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PubMed code 9435902

Compile data set for download or QSAR
Found 60 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50450532
PNG
(CHEMBL2308105)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCc1ccccc1 |r|
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/t27-,28+,29+
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 8.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
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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 9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061877
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H21F2NO/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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 9.70n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061877
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H21F2NO/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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 11.2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
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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 12n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061884
PNG
(8-Allyl-3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza-bi...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C23H25F2NO/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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 14n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50450529
PNG
(CHEMBL3084934)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCc1ccc(cc1)[N+]([O-])=O |TLB:9:7:25:2.3|
Show InChI InChI=1S/C30H32F2N2O3/c31-24-10-6-22(7-11-24)30(23-8-12-25(32)13-9-23)37-29-19-27-16-17-28(20-29)33(27)18-2-1-3-21-4-14-26(15-5-21)34(35)36/h4-15,27-30H,1-3,16-20H2/t27-,28+,29+
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 20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061885
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-butyl-8-aza-bi...)
Show SMILES CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:12:10:4:6.7|
Show InChI InChI=1S/C24H29F2NO/c1-2-3-14-27-21-12-13-22(27)16-23(15-21)28-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,21-24H,2-3,12-16H2,1H3
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 25n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061884
PNG
(8-Allyl-3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza-bi...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C23H25F2NO/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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 30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061881
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-cyclopropylmet...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC1CC1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C24H27F2NO/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)28-23-13-21-11-12-22(14-23)27(21)15-16-1-2-16/h3-10,16,21-24H,1-2,11-15H2
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 32.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50450532
PNG
(CHEMBL2308105)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCc1ccccc1 |r|
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/t27-,28+,29+
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 39n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061889
PNG
(3-[2,2-Bis-(4-fluoro-phenyl)-ethyl]-8-(3-phenyl-pr...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C29H31F2NO/c30-24-12-8-22(9-13-24)29(23-10-14-25(31)15-11-23)33-28-19-26-16-17-27(20-28)32(26)18-4-7-21-5-2-1-3-6-21/h1-3,5-6,8-15,26-29H,4,7,16-20H2
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 42n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061880
PNG
(1-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCn1ccc2ccccc12 |r,TLB:9:7:25:3.2|
Show InChI InChI=1S/C30H30F2N2O/c31-24-9-5-22(6-10-24)30(23-7-11-25(32)12-8-23)35-28-19-26-13-14-27(20-28)34(26)18-17-33-16-15-21-3-1-2-4-29(21)33/h1-12,15-16,26-28,30H,13-14,17-20H2/t26-,27+,28+
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 45n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061886
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[2-(4'-nitro-b...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(COCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:25:23:17:19.20|
Show InChI InChI=1S/C35H34F2N2O4/c36-29-11-5-27(6-12-29)35(28-7-13-30(37)14-8-28)43-34-21-32-17-18-33(22-34)38(32)19-20-42-23-24-1-3-25(4-2-24)26-9-15-31(16-10-26)39(40)41/h1-16,32-35H,17-23H2
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 57n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061876
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[3-(4-fluoro-p...)
Show SMILES Fc1ccc(CCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:16:14:8:10.11|
Show InChI InChI=1S/C29H30F3NO/c30-23-9-3-20(4-10-23)2-1-17-33-26-15-16-27(33)19-28(18-26)34-29(21-5-11-24(31)12-6-21)22-7-13-25(32)14-8-22/h3-14,26-29H,1-2,15-19H2
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 60.7n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
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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 71n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061879
PNG
(8-Benzyl-3-[2,2-bis-(4-fluoro-phenyl)-ethyl]-8-aza...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C27H27F2NO/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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 82n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061878
PNG
((E)-1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bic...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C(=O)\C=C\c1ccccc1 |r,TLB:9:7:25:2.3|
Show InChI InChI=1S/C29H27F2NO2/c30-23-11-7-21(8-12-23)29(22-9-13-24(31)14-10-22)34-27-18-25-15-16-26(19-27)32(25)28(33)17-6-20-4-2-1-3-5-20/h1-14,17,25-27,29H,15-16,18-19H2/b17-6+/t25-,26+,27-
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 86n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061878
PNG
((E)-1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bic...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C(=O)\C=C\c1ccccc1 |r,TLB:9:7:25:2.3|
Show InChI InChI=1S/C29H27F2NO2/c30-23-11-7-21(8-12-23)29(22-9-13-24(31)14-10-22)34-27-18-25-15-16-26(19-27)32(25)28(33)17-6-20-4-2-1-3-5-20/h1-14,17,25-27,29H,15-16,18-19H2/b17-6+/t25-,26+,27-
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 86.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50061878
PNG
((E)-1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bic...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C(=O)\C=C\c1ccccc1 |r,TLB:9:7:25:2.3|
Show InChI InChI=1S/C29H27F2NO2/c30-23-11-7-21(8-12-23)29(22-9-13-24(31)14-10-22)34-27-18-25-15-16-26(19-27)32(25)28(33)17-6-20-4-2-1-3-5-20/h1-14,17,25-27,29H,15-16,18-19H2/b17-6+/t25-,26+,27-
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 86.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Compound is evaluated for binding to Serotonin transporter using [3H]-Citalopram as radioligand in rat brain

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50061878
PNG
((E)-1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bic...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C(=O)\C=C\c1ccccc1 |r,TLB:9:7:25:2.3|
Show InChI InChI=1S/C29H27F2NO2/c30-23-11-7-21(8-12-23)29(22-9-13-24(31)14-10-22)34-27-18-25-15-16-26(19-27)32(25)28(33)17-6-20-4-2-1-3-5-20/h1-14,17,25-27,29H,15-16,18-19H2/b17-6+/t25-,26+,27-
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 86.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Compound was evaluated for binding to Norepinephrine Transporter (NET) using [3H]-desmethylimipramine as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50061878
PNG
((E)-1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bic...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C(=O)\C=C\c1ccccc1 |r,TLB:9:7:25:2.3|
Show InChI InChI=1S/C29H27F2NO2/c30-23-11-7-21(8-12-23)29(22-9-13-24(31)14-10-22)34-27-18-25-15-16-26(19-27)32(25)28(33)17-6-20-4-2-1-3-5-20/h1-14,17,25-27,29H,15-16,18-19H2/b17-6+/t25-,26+,27-
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 86.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061882
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(4-fluoro-benz...)
Show SMILES Fc1ccc(CN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:14:12:6:8.9|
Show InChI InChI=1S/C27H26F3NO/c28-21-7-1-18(2-8-21)17-31-24-13-14-25(31)16-26(15-24)32-27(19-3-9-22(29)10-4-19)20-5-11-23(30)12-6-20/h1-12,24-27H,13-17H2
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 96n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061883
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8,8-dimethyl-8-a...)
Show SMILES [I-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)[N+]2(C)C |r,TLB:10:8:26:3.4|
Show InChI InChI=1S/C22H26F2NO.HI/c1-25(2)19-11-12-20(25)14-21(13-19)26-22(15-3-7-17(23)8-4-15)16-5-9-18(24)10-6-16;/h3-10,19-22H,11-14H2,1-2H3;1H/q+1;/p-1/t19-,20+,21+;
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 108n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50061883
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8,8-dimethyl-8-a...)
Show SMILES [I-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)[N+]2(C)C |r,TLB:10:8:26:3.4|
Show InChI InChI=1S/C22H26F2NO.HI/c1-25(2)19-11-12-20(25)14-21(13-19)26-22(15-3-7-17(23)8-4-15)16-5-9-18(24)10-6-16;/h3-10,19-22H,11-14H2,1-2H3;1H/q+1;/p-1/t19-,20+,21+;
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 108n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061883
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8,8-dimethyl-8-a...)
Show SMILES [I-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)[N+]2(C)C |r,TLB:10:8:26:3.4|
Show InChI InChI=1S/C22H26F2NO.HI/c1-25(2)19-11-12-20(25)14-21(13-19)26-22(15-3-7-17(23)8-4-15)16-5-9-18(24)10-6-16;/h3-10,19-22H,11-14H2,1-2H3;1H/q+1;/p-1/t19-,20+,21+;
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 108n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50061884
PNG
(8-Allyl-3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza-bi...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C23H25F2NO/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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 126n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50061889
PNG
(3-[2,2-Bis-(4-fluoro-phenyl)-ethyl]-8-(3-phenyl-pr...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C29H31F2NO/c30-24-12-8-22(9-13-24)29(23-10-14-25(31)15-11-23)33-28-19-26-16-17-27(20-28)32(26)18-4-7-21-5-2-1-3-6-21/h1-3,5-6,8-15,26-29H,4,7,16-20H2
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 136n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50061881
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-cyclopropylmet...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC1CC1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C24H27F2NO/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)28-23-13-21-11-12-22(14-23)27(21)15-16-1-2-16/h3-10,16,21-24H,1-2,11-15H2
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 136n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50061877
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H21F2NO/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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 156n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061881
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-cyclopropylmet...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC1CC1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C24H27F2NO/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)28-23-13-21-11-12-22(14-23)27(21)15-16-1-2-16/h3-10,16,21-24H,1-2,11-15H2
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 180n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061882
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(4-fluoro-benz...)
Show SMILES Fc1ccc(CN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:14:12:6:8.9|
Show InChI InChI=1S/C27H26F3NO/c28-21-7-1-18(2-8-21)17-31-24-13-14-25(31)16-26(15-24)32-27(19-3-9-22(29)10-4-19)20-5-11-23(30)12-6-20/h1-12,24-27H,13-17H2
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 200n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061889
PNG
(3-[2,2-Bis-(4-fluoro-phenyl)-ethyl]-8-(3-phenyl-pr...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C29H31F2NO/c30-24-12-8-22(9-13-24)29(23-10-14-25(31)15-11-23)33-28-19-26-16-17-27(20-28)32(26)18-4-7-21-5-2-1-3-6-21/h1-3,5-6,8-15,26-29H,4,7,16-20H2
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 230n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50061885
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-butyl-8-aza-bi...)
Show SMILES CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:12:10:4:6.7|
Show InChI InChI=1S/C24H29F2NO/c1-2-3-14-27-21-12-13-22(27)16-23(15-21)28-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,21-24H,2-3,12-16H2,1H3
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 251n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061879
PNG
(8-Benzyl-3-[2,2-bis-(4-fluoro-phenyl)-ethyl]-8-aza...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C27H27F2NO/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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 290n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061885
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-butyl-8-aza-bi...)
Show SMILES CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:12:10:4:6.7|
Show InChI InChI=1S/C24H29F2NO/c1-2-3-14-27-21-12-13-22(27)16-23(15-21)28-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,21-24H,2-3,12-16H2,1H3
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 370n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50061889
PNG
(3-[2,2-Bis-(4-fluoro-phenyl)-ethyl]-8-(3-phenyl-pr...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C29H31F2NO/c30-24-12-8-22(9-13-24)29(23-10-14-25(31)15-11-23)33-28-19-26-16-17-27(20-28)32(26)18-4-7-21-5-2-1-3-6-21/h1-3,5-6,8-15,26-29H,4,7,16-20H2
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 375n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Compound is evaluated for binding to Serotonin transporter using [3H]-Citalopram as radioligand in rat brain

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50450532
PNG
(CHEMBL2308105)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCc1ccccc1 |r|
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/t27-,28+,29+
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 483n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50061882
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(4-fluoro-benz...)
Show SMILES Fc1ccc(CN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:14:12:6:8.9|
Show InChI InChI=1S/C27H26F3NO/c28-21-7-1-18(2-8-21)17-31-24-13-14-25(31)16-26(15-24)32-27(19-3-9-22(29)10-4-19)20-5-11-23(30)12-6-20/h1-12,24-27H,13-17H2
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 611n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061875
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-{2-[bis-(4-flu...)
Show SMILES Fc1ccc(cc1)C(OCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(F)cc1 |THB:10:11:17.16.18:13.14,19:17:11:13.14|
Show InChI InChI=1S/C35H33F4NO2/c36-27-9-1-23(2-10-27)34(24-3-11-28(37)12-4-24)41-20-19-40-31-17-18-32(40)22-33(21-31)42-35(25-5-13-29(38)14-6-25)26-7-15-30(39)16-8-26/h1-16,31-35H,17-22H2
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 634n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50450529
PNG
(CHEMBL3084934)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCc1ccc(cc1)[N+]([O-])=O |TLB:9:7:25:2.3|
Show InChI InChI=1S/C30H32F2N2O3/c31-24-10-6-22(7-11-24)30(23-8-12-25(32)13-9-23)37-29-19-27-16-17-28(20-29)33(27)18-2-1-3-21-4-14-26(15-5-21)34(35)36/h4-15,27-30H,1-3,16-20H2/t27-,28+,29+
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 650n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50061879
PNG
(8-Benzyl-3-[2,2-bis-(4-fluoro-phenyl)-ethyl]-8-aza...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C27H27F2NO/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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 773n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50061881
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-cyclopropylmet...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC1CC1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C24H27F2NO/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)28-23-13-21-11-12-22(14-23)27(21)15-16-1-2-16/h3-10,16,21-24H,1-2,11-15H2
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 1.19E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Compound is evaluated for binding to Serotonin transporter using [3H]-Citalopram as radioligand in rat brain

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061880
PNG
(1-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCn1ccc2ccccc12 |r,TLB:9:7:25:3.2|
Show InChI InChI=1S/C30H30F2N2O/c31-24-9-5-22(6-10-24)30(23-7-11-25(32)12-8-23)35-28-19-26-13-14-27(20-28)34(26)18-17-33-16-15-21-3-1-2-4-29(21)33/h1-12,15-16,26-28,30H,13-14,17-20H2/t26-,27+,28+
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 1.20E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50061885
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-butyl-8-aza-bi...)
Show SMILES CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:12:10:4:6.7|
Show InChI InChI=1S/C24H29F2NO/c1-2-3-14-27-21-12-13-22(27)16-23(15-21)28-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,21-24H,2-3,12-16H2,1H3
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 1.33E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Compound was evaluated for binding to Norepinephrine Transporter (NET) using [3H]-desmethylimipramine as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50061884
PNG
(8-Allyl-3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza-bi...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C23H25F2NO/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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 1.45E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Compound is evaluated for binding to Serotonin transporter using [3H]-Citalopram as radioligand in rat brain

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50061885
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-butyl-8-aza-bi...)
Show SMILES CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:12:10:4:6.7|
Show InChI InChI=1S/C24H29F2NO/c1-2-3-14-27-21-12-13-22(27)16-23(15-21)28-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,21-24H,2-3,12-16H2,1H3
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 1.73E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Compound is evaluated for binding to Serotonin transporter using [3H]-Citalopram as radioligand in rat brain

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061887
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2C=O)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C21H21F2NO2/c22-16-5-1-14(2-6-16)21(15-3-7-17(23)8-4-15)26-20-11-18-9-10-19(12-20)24(18)13-25/h1-8,13,18-21H,9-12H2
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 2.02E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50061879
PNG
(8-Benzyl-3-[2,2-bis-(4-fluoro-phenyl)-ethyl]-8-aza...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C27H27F2NO/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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 2.08E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Compound was evaluated for binding to Norepinephrine Transporter (NET) using [3H]-desmethylimipramine as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50061877
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H21F2NO/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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 2.10E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Compound is evaluated for binding to Serotonin transporter using [3H]-Citalopram as radioligand in rat brain

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061888
PNG
(1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo...)
Show SMILES CC(=O)N1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:11:9:3:5.6|
Show InChI InChI=1S/C22H23F2NO2/c1-14(26)25-19-10-11-20(25)13-21(12-19)27-22(15-2-6-17(23)7-3-15)16-4-8-18(24)9-5-16/h2-9,19-22H,10-13H2,1H3
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 2.34E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
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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 2.44E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Compound is evaluated for binding to Serotonin transporter using [3H]-Citalopram as radioligand in rat brain

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50061889
PNG
(3-[2,2-Bis-(4-fluoro-phenyl)-ethyl]-8-(3-phenyl-pr...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C29H31F2NO/c30-24-12-8-22(9-13-24)29(23-10-14-25(31)15-11-23)33-28-19-26-16-17-27(20-28)32(26)18-4-7-21-5-2-1-3-6-21/h1-3,5-6,8-15,26-29H,4,7,16-20H2
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 3.52E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Compound was evaluated for binding to Norepinephrine Transporter (NET) using [3H]-desmethylimipramine as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061888
PNG
(1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo...)
Show SMILES CC(=O)N1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:11:9:3:5.6|
Show InChI InChI=1S/C22H23F2NO2/c1-14(26)25-19-10-11-20(25)13-21(12-19)27-22(15-2-6-17(23)7-3-15)16-4-8-18(24)9-5-16/h2-9,19-22H,10-13H2,1H3
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 4.60E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50061881
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-cyclopropylmet...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC1CC1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C24H27F2NO/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)28-23-13-21-11-12-22(14-23)27(21)15-16-1-2-16/h3-10,16,21-24H,1-2,11-15H2
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 4.79E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Compound was evaluated for binding to Norepinephrine Transporter (NET) using [3H]-desmethylimipramine as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50061887
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2C=O)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C21H21F2NO2/c22-16-5-1-14(2-6-16)21(15-3-7-17(23)8-4-15)26-20-11-18-9-10-19(12-20)24(18)13-25/h1-8,13,18-21H,9-12H2
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 5.40E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50061884
PNG
(8-Allyl-3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza-bi...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C23H25F2NO/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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 5.92E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Compound was evaluated for binding to Norepinephrine Transporter (NET) using [3H]-desmethylimipramine as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50061877
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H21F2NO/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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>8.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Compound was evaluated for binding to Norepinephrine Transporter (NET).

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		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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>8.50E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Compound was evaluated for binding to Norepinephrine Transporter (NET) using [3H]-desmethylimipramine as radioligand

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50061887
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2C=O)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C21H21F2NO2/c22-16-5-1-14(2-6-16)21(15-3-7-17(23)8-4-15)26-20-11-18-9-10-19(12-20)24(18)13-25/h1-8,13,18-21H,9-12H2
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 1.23E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat

J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%