/c1-21-13-15-22(16-14-21)26-19-25-17-18-28(30(25)2)27(26)20-31-29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,25-29H,17-20H2,1-2H3/t25?,26?,27-,28?/m0/s1
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 121n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by using [3H]-citalopram as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50142994
PNG
(2-(3-Benzhydryloxy-propyl)-8-methyl-3-phenyl-8-aza...)
Show SMILES CN1C2CCC1C(CCCOC(c1ccccc1)c1ccccc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3|
Show InChI InChI=1S/C30H35NO/c1-31-26-19-20-29(31)27(28(22-26)23-12-5-2-6-13-23)18-11-21-32-30(24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,26-30H,11,18-22H2,1H3
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 139n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter by using [3H]WIN-35428 as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50142996
PNG
((S)-2-Benzhydryloxymethyl-3-(4-chloro-phenyl)-8-me...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|
Show InChI InChI=1S/C28H30ClNO/c1-30-24-16-17-27(30)26(25(18-24)20-12-14-23(29)15-13-20)19-31-28(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,24-28H,16-19H2,1H3/t24?,25?,26-,27?/m0/s1
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 147n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by using [3H]-citalopram as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50142994
PNG
(2-(3-Benzhydryloxy-propyl)-8-methyl-3-phenyl-8-aza...)
Show SMILES CN1C2CCC1C(CCCOC(c1ccccc1)c1ccccc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3|
Show InChI InChI=1S/C30H35NO/c1-31-26-19-20-29(31)27(28(22-26)23-12-5-2-6-13-23)18-11-21-32-30(24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,26-30H,11,18-22H2,1H3
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 207n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against norepinephrine transporter by using [3H]nisoxetine as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50143000
PNG
((S)-2-[Bis-(4-fluoro-phenyl)-methoxymethyl]-8-meth...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|
Show InChI InChI=1S/C29H31F2NO/c1-19-3-5-20(6-4-19)26-17-25-15-16-28(32(25)2)27(26)18-33-29(21-7-11-23(30)12-8-21)22-9-13-24(31)14-10-22/h3-14,25-29H,15-18H2,1-2H3/t25?,26?,27-,28?/m0/s1
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 233n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by using [3H]-citalopram as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50142991
PNG
((R)-2-[Bis-(4-fluoro-phenyl)-methoxymethyl]-3-(4-c...)
Show SMILES CN1C2CCC1[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|
Show InChI InChI=1S/C28H28ClF2NO/c1-32-24-14-15-27(32)26(25(16-24)18-2-8-21(29)9-3-18)17-33-28(19-4-10-22(30)11-5-19)20-6-12-23(31)13-7-20/h2-13,24-28H,14-17H2,1H3/t24?,25?,26-,27?/m1/s1
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 245n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by using [3H]-citalopram as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50143005
PNG
(2-{3-[(4-Chloro-phenyl)-phenyl-methoxy]-propyl}-8-...)
Show SMILES CN1C2CCC1C(CCCOC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3|
Show InChI InChI=1S/C30H34ClNO/c1-32-26-18-19-29(32)27(28(21-26)22-9-4-2-5-10-22)13-8-20-33-30(23-11-6-3-7-12-23)24-14-16-25(31)17-15-24/h2-7,9-12,14-17,26-30H,8,13,18-21H2,1H3
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 261n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter by using [3H]WIN-35428 as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50142997
PNG
((S)-2-[(4-Chloro-phenyl)-phenyl-methoxymethyl]-8-m...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|
Show InChI InChI=1S/C29H32ClNO/c1-20-8-10-21(11-9-20)26-18-25-16-17-28(31(25)2)27(26)19-32-29(22-6-4-3-5-7-22)23-12-14-24(30)15-13-23/h3-15,25-29H,16-19H2,1-2H3/t25?,26?,27-,28?,29?/m0/s1
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 443n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by using [3H]-citalopram as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50142998
PNG
((R)-3-(4-Chloro-phenyl)-2-[(4-chloro-phenyl)-pheny...)
Show SMILES CN1C2CCC1[C@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|
Show InChI InChI=1S/C28H29Cl2NO/c1-31-24-15-16-27(31)26(25(17-24)19-7-11-22(29)12-8-19)18-32-28(20-5-3-2-4-6-20)21-9-13-23(30)14-10-21/h2-14,24-28H,15-18H2,1H3/t24?,25?,26-,27?,28?/m1/s1
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 462n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by using [3H]-citalopram as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50142992
PNG
((S)-2-Benzhydryloxymethyl-8-methyl-3-p-tolyl-8-aza...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|
Show InChI InChI=1S/C29H33NO/c1-21-13-15-22(16-14-21)26-19-25-17-18-28(30(25)2)27(26)20-31-29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,25-29H,17-20H2,1-2H3/t25?,26?,27-,28?/m0/s1
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 684n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against norepinephrine transporter by using [3H]nisoxetine as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50142996
PNG
((S)-2-Benzhydryloxymethyl-3-(4-chloro-phenyl)-8-me...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|
Show InChI InChI=1S/C28H30ClNO/c1-30-24-16-17-27(30)26(25(18-24)20-12-14-23(29)15-13-20)19-31-28(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,24-28H,16-19H2,1H3/t24?,25?,26-,27?/m0/s1
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 1.19E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against norepinephrine transporter by using [3H]nisoxetine as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50143000
PNG
((S)-2-[Bis-(4-fluoro-phenyl)-methoxymethyl]-8-meth...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|
Show InChI InChI=1S/C29H31F2NO/c1-19-3-5-20(6-4-19)26-17-25-15-16-28(32(25)2)27(26)18-33-29(21-7-11-23(30)12-8-21)22-9-13-24(31)14-10-22/h3-14,25-29H,15-18H2,1-2H3/t25?,26?,27-,28?/m0/s1
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 1.83E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against norepinephrine transporter by using [3H]nisoxetine as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50142998
PNG
((R)-3-(4-Chloro-phenyl)-2-[(4-chloro-phenyl)-pheny...)
Show SMILES CN1C2CCC1[C@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|
Show InChI InChI=1S/C28H29Cl2NO/c1-31-24-15-16-27(31)26(25(17-24)19-7-11-22(29)12-8-19)18-32-28(20-5-3-2-4-6-20)21-9-13-23(30)14-10-21/h2-14,24-28H,15-18H2,1H3/t24?,25?,26-,27?,28?/m1/s1
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 2.06E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against norepinephrine transporter by using [3H]nisoxetine as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50142991
PNG
((R)-2-[Bis-(4-fluoro-phenyl)-methoxymethyl]-3-(4-c...)
Show SMILES CN1C2CCC1[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|
Show InChI InChI=1S/C28H28ClF2NO/c1-32-24-14-15-27(32)26(25(16-24)18-2-8-21(29)9-3-18)17-33-28(19-4-10-22(30)11-5-19)20-6-12-23(31)13-7-20/h2-13,24-28H,14-17H2,1H3/t24?,25?,26-,27?/m1/s1
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 2.89E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against norepinephrine transporter by using [3H]nisoxetine as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50142997
PNG
((S)-2-[(4-Chloro-phenyl)-phenyl-methoxymethyl]-8-m...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|
Show InChI InChI=1S/C29H32ClNO/c1-20-8-10-21(11-9-20)26-18-25-16-17-28(31(25)2)27(26)19-32-29(22-6-4-3-5-7-22)23-12-14-24(30)15-13-23/h3-15,25-29H,16-19H2,1-2H3/t25?,26?,27-,28?,29?/m0/s1
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 4.40E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against norepinephrine transporter by using [3H]nisoxetine as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50142994
PNG
(2-(3-Benzhydryloxy-propyl)-8-methyl-3-phenyl-8-aza...)
Show SMILES CN1C2CCC1C(CCCOC(c1ccccc1)c1ccccc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3|
Show InChI InChI=1S/C30H35NO/c1-31-26-19-20-29(31)27(28(22-26)23-12-5-2-6-13-23)18-11-21-32-30(24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,26-30H,11,18-22H2,1H3
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 7.97E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by using [3H]pirenzepine as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50142992
PNG
((S)-2-Benzhydryloxymethyl-8-methyl-3-p-tolyl-8-aza...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|
Show InChI InChI=1S/C29H33NO/c1-21-13-15-22(16-14-21)26-19-25-17-18-28(30(25)2)27(26)20-31-29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,25-29H,17-20H2,1-2H3/t25?,26?,27-,28?/m0/s1
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 1.06E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by using [3H]pirenzepine as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50142996
PNG
((S)-2-Benzhydryloxymethyl-3-(4-chloro-phenyl)-8-me...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|
Show InChI InChI=1S/C28H30ClNO/c1-30-24-16-17-27(30)26(25(18-24)20-12-14-23(29)15-13-20)19-31-28(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,24-28H,16-19H2,1H3/t24?,25?,26-,27?/m0/s1
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 1.10E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by using [3H]pirenzepine as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50143000
PNG
((S)-2-[Bis-(4-fluoro-phenyl)-methoxymethyl]-8-meth...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|
Show InChI InChI=1S/C29H31F2NO/c1-19-3-5-20(6-4-19)26-17-25-15-16-28(32(25)2)27(26)18-33-29(21-7-11-23(30)12-8-21)22-9-13-24(31)14-10-22/h3-14,25-29H,15-18H2,1-2H3/t25?,26?,27-,28?/m0/s1
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 1.55E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by using [3H]pirenzepine as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50142991
PNG
((R)-2-[Bis-(4-fluoro-phenyl)-methoxymethyl]-3-(4-c...)
Show SMILES CN1C2CCC1[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|
Show InChI InChI=1S/C28H28ClF2NO/c1-32-24-14-15-27(32)26(25(16-24)18-2-8-21(29)9-3-18)17-33-28(19-4-10-22(30)11-5-19)20-6-12-23(31)13-7-20/h2-13,24-28H,14-17H2,1H3/t24?,25?,26-,27?/m1/s1
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 1.63E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by using [3H]pirenzepine as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50143005
PNG
(2-{3-[(4-Chloro-phenyl)-phenyl-methoxy]-propyl}-8-...)
Show SMILES CN1C2CCC1C(CCCOC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3|
Show InChI InChI=1S/C30H34ClNO/c1-32-26-18-19-29(32)27(28(21-26)22-9-4-2-5-10-22)13-8-20-33-30(23-11-6-3-7-12-23)24-14-16-25(31)17-15-24/h2-7,9-12,14-17,26-30H,8,13,18-21H2,1H3
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 2.46E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by using [3H]pirenzepine as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50142997
PNG
((S)-2-[(4-Chloro-phenyl)-phenyl-methoxymethyl]-8-m...)
Show SMILES CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|
Show InChI InChI=1S/C29H32ClNO/c1-20-8-10-21(11-9-20)26-18-25-16-17-28(31(25)2)27(26)19-32-29(22-6-4-3-5-7-22)23-12-14-24(30)15-13-23/h3-15,25-29H,16-19H2,1-2H3/t25?,26?,27-,28?,29?/m0/s1
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 3.16E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by using [3H]pirenzepine as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50142998
PNG
((R)-3-(4-Chloro-phenyl)-2-[(4-chloro-phenyl)-pheny...)
Show SMILES CN1C2CCC1[C@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|
Show InChI InChI=1S/C28H29Cl2NO/c1-31-24-15-16-27(31)26(25(17-24)19-7-11-22(29)12-8-19)18-32-28(20-5-3-2-4-6-20)21-9-13-23(30)14-10-21/h2-14,24-28H,15-18H2,1H3/t24?,25?,26-,27?,28?/m1/s1
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 3.99E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by using [3H]pirenzepine as a radioligand

J Med Chem 47: 1676-82 (2004)


Article DOI: 10.1021/jm030430a
BindingDB Entry DOI: 10.7270/Q2DN45SS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%