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PubMed code 15189035

Compile data set for download or QSAR
Found 67 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))		BDBM22199
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O/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/h1-15,28H,16-22H2/b7-4+
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 0.900n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
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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 3.70n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50107330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(4-phenyl-buty...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C30H33F2NO/c31-25-13-9-23(10-14-25)30(24-11-15-26(32)16-12-24)34-29-20-27-17-18-28(21-29)33(27)19-5-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-30H,4-5,8,17-21H2
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 8.51n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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 11.6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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 11.8n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50148736
PNG
(CHEMBL112528 | N-(2-{3-[Bis-(4-fluoro-phenyl)-meth...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1cccnc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C28H29F2N3O2/c29-22-7-3-19(4-8-22)27(20-5-9-23(30)10-6-20)35-26-16-24-11-12-25(17-26)33(24)15-14-32-28(34)21-2-1-13-31-18-21/h1-10,13,18,24-27H,11-12,14-17H2,(H,32,34)
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 12.6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50148744
PNG
(CHEMBL115253 | N-(2-{3-[Bis-(4-fluoro-phenyl)-meth...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H30F2N2O2/c30-23-10-6-20(7-11-23)28(21-8-12-24(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-32-29(34)22-4-2-1-3-5-22/h1-13,25-28H,14-19H2,(H,32,34)
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 13.1n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50175155
PNG
(2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....)
Show SMILES NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3|
Show InChI InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2
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 13.9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50039177
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23Cl2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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 20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50148746
PNG
(4-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo...)
Show SMILES NCCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:13:11:5:7.8|
Show InChI InChI=1S/C24H30F2N2O/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)29-23-15-21-11-12-22(16-23)28(21)14-2-1-13-27/h3-10,21-24H,1-2,11-16,27H2
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 26n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50175151
PNG
(3-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Show InChI InChI=1S/C29H30F2N2O2/c30-22-10-6-20(7-11-22)29(21-8-12-23(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-28(34)32-24-4-2-1-3-5-24/h1-13,25-27,29H,14-19H2,(H,32,34)
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 27.6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50148741
PNG
(Benzyl-(2-{3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H32F2N2O/c30-24-10-6-22(7-11-24)29(23-8-12-25(31)13-9-23)34-28-18-26-14-15-27(19-28)33(26)17-16-32-20-21-4-2-1-3-5-21/h1-13,26-29,32H,14-20H2
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 36n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50148735
PNG
(2-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...)
Show SMILES OCCOCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:14:12:6:8.9|
Show InChI InChI=1S/C24H29F2NO3/c25-19-5-1-17(2-6-19)24(18-3-7-20(26)8-4-18)30-23-15-21-9-10-22(16-23)27(21)11-13-29-14-12-28/h1-8,21-24,28H,9-16H2
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 42.6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50039177
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23Cl2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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 47.9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50148738
PNG
((4-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicycl...)
Show SMILES CN(C)CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:15:13:7:9.10|
Show InChI InChI=1S/C26H34F2N2O/c1-29(2)15-3-4-16-30-23-13-14-24(30)18-25(17-23)31-26(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h5-12,23-26H,3-4,13-18H2,1-2H3
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 48n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50148740
PNG
(8-(2-Benzyloxy-ethyl)-3-[bis-(4-fluoro-phenyl)-met...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H31F2NO2/c30-24-10-6-22(7-11-24)29(23-8-12-25(31)13-9-23)34-28-18-26-14-15-27(19-28)32(26)16-17-33-20-21-4-2-1-3-5-21/h1-13,26-29H,14-20H2
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 48.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50148742
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[2-(thiophen-2...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1cccs1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C27H29F2NO2S/c28-21-7-3-19(4-8-21)27(20-5-9-22(29)10-6-20)32-25-16-23-11-12-24(17-25)30(23)13-14-31-18-26-2-1-15-33-26/h1-10,15,23-25,27H,11-14,16-18H2
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 65.9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50148745
PNG
(3-{3-[Bis-(4-chloro-phenyl)-methoxy]-8-aza-bicyclo...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(Cl)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H30Cl2N2O2/c30-22-10-6-20(7-11-22)29(21-8-12-23(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-28(34)32-24-4-2-1-3-5-24/h1-13,25-27,29H,14-19H2,(H,32,34)
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 181n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
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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 285n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
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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 286n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50148735
PNG
(2-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...)
Show SMILES OCCOCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:14:12:6:8.9|
Show InChI InChI=1S/C24H29F2NO3/c25-19-5-1-17(2-6-19)24(18-3-7-20(26)8-4-18)30-23-15-21-9-10-22(16-23)27(21)11-13-29-14-12-28/h1-8,21-24,28H,9-16H2
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 336n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50148738
PNG
((4-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicycl...)
Show SMILES CN(C)CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:15:13:7:9.10|
Show InChI InChI=1S/C26H34F2N2O/c1-29(2)15-3-4-16-30-23-13-14-24(30)18-25(17-23)31-26(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h5-12,23-26H,3-4,13-18H2,1-2H3
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 368n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50107330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(4-phenyl-buty...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C30H33F2NO/c31-25-13-9-23(10-14-25)30(24-11-15-26(32)16-12-24)34-29-20-27-17-18-28(21-29)33(27)19-5-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-30H,4-5,8,17-21H2
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 376n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50148740
PNG
(8-(2-Benzyloxy-ethyl)-3-[bis-(4-fluoro-phenyl)-met...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H31F2NO2/c30-24-10-6-22(7-11-24)29(23-8-12-25(31)13-9-23)34-28-18-26-14-15-27(19-28)32(26)16-17-33-20-21-4-2-1-3-5-21/h1-13,26-29H,14-20H2
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 390n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50148736
PNG
(CHEMBL112528 | N-(2-{3-[Bis-(4-fluoro-phenyl)-meth...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1cccnc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C28H29F2N3O2/c29-22-7-3-19(4-8-22)27(20-5-9-23(30)10-6-20)35-26-16-24-11-12-25(17-26)33(24)15-14-32-28(34)21-2-1-13-31-18-21/h1-10,13,18,24-27H,11-12,14-17H2,(H,32,34)
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 394n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50148738
PNG
((4-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicycl...)
Show SMILES CN(C)CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:15:13:7:9.10|
Show InChI InChI=1S/C26H34F2N2O/c1-29(2)15-3-4-16-30-23-13-14-24(30)18-25(17-23)31-26(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h5-12,23-26H,3-4,13-18H2,1-2H3
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 499n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50148746
PNG
(4-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo...)
Show SMILES NCCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:13:11:5:7.8|
Show InChI InChI=1S/C24H30F2N2O/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)29-23-15-21-11-12-22(16-23)28(21)14-2-1-13-27/h3-10,21-24H,1-2,11-16,27H2
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 555n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50148744
PNG
(CHEMBL115253 | N-(2-{3-[Bis-(4-fluoro-phenyl)-meth...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H30F2N2O2/c30-23-10-6-20(7-11-23)28(21-8-12-24(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-32-29(34)22-4-2-1-3-5-22/h1-13,25-28H,14-19H2,(H,32,34)
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 556n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50148745
PNG
(3-{3-[Bis-(4-chloro-phenyl)-methoxy]-8-aza-bicyclo...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(Cl)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H30Cl2N2O2/c30-22-10-6-20(7-11-22)29(21-8-12-23(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-28(34)32-24-4-2-1-3-5-24/h1-13,25-27,29H,14-19H2,(H,32,34)
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 558n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50148736
PNG
(CHEMBL112528 | N-(2-{3-[Bis-(4-fluoro-phenyl)-meth...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1cccnc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C28H29F2N3O2/c29-22-7-3-19(4-8-22)27(20-5-9-23(30)10-6-20)35-26-16-24-11-12-25(17-26)33(24)15-14-32-28(34)21-2-1-13-31-18-21/h1-10,13,18,24-27H,11-12,14-17H2,(H,32,34)
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 572n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50107330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(4-phenyl-buty...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C30H33F2NO/c31-25-13-9-23(10-14-25)30(24-11-15-26(32)16-12-24)34-29-20-27-17-18-28(21-29)33(27)19-5-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-30H,4-5,8,17-21H2
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 576n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50148744
PNG
(CHEMBL115253 | N-(2-{3-[Bis-(4-fluoro-phenyl)-meth...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H30F2N2O2/c30-23-10-6-20(7-11-23)28(21-8-12-24(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-32-29(34)22-4-2-1-3-5-22/h1-13,25-28H,14-19H2,(H,32,34)
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 597n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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 610n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


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

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50148742
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[2-(thiophen-2...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1cccs1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C27H29F2NO2S/c28-21-7-3-19(4-8-21)27(20-5-9-22(29)10-6-20)32-25-16-23-11-12-24(17-25)30(23)13-14-31-18-26-2-1-15-33-26/h1-10,15,23-25,27H,11-14,16-18H2
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 613n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50148744
PNG
(CHEMBL115253 | N-(2-{3-[Bis-(4-fluoro-phenyl)-meth...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H30F2N2O2/c30-23-10-6-20(7-11-23)28(21-8-12-24(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-32-29(34)22-4-2-1-3-5-22/h1-13,25-28H,14-19H2,(H,32,34)
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 637n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


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

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50148736
PNG
(CHEMBL112528 | N-(2-{3-[Bis-(4-fluoro-phenyl)-meth...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1cccnc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C28H29F2N3O2/c29-22-7-3-19(4-8-22)27(20-5-9-23(30)10-6-20)35-26-16-24-11-12-25(17-26)33(24)15-14-32-28(34)21-2-1-13-31-18-21/h1-10,13,18,24-27H,11-12,14-17H2,(H,32,34)
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 652n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


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

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50148739
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(3-phenoxy-pro...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCOc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H31F2NO2/c30-23-11-7-21(8-12-23)29(22-9-13-24(31)14-10-22)34-28-19-25-15-16-26(20-28)32(25)17-4-18-33-27-5-2-1-3-6-27/h1-3,5-14,25-26,28-29H,4,15-20H2
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 703n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50148741
PNG
(Benzyl-(2-{3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H32F2N2O/c30-24-10-6-22(7-11-24)29(23-8-12-25(31)13-9-23)34-28-18-26-14-15-27(19-28)33(26)17-16-32-20-21-4-2-1-3-5-21/h1-13,26-29,32H,14-20H2
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 1.09E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50148741
PNG
(Benzyl-(2-{3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H32F2N2O/c30-24-10-6-22(7-11-24)29(23-8-12-25(31)13-9-23)34-28-18-26-14-15-27(19-28)33(26)17-16-32-20-21-4-2-1-3-5-21/h1-13,26-29,32H,14-20H2
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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
Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat brain

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50148741
PNG
(Benzyl-(2-{3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H32F2N2O/c30-24-10-6-22(7-11-24)29(23-8-12-25(31)13-9-23)34-28-18-26-14-15-27(19-28)33(26)17-16-32-20-21-4-2-1-3-5-21/h1-13,26-29,32H,14-20H2
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 1.23E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50175155
PNG
(2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....)
Show SMILES NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3|
Show InChI InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2
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 1.25E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50148740
PNG
(8-(2-Benzyloxy-ethyl)-3-[bis-(4-fluoro-phenyl)-met...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H31F2NO2/c30-24-10-6-22(7-11-24)29(23-8-12-25(31)13-9-23)34-28-18-26-14-15-27(19-28)32(26)16-17-33-20-21-4-2-1-3-5-21/h1-13,26-29H,14-20H2
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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
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50175155
PNG
(2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....)
Show SMILES NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3|
Show InChI InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2
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 1.42E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


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

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50175151
PNG
(3-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Show InChI InChI=1S/C29H30F2N2O2/c30-22-10-6-20(7-11-22)29(21-8-12-23(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-28(34)32-24-4-2-1-3-5-24/h1-13,25-27,29H,14-19H2,(H,32,34)
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 1.42E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


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

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50175151
PNG
(3-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Show InChI InChI=1S/C29H30F2N2O2/c30-22-10-6-20(7-11-22)29(21-8-12-23(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-28(34)32-24-4-2-1-3-5-24/h1-13,25-27,29H,14-19H2,(H,32,34)
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 1.49E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50148734
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[2-(2-morpholi...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCCN1CCOCC1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C28H36F2N2O3/c29-23-5-1-21(2-6-23)28(22-3-7-24(30)8-4-22)35-27-19-25-9-10-26(20-27)32(25)14-18-34-17-13-31-11-15-33-16-12-31/h1-8,25-28H,9-20H2
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 1.62E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50039177
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23Cl2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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 1.64E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50148742
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[2-(thiophen-2...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1cccs1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C27H29F2NO2S/c28-21-7-3-19(4-8-21)27(20-5-9-22(29)10-6-20)32-25-16-23-11-12-24(17-25)30(23)13-14-31-18-26-2-1-15-33-26/h1-10,15,23-25,27H,11-14,16-18H2
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 2.09E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50107330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(4-phenyl-buty...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C30H33F2NO/c31-25-13-9-23(10-14-25)30(24-11-15-26(32)16-12-24)34-29-20-27-17-18-28(21-29)33(27)19-5-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-30H,4-5,8,17-21H2
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 2.21E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


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

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50148746
PNG
(4-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo...)
Show SMILES NCCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:13:11:5:7.8|
Show InChI InChI=1S/C24H30F2N2O/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)29-23-15-21-11-12-22(16-23)28(21)14-2-1-13-27/h3-10,21-24H,1-2,11-16,27H2
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 2.37E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50039177
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23Cl2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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 2.98E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


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

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50148740
PNG
(8-(2-Benzyloxy-ethyl)-3-[bis-(4-fluoro-phenyl)-met...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H31F2NO2/c30-24-10-6-22(7-11-24)29(23-8-12-25(31)13-9-23)34-28-18-26-14-15-27(19-28)32(26)16-17-33-20-21-4-2-1-3-5-21/h1-13,26-29H,14-20H2
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 3.06E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


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

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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 3.26E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50175151
PNG
(3-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Show InChI InChI=1S/C29H30F2N2O2/c30-22-10-6-20(7-11-22)29(21-8-12-23(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-28(34)32-24-4-2-1-3-5-24/h1-13,25-27,29H,14-19H2,(H,32,34)
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 3.28E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
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
Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat brain

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50148742
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[2-(thiophen-2...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1cccs1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C27H29F2NO2S/c28-21-7-3-19(4-8-21)27(20-5-9-22(29)10-6-20)32-25-16-23-11-12-24(17-25)30(23)13-14-31-18-26-2-1-15-33-26/h1-10,15,23-25,27H,11-14,16-18H2
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 3.45E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


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

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50148735
PNG
(2-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...)
Show SMILES OCCOCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:14:12:6:8.9|
Show InChI InChI=1S/C24H29F2NO3/c25-19-5-1-17(2-6-19)24(18-3-7-20(26)8-4-18)30-23-15-21-9-10-22(16-23)27(21)11-13-29-14-12-28/h1-8,21-24,28H,9-16H2
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 3.65E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


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

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50148745
PNG
(3-{3-[Bis-(4-chloro-phenyl)-methoxy]-8-aza-bicyclo...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(Cl)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H30Cl2N2O2/c30-22-10-6-20(7-11-22)29(21-8-12-23(31)13-9-21)35-27-18-25-14-15-26(19-27)33(25)17-16-28(34)32-24-4-2-1-3-5-24/h1-13,25-27,29H,14-19H2,(H,32,34)
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 4.14E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50175155
PNG
(2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....)
Show SMILES NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3|
Show InChI InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2
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 4.60E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50148739
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(3-phenoxy-pro...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCOc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H31F2NO2/c30-23-11-7-21(8-12-23)29(22-9-13-24(31)14-10-22)34-28-19-25-15-16-26(20-28)32(25)17-4-18-33-27-5-2-1-3-6-27/h1-3,5-14,25-26,28-29H,4,15-20H2
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 7.73E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50148739
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(3-phenoxy-pro...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCOc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H31F2NO2/c30-23-11-7-21(8-12-23)29(22-9-13-24(31)14-10-22)34-28-19-25-15-16-26(20-28)32(25)17-4-18-33-27-5-2-1-3-6-27/h1-3,5-14,25-26,28-29H,4,15-20H2
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 9.28E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50148739
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(3-phenoxy-pro...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCOc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C29H31F2NO2/c30-23-11-7-21(8-12-23)29(22-9-13-24(31)14-10-22)34-28-19-25-15-16-26(20-28)32(25)17-4-18-33-27-5-2-1-3-6-27/h1-3,5-14,25-26,28-29H,4,15-20H2
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 1.21E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


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

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50148735
PNG
(2-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...)
Show SMILES OCCOCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:14:12:6:8.9|
Show InChI InChI=1S/C24H29F2NO3/c25-19-5-1-17(2-6-19)24(18-3-7-20(26)8-4-18)30-23-15-21-9-10-22(16-23)27(21)11-13-29-14-12-28/h1-8,21-24,28H,9-16H2
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 1.43E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50148734
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[2-(2-morpholi...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCCN1CCOCC1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C28H36F2N2O3/c29-23-5-1-21(2-6-23)28(22-3-7-24(30)8-4-22)35-27-19-25-9-10-26(20-27)32(25)14-18-34-17-13-31-11-15-33-16-12-31/h1-8,25-28H,9-20H2
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 1.58E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50148734
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[2-(2-morpholi...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCCN1CCOCC1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C28H36F2N2O3/c29-23-5-1-21(2-6-23)28(22-3-7-24(30)8-4-22)35-27-19-25-9-10-26(20-27)32(25)14-18-34-17-13-31-11-15-33-16-12-31/h1-8,25-28H,9-20H2
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 2.30E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50148734
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[2-(2-morpholi...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCCN1CCOCC1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Show InChI InChI=1S/C28H36F2N2O3/c29-23-5-1-21(2-6-23)28(22-3-7-24(30)8-4-22)35-27-19-25-9-10-26(20-27)32(25)14-18-34-17-13-31-11-15-33-16-12-31/h1-8,25-28H,9-20H2
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 2.81E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


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

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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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 6.14E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse--Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.

J Med Chem 47: 3388-98 (2004)


Article DOI: 10.1021/jm030646c
BindingDB Entry DOI: 10.7270/Q2WS8TZ4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%