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PubMed code 11170654

Compile data set for download or QSAR
Found 72 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
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50080448
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3
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 0.980n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM86702
PNG
(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3
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 7.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
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 for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50080448
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3
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 21.6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50096188
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-aza-bicyclo...)
Show SMILES Clc1cccc(c1)C(OC1CC2CCC(C1)N2)c1ccccc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H22ClNO/c21-16-8-4-7-15(11-16)20(14-5-2-1-3-6-14)23-19-12-17-9-10-18(13-19)22-17/h1-8,11,17-20,22H,9-10,12-13H2
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 26.2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM86702
PNG
(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3
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 30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50096181
PNG
(8-Allyl-3-[(3-chloro-phenyl)-phenyl-methoxy]-8-aza...)
Show SMILES Clc1cccc(c1)C(OC1CC2CCC(C1)N2CC=C)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.10.15:12.13|
Show InChI InChI=1S/C23H26ClNO/c1-2-13-25-20-11-12-21(25)16-22(15-20)26-23(17-7-4-3-5-8-17)18-9-6-10-19(24)14-18/h2-10,14,20-23H,1,11-13,15-16H2
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 33.6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50096190
PNG
(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-aza-bicyclo...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccccc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H22ClNO/c21-16-8-6-15(7-9-16)20(14-4-2-1-3-5-14)23-19-12-17-10-11-18(13-19)22-17/h1-9,17-20,22H,10-13H2
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 36.8n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
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 for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50096189
PNG
(8-(3-Butyl-phenyl)-3-[(4-chloro-phenyl)-phenyl-met...)
Show SMILES CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Show InChI InChI=1S/C30H34ClNO/c1-2-3-8-22-9-7-12-26(19-22)32-27-17-18-28(32)21-29(20-27)33-30(23-10-5-4-6-11-23)24-13-15-25(31)16-14-24/h4-7,9-16,19,27-30H,2-3,8,17-18,20-21H2,1H3
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 53.3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50096193
PNG
(8-Allyl-3-[bis-(4-chloro-phenyl)-methoxy]-8-aza-bi...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(Cl)cc1 |TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Show InChI InChI=1S/C23H25Cl2NO/c1-2-13-26-20-11-12-21(26)15-22(14-20)27-23(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h2-10,20-23H,1,11-15H2
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 54.6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50096183
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(Cl)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H21Cl2NO/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17/h1-8,17-20,23H,9-12H2
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 61.7n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50096181
PNG
(8-Allyl-3-[(3-chloro-phenyl)-phenyl-methoxy]-8-aza...)
Show SMILES Clc1cccc(c1)C(OC1CC2CCC(C1)N2CC=C)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.10.15:12.13|
Show InChI InChI=1S/C23H26ClNO/c1-2-13-25-20-11-12-21(25)16-22(15-20)26-23(17-7-4-3-5-8-17)18-9-6-10-19(24)14-18/h2-10,14,20-23H,1,11-13,15-16H2
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 69.7n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50096185
PNG
(8-Allyl-3-[(4-chloro-phenyl)-phenyl-methoxy]-8-aza...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccccc1 |TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Show InChI InChI=1S/C23H26ClNO/c1-2-14-25-20-12-13-21(25)16-22(15-20)26-23(17-6-4-3-5-7-17)18-8-10-19(24)11-9-18/h2-11,20-23H,1,12-16H2
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 84.2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50096186
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-(3-butyl-pheny...)
Show SMILES CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Show InChI InChI=1S/C30H33Cl2NO/c1-2-3-5-21-6-4-7-26(18-21)33-27-16-17-28(33)20-29(19-27)34-30(22-8-12-24(31)13-9-22)23-10-14-25(32)15-11-23/h4,6-15,18,27-30H,2-3,5,16-17,19-20H2,1H3
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 85n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50096188
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-aza-bicyclo...)
Show SMILES Clc1cccc(c1)C(OC1CC2CCC(C1)N2)c1ccccc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H22ClNO/c21-16-8-4-7-15(11-16)20(14-5-2-1-3-6-14)23-19-12-17-9-10-18(13-19)22-17/h1-8,11,17-20,22H,9-10,12-13H2
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 91.7n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50096190
PNG
(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-aza-bicyclo...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccccc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H22ClNO/c21-16-8-6-15(7-9-16)20(14-4-2-1-3-5-14)23-19-12-17-10-11-18(13-19)22-17/h1-9,17-20,22H,10-13H2
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 95.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50096187
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-(3-propyl-p...)
Show SMILES CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
Show InChI InChI=1S/C29H32ClNO/c1-2-8-21-9-6-14-25(17-21)31-26-15-16-27(31)20-28(19-26)32-29(22-10-4-3-5-11-22)23-12-7-13-24(30)18-23/h3-7,9-14,17-18,26-29H,2,8,15-16,19-20H2,1H3
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 101n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50096185
PNG
(8-Allyl-3-[(4-chloro-phenyl)-phenyl-methoxy]-8-aza...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccccc1 |TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Show InChI InChI=1S/C23H26ClNO/c1-2-14-25-20-12-13-21(25)16-22(15-20)26-23(17-6-4-3-5-7-17)18-8-10-19(24)11-9-18/h2-11,20-23H,1,12-16H2
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 127n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50096193
PNG
(8-Allyl-3-[bis-(4-chloro-phenyl)-methoxy]-8-aza-bi...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(Cl)cc1 |TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Show InChI InChI=1S/C23H25Cl2NO/c1-2-13-26-20-11-12-21(26)15-22(14-20)27-23(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h2-10,20-23H,1,11-15H2
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 127n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50096192
PNG
(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-(3-propyl-p...)
Show SMILES CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
Show InChI InChI=1S/C29H32ClNO/c1-2-7-21-8-6-11-25(18-21)31-26-16-17-27(31)20-28(19-26)32-29(22-9-4-3-5-10-22)23-12-14-24(30)15-13-23/h3-6,8-15,18,26-29H,2,7,16-17,19-20H2,1H3
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 148n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50096180
PNG
(8-(3-Butyl-phenyl)-3-[(3-chloro-phenyl)-phenyl-met...)
Show SMILES CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Show InChI InChI=1S/C30H34ClNO/c1-2-3-9-22-10-7-15-26(18-22)32-27-16-17-28(32)21-29(20-27)33-30(23-11-5-4-6-12-23)24-13-8-14-25(31)19-24/h4-8,10-15,18-19,27-30H,2-3,9,16-17,20-21H2,1H3
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 153n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50096182
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-(3-propyl-phen...)
Show SMILES CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
Show InChI InChI=1S/C29H31Cl2NO/c1-2-4-20-5-3-6-25(17-20)32-26-15-16-27(32)19-28(18-26)33-29(21-7-11-23(30)12-8-21)22-9-13-24(31)14-10-22/h3,5-14,17,26-29H,2,4,15-16,18-19H2,1H3
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 158n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50096179
PNG
(8-Benzyl-3-[(3-chloro-phenyl)-phenyl-methoxy]-8-az...)
Show SMILES Clc1cccc(c1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Show InChI InChI=1S/C27H28ClNO/c28-23-13-7-12-22(16-23)27(21-10-5-2-6-11-21)30-26-17-24-14-15-25(18-26)29(24)19-20-8-3-1-4-9-20/h1-13,16,24-27H,14-15,17-19H2
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 191n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50080448
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3
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 258n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50096192
PNG
(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-(3-propyl-p...)
Show SMILES CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
Show InChI InChI=1S/C29H32ClNO/c1-2-7-21-8-6-11-25(18-21)31-26-16-17-27(31)20-28(19-26)32-29(22-9-4-3-5-10-22)23-12-14-24(30)15-13-23/h3-6,8-15,18,26-29H,2,7,16-17,19-20H2,1H3
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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
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50096187
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-(3-propyl-p...)
Show SMILES CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
Show InChI InChI=1S/C29H32ClNO/c1-2-8-21-9-6-14-25(17-21)31-26-15-16-27(31)20-28(19-26)32-29(22-10-4-3-5-11-22)23-12-7-13-24(30)18-23/h3-7,9-14,17-18,26-29H,2,8,15-16,19-20H2,1H3
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 337n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50096191
PNG
(8-Benzyl-3-[(4-chloro-phenyl)-phenyl-methoxy]-8-az...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Show InChI InChI=1S/C27H28ClNO/c28-23-13-11-22(12-14-23)27(21-9-5-2-6-10-21)30-26-17-24-15-16-25(18-26)29(24)19-20-7-3-1-4-8-20/h1-14,24-27H,15-19H2
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 365n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50096192
PNG
(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-(3-propyl-p...)
Show SMILES CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
Show InChI InChI=1S/C29H32ClNO/c1-2-7-21-8-6-11-25(18-21)31-26-16-17-27(31)20-28(19-26)32-29(22-9-4-3-5-10-22)23-12-14-24(30)15-13-23/h3-6,8-15,18,26-29H,2,7,16-17,19-20H2,1H3
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 397n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50096184
PNG
(8-Benzyl-3-[bis-(4-chloro-phenyl)-methoxy]-8-aza-b...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(Cl)cc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Show InChI InChI=1S/C27H27Cl2NO/c28-22-10-6-20(7-11-22)27(21-8-12-23(29)13-9-21)31-26-16-24-14-15-25(17-26)30(24)18-19-4-2-1-3-5-19/h1-13,24-27H,14-18H2
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 399n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50096187
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-(3-propyl-p...)
Show SMILES CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
Show InChI InChI=1S/C29H32ClNO/c1-2-8-21-9-6-14-25(17-21)31-26-15-16-27(31)20-28(19-26)32-29(22-10-4-3-5-11-22)23-12-7-13-24(30)18-23/h3-7,9-14,17-18,26-29H,2,8,15-16,19-20H2,1H3
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 429n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50080448
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3
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 451n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50096188
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-aza-bicyclo...)
Show SMILES Clc1cccc(c1)C(OC1CC2CCC(C1)N2)c1ccccc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H22ClNO/c21-16-8-4-7-15(11-16)20(14-5-2-1-3-6-14)23-19-12-17-9-10-18(13-19)22-17/h1-8,11,17-20,22H,9-10,12-13H2
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 508n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50096180
PNG
(8-(3-Butyl-phenyl)-3-[(3-chloro-phenyl)-phenyl-met...)
Show SMILES CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Show InChI InChI=1S/C30H34ClNO/c1-2-3-9-22-10-7-15-26(18-22)32-27-16-17-28(32)21-29(20-27)33-30(23-11-5-4-6-12-23)24-13-8-14-25(31)19-24/h4-8,10-15,18-19,27-30H,2-3,9,16-17,20-21H2,1H3
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 564n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50096193
PNG
(8-Allyl-3-[bis-(4-chloro-phenyl)-methoxy]-8-aza-bi...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(Cl)cc1 |TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Show InChI InChI=1S/C23H25Cl2NO/c1-2-13-26-20-11-12-21(26)15-22(14-20)27-23(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h2-10,20-23H,1,11-15H2
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 568n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50096182
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-(3-propyl-phen...)
Show SMILES CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
Show InChI InChI=1S/C29H31Cl2NO/c1-2-4-20-5-3-6-25(17-20)32-26-15-16-27(32)19-28(18-26)33-29(21-7-11-23(30)12-8-21)22-9-13-24(31)14-10-22/h3,5-14,17,26-29H,2,4,15-16,18-19H2,1H3
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 585n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50096180
PNG
(8-(3-Butyl-phenyl)-3-[(3-chloro-phenyl)-phenyl-met...)
Show SMILES CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Show InChI InChI=1S/C30H34ClNO/c1-2-3-9-22-10-7-15-26(18-22)32-27-16-17-28(32)21-29(20-27)33-30(23-11-5-4-6-12-23)24-13-8-14-25(31)19-24/h4-8,10-15,18-19,27-30H,2-3,9,16-17,20-21H2,1H3
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 591n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50096183
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(Cl)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H21Cl2NO/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17/h1-8,17-20,23H,9-12H2
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 649n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50096186
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-(3-butyl-pheny...)
Show SMILES CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Show InChI InChI=1S/C30H33Cl2NO/c1-2-3-5-21-6-4-7-26(18-21)33-27-16-17-28(33)20-29(19-27)34-30(22-8-12-24(31)13-9-22)23-10-14-25(32)15-11-23/h4,6-15,18,27-30H,2-3,5,16-17,19-20H2,1H3
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 659n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50096179
PNG
(8-Benzyl-3-[(3-chloro-phenyl)-phenyl-methoxy]-8-az...)
Show SMILES Clc1cccc(c1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Show InChI InChI=1S/C27H28ClNO/c28-23-13-7-12-22(16-23)27(21-10-5-2-6-11-21)30-26-17-24-14-15-25(18-26)29(24)19-20-8-3-1-4-9-20/h1-13,16,24-27H,14-15,17-19H2
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 674n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50096183
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(Cl)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H21Cl2NO/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17/h1-8,17-20,23H,9-12H2
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 727n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50096189
PNG
(8-(3-Butyl-phenyl)-3-[(4-chloro-phenyl)-phenyl-met...)
Show SMILES CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Show InChI InChI=1S/C30H34ClNO/c1-2-3-8-22-9-7-12-26(19-22)32-27-17-18-28(32)21-29(20-27)33-30(23-10-5-4-6-11-23)24-13-15-25(31)16-14-24/h4-7,9-16,19,27-30H,2-3,8,17-18,20-21H2,1H3
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 737n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50096190
PNG
(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-aza-bicyclo...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccccc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H22ClNO/c21-16-8-6-15(7-9-16)20(14-4-2-1-3-5-14)23-19-12-17-10-11-18(13-19)22-17/h1-9,17-20,22H,10-13H2
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 1.01E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50096181
PNG
(8-Allyl-3-[(3-chloro-phenyl)-phenyl-methoxy]-8-aza...)
Show SMILES Clc1cccc(c1)C(OC1CC2CCC(C1)N2CC=C)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.10.15:12.13|
Show InChI InChI=1S/C23H26ClNO/c1-2-13-25-20-11-12-21(25)16-22(15-20)26-23(17-7-4-3-5-8-17)18-9-6-10-19(24)14-18/h2-10,14,20-23H,1,11-13,15-16H2
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 1.20E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50096181
PNG
(8-Allyl-3-[(3-chloro-phenyl)-phenyl-methoxy]-8-aza...)
Show SMILES Clc1cccc(c1)C(OC1CC2CCC(C1)N2CC=C)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.10.15:12.13|
Show InChI InChI=1S/C23H26ClNO/c1-2-13-25-20-11-12-21(25)16-22(15-20)26-23(17-7-4-3-5-8-17)18-9-6-10-19(24)14-18/h2-10,14,20-23H,1,11-13,15-16H2
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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 for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50096190
PNG
(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-aza-bicyclo...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccccc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H22ClNO/c21-16-8-6-15(7-9-16)20(14-4-2-1-3-5-14)23-19-12-17-10-11-18(13-19)22-17/h1-9,17-20,22H,10-13H2
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 1.32E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50096189
PNG
(8-(3-Butyl-phenyl)-3-[(4-chloro-phenyl)-phenyl-met...)
Show SMILES CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Show InChI InChI=1S/C30H34ClNO/c1-2-3-8-22-9-7-12-26(19-22)32-27-17-18-28(32)21-29(20-27)33-30(23-10-5-4-6-11-23)24-13-15-25(31)16-14-24/h4-7,9-16,19,27-30H,2-3,8,17-18,20-21H2,1H3
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 1.43E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50096180
PNG
(8-(3-Butyl-phenyl)-3-[(3-chloro-phenyl)-phenyl-met...)
Show SMILES CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Show InChI InChI=1S/C30H34ClNO/c1-2-3-9-22-10-7-15-26(18-22)32-27-16-17-28(32)21-29(20-27)33-30(23-11-5-4-6-12-23)24-13-8-14-25(31)19-24/h4-8,10-15,18-19,27-30H,2-3,9,16-17,20-21H2,1H3
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 1.47E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM86702
PNG
(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3
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 1.47E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
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 for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50096179
PNG
(8-Benzyl-3-[(3-chloro-phenyl)-phenyl-methoxy]-8-az...)
Show SMILES Clc1cccc(c1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Show InChI InChI=1S/C27H28ClNO/c28-23-13-7-12-22(16-23)27(21-10-5-2-6-11-21)30-26-17-24-14-15-25(18-26)29(24)19-20-8-3-1-4-9-20/h1-13,16,24-27H,14-15,17-19H2
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 1.68E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50096187
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-(3-propyl-p...)
Show SMILES CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
Show InChI InChI=1S/C29H32ClNO/c1-2-8-21-9-6-14-25(17-21)31-26-15-16-27(31)20-28(19-26)32-29(22-10-4-3-5-11-22)23-12-7-13-24(30)18-23/h3-7,9-14,17-18,26-29H,2,8,15-16,19-20H2,1H3
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 1.81E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50096188
PNG
(3-[(3-Chloro-phenyl)-phenyl-methoxy]-8-aza-bicyclo...)
Show SMILES Clc1cccc(c1)C(OC1CC2CCC(C1)N2)c1ccccc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H22ClNO/c21-16-8-4-7-15(11-16)20(14-5-2-1-3-6-14)23-19-12-17-9-10-18(13-19)22-17/h1-8,11,17-20,22H,9-10,12-13H2
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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 for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50096189
PNG
(8-(3-Butyl-phenyl)-3-[(4-chloro-phenyl)-phenyl-met...)
Show SMILES CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Show InChI InChI=1S/C30H34ClNO/c1-2-3-8-22-9-7-12-26(19-22)32-27-17-18-28(32)21-29(20-27)33-30(23-10-5-4-6-11-23)24-13-15-25(31)16-14-24/h4-7,9-16,19,27-30H,2-3,8,17-18,20-21H2,1H3
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 2.32E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50096185
PNG
(8-Allyl-3-[(4-chloro-phenyl)-phenyl-methoxy]-8-aza...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccccc1 |TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Show InChI InChI=1S/C23H26ClNO/c1-2-14-25-20-12-13-21(25)16-22(15-20)26-23(17-6-4-3-5-7-17)18-8-10-19(24)11-9-18/h2-11,20-23H,1,12-16H2
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 2.33E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50096191
PNG
(8-Benzyl-3-[(4-chloro-phenyl)-phenyl-methoxy]-8-az...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Show InChI InChI=1S/C27H28ClNO/c28-23-13-11-22(12-14-23)27(21-9-5-2-6-10-21)30-26-17-24-15-16-25(18-26)29(24)19-20-7-3-1-4-8-20/h1-14,24-27H,15-19H2
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 2.56E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
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
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50096182
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-(3-propyl-phen...)
Show SMILES CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
Show InChI InChI=1S/C29H31Cl2NO/c1-2-4-20-5-3-6-25(17-20)32-26-15-16-27(32)19-28(18-26)33-29(21-7-11-23(30)12-8-21)22-9-13-24(31)14-10-22/h3,5-14,17,26-29H,2,4,15-16,18-19H2,1H3
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 3.05E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50096191
PNG
(8-Benzyl-3-[(4-chloro-phenyl)-phenyl-methoxy]-8-az...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Show InChI InChI=1S/C27H28ClNO/c28-23-13-11-22(12-14-23)27(21-9-5-2-6-10-21)30-26-17-24-15-16-25(18-26)29(24)19-20-7-3-1-4-8-20/h1-14,24-27H,15-19H2
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 3.53E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50096184
PNG
(8-Benzyl-3-[bis-(4-chloro-phenyl)-methoxy]-8-aza-b...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(Cl)cc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Show InChI InChI=1S/C27H27Cl2NO/c28-22-10-6-20(7-11-22)27(21-8-12-23(29)13-9-21)31-26-16-24-14-15-25(17-26)30(24)18-19-4-2-1-3-5-19/h1-13,24-27H,14-18H2
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 3.61E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50096186
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-(3-butyl-pheny...)
Show SMILES CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Show InChI InChI=1S/C30H33Cl2NO/c1-2-3-5-21-6-4-7-26(18-21)33-27-16-17-28(33)20-29(19-27)34-30(22-8-12-24(31)13-9-22)23-10-14-25(32)15-11-23/h4,6-15,18,27-30H,2-3,5,16-17,19-20H2,1H3
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 3.73E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50096193
PNG
(8-Allyl-3-[bis-(4-chloro-phenyl)-methoxy]-8-aza-bi...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(Cl)cc1 |TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Show InChI InChI=1S/C23H25Cl2NO/c1-2-13-26-20-11-12-21(26)15-22(14-20)27-23(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h2-10,20-23H,1,11-15H2
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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 for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50096185
PNG
(8-Allyl-3-[(4-chloro-phenyl)-phenyl-methoxy]-8-aza...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccccc1 |TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Show InChI InChI=1S/C23H26ClNO/c1-2-14-25-20-12-13-21(25)16-22(15-20)26-23(17-6-4-3-5-7-17)18-8-10-19(24)11-9-18/h2-11,20-23H,1,12-16H2
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 4.72E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50096186
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-(3-butyl-pheny...)
Show SMILES CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Show InChI InChI=1S/C30H33Cl2NO/c1-2-3-5-21-6-4-7-26(18-21)33-27-16-17-28(33)20-29(19-27)34-30(22-8-12-24(31)13-9-22)23-10-14-25(32)15-11-23/h4,6-15,18,27-30H,2-3,5,16-17,19-20H2,1H3
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 4.95E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM86702
PNG
(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3
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 5.12E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50096183
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(Cl)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H21Cl2NO/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17/h1-8,17-20,23H,9-12H2
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 6.04E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50096179
PNG
(8-Benzyl-3-[(3-chloro-phenyl)-phenyl-methoxy]-8-az...)
Show SMILES Clc1cccc(c1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Show InChI InChI=1S/C27H28ClNO/c28-23-13-7-12-22(16-23)27(21-10-5-2-6-11-21)30-26-17-24-14-15-25(18-26)29(24)19-20-8-3-1-4-9-20/h1-13,16,24-27H,14-15,17-19H2
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 6.46E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50096184
PNG
(8-Benzyl-3-[bis-(4-chloro-phenyl)-methoxy]-8-aza-b...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(Cl)cc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Show InChI InChI=1S/C27H27Cl2NO/c28-22-10-6-20(7-11-22)27(21-8-12-23(29)13-9-21)31-26-16-24-14-15-25(17-26)30(24)18-19-4-2-1-3-5-19/h1-13,24-27H,14-18H2
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 7.66E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50096184
PNG
(8-Benzyl-3-[bis-(4-chloro-phenyl)-methoxy]-8-aza-b...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(Cl)cc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Show InChI InChI=1S/C27H27Cl2NO/c28-22-10-6-20(7-11-22)27(21-8-12-23(29)13-9-21)31-26-16-24-14-15-25(17-26)30(24)18-19-4-2-1-3-5-19/h1-13,24-27H,14-18H2
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 8.63E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50096192
PNG
(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-(3-propyl-p...)
Show SMILES CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
Show InChI InChI=1S/C29H32ClNO/c1-2-7-21-8-6-11-25(18-21)31-26-16-17-27(31)20-28(19-26)32-29(22-9-4-3-5-10-22)23-12-14-24(30)15-13-23/h3-6,8-15,18,26-29H,2,7,16-17,19-20H2,1H3
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 1.03E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50096191
PNG
(8-Benzyl-3-[(4-chloro-phenyl)-phenyl-methoxy]-8-az...)
Show SMILES Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Show InChI InChI=1S/C27H28ClNO/c28-23-13-11-22(12-14-23)27(21-9-5-2-6-10-21)30-26-17-24-15-16-25(18-26)29(24)19-20-7-3-1-4-8-20/h1-14,24-27H,15-19H2
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 1.30E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50096182
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-(3-propyl-phen...)
Show SMILES CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
Show InChI InChI=1S/C29H31Cl2NO/c1-2-4-20-5-3-6-25(17-20)32-26-15-16-27(32)19-28(18-26)33-29(21-7-11-23(30)12-8-21)22-9-13-24(31)14-10-22/h3,5-14,17,26-29H,2,4,15-16,18-19H2,1H3
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 1.98E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand

J Med Chem 44: 633-40 (2001)


BindingDB Entry DOI: 10.7270/Q2MP540N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%