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PubMed code 10737741

Compile data set for download or QSAR
Found 50 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))		BDBM50107330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(4-phenyl-buty...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C30H33F2NO/c31-25-13-9-23(10-14-25)30(24-11-15-26(32)16-12-24)34-29-20-27-17-18-28(21-29)33(27)19-5-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-30H,4-5,8,17-21H2
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 8.51n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
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-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


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



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


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



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


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



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50107329
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[4-(4-nitro-ph...)
Show SMILES [O-][N+](=O)c1ccc(CCCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:19:17:11:13.14|
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
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 20.2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
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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 24.6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50086046
PNG
((S)1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...)
Show SMILES CC(C)[C@H](N)CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:14:12:6:8.9|
Show InChI InChI=1S/C25H32F2N2O/c1-16(2)24(28)15-29-21-11-12-22(29)14-23(13-21)30-25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h3-10,16,21-25H,11-15,28H2,1-2H3/t21?,22?,23?,24-/m1/s1
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 29.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50107327
PNG
(4-(4-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...)
Show SMILES Nc1ccc(CCCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:17:15:9:11.12|
Show InChI InChI=1S/C30H34F2N2O/c31-24-10-6-22(7-11-24)30(23-8-12-25(32)13-9-23)35-29-19-27-16-17-28(20-29)34(27)18-2-1-3-21-4-14-26(33)15-5-21/h4-15,27-30H,1-3,16-20,33H2
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 29.7n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
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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 29.9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50086050
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-but-3-enyl-8-a...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC=C)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C24H27F2NO/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/h2,4-11,21-24H,1,3,12-16H2
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 31.9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
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-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
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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 41.9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50175159
PNG
(3-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Show InChI InChI=1S/C30H30F2N2O/c31-23-9-5-20(6-10-23)30(21-7-11-24(32)12-8-21)35-27-17-25-13-14-26(18-27)34(25)16-15-22-19-33-29-4-2-1-3-28(22)29/h1-12,19,25-27,30,33H,13-18H2
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 44.6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50086042
PNG
((R)-1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bic...)
Show SMILES CC(C)[C@@H](N)CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:14:12:6:8.9|
Show InChI InChI=1S/C25H32F2N2O/c1-16(2)24(28)15-29-21-11-12-22(29)14-23(13-21)30-25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h3-10,16,21-25H,11-15,28H2,1-2H3/t21?,22?,23?,24-/m0/s1
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 56.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
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-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
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-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
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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 82.2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50086047
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(3-phenyl-ally...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2C\C=C\c1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C29H29F2NO/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/h1-15,26-29H,16-20H2/b7-4+
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 86.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
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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 95.6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50107327
PNG
(4-(4-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...)
Show SMILES Nc1ccc(CCCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:17:15:9:11.12|
Show InChI InChI=1S/C30H34F2N2O/c31-24-10-6-22(7-11-24)30(23-8-12-25(32)13-9-23)35-29-19-27-16-17-28(20-29)34(27)18-2-1-3-21-4-14-26(33)15-5-21/h4-15,27-30H,1-3,16-20,33H2
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 134n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
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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 177n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
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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 203n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50369792
PNG
(CHEMBL1907641)
Show SMILES [H]C12CCC([H])(CC(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@@H](CC)c1ccccc1 |r,TLB:9:7:25:3.2|
Show InChI InChI=1S/C30H33F2NO/c1-2-21(22-6-4-3-5-7-22)20-33-27-16-17-28(33)19-29(18-27)34-30(23-8-12-25(31)13-9-23)24-10-14-26(32)15-11-24/h3-15,21,27-30H,2,16-20H2,1H3/t21-,27?,28?,29?/m1/s1
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 228n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
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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 257n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Compound is tested for displacement of [3H]pirenzepine at Metabotropic glutamate receptor 1 in Rat brain homogenate.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50086050
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-but-3-enyl-8-a...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC=C)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C24H27F2NO/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/h2,4-11,21-24H,1,3,12-16H2
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 278n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50107329
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[4-(4-nitro-ph...)
Show SMILES [O-][N+](=O)c1ccc(CCCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:19:17:11:13.14|
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
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 299n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50369794
PNG
(CHEMBL1907826)
Show SMILES [H]C12CCC([H])(CC(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@@H](C)c1ccccc1 |r,TLB:9:7:25:3.2|
Show InChI InChI=1S/C29H31F2NO/c1-20(21-5-3-2-4-6-21)19-32-26-15-16-27(32)18-28(17-26)33-29(22-7-11-24(30)12-8-22)23-9-13-25(31)14-10-23/h2-14,20,26-29H,15-19H2,1H3/t20-,26?,27?,28?/m1/s1
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 301n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
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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 312n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Compound is tested for displacement of [3H]pirenzepine at Metabotropic glutamate receptor 1 in Rat brain homogenate.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50086049
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-naphthalen-1-y...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1cccc2ccccc12)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C31H29F2NO/c32-25-12-8-22(9-13-25)31(23-10-14-26(33)15-11-23)35-29-18-27-16-17-28(19-29)34(27)20-24-6-3-5-21-4-1-2-7-30(21)24/h1-15,27-29,31H,16-20H2
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 367n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50086045
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(3,4-dichloro-...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C27H25Cl2F2NO/c28-25-12-1-17(13-26(25)29)16-32-22-10-11-23(32)15-24(14-22)33-27(18-2-6-20(30)7-3-18)19-4-8-21(31)9-5-19/h1-9,12-13,22-24,27H,10-11,14-16H2
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 392n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50369793
PNG
(CHEMBL1907642)
Show SMILES [H]C12CCC([H])(CC(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@H](C)c1ccccc1 |r,TLB:9:7:25:3.2|
Show InChI InChI=1S/C29H31F2NO/c1-20(21-5-3-2-4-6-21)19-32-26-15-16-27(32)18-28(17-26)33-29(22-7-11-24(30)12-8-22)23-9-13-25(31)14-10-23/h2-14,20,26-29H,15-19H2,1H3/t20-,26?,27?,28?/m0/s1
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 392n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
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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 399n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50369795
PNG
(CHEMBL1907825)
Show SMILES [H]C12CCC([H])(CC(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@H](CC)c1ccccc1 |r,TLB:9:7:25:3.2|
Show InChI InChI=1S/C30H33F2NO/c1-2-21(22-6-4-3-5-7-22)20-33-27-16-17-28(33)19-29(18-27)34-30(23-8-12-25(31)13-9-23)24-10-14-26(32)15-11-24/h3-15,21,27-30H,2,16-20H2,1H3/t21-,27?,28?,29?/m0/s1
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 400n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50086047
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(3-phenyl-ally...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2C\C=C\c1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C29H29F2NO/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/h1-15,26-29H,16-20H2/b7-4+
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 401n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Compound is tested for displacement of [3H]pirenzepine at Metabotropic glutamate receptor 1 in Rat brain homogenate.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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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 460n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Compound is tested for displacement of [3H]pirenzepine at Metabotropic glutamate receptor 1 in Rat brain homogenate.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50369793
PNG
(CHEMBL1907642)
Show SMILES [H]C12CCC([H])(CC(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@H](C)c1ccccc1 |r,TLB:9:7:25:3.2|
Show InChI InChI=1S/C29H31F2NO/c1-20(21-5-3-2-4-6-21)19-32-26-15-16-27(32)18-28(17-26)33-29(22-7-11-24(30)12-8-22)23-9-13-25(31)14-10-23/h2-14,20,26-29H,15-19H2,1H3/t20-,26?,27?,28?/m0/s1
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 477n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


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



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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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 686n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Compound is tested for displacement of [3H]pirenzepine at Metabotropic glutamate receptor 1 in Rat brain homogenate.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
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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 1.03E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Compound is tested for displacement of [3H]pirenzepine at Metabotropic glutamate receptor 1 in Rat brain homogenate.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


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



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50369795
PNG
(CHEMBL1907825)
Show SMILES [H]C12CCC([H])(CC(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@H](CC)c1ccccc1 |r,TLB:9:7:25:3.2|
Show InChI InChI=1S/C30H33F2NO/c1-2-21(22-6-4-3-5-7-22)20-33-27-16-17-28(33)19-29(18-27)34-30(23-8-12-25(31)13-9-23)24-10-14-26(32)15-11-24/h3-15,21,27-30H,2,16-20H2,1H3/t21-,27?,28?,29?/m0/s1
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 1.44E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
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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 1.54E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Compound is tested for displacement of [3H]pirenzepine at Metabotropic glutamate receptor 1 in Rat brain homogenate.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50086049
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-naphthalen-1-y...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1cccc2ccccc12)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C31H29F2NO/c32-25-12-8-22(9-13-25)31(23-10-14-26(33)15-11-23)35-29-18-27-16-17-28(19-29)34(27)20-24-6-3-5-21-4-1-2-7-30(21)24/h1-15,27-29,31H,16-20H2
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 1.79E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50369794
PNG
(CHEMBL1907826)
Show SMILES [H]C12CCC([H])(CC(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@@H](C)c1ccccc1 |r,TLB:9:7:25:3.2|
Show InChI InChI=1S/C29H31F2NO/c1-20(21-5-3-2-4-6-21)19-32-26-15-16-27(32)18-28(17-26)33-29(22-7-11-24(30)12-8-22)23-9-13-25(31)14-10-23/h2-14,20,26-29H,15-19H2,1H3/t20-,26?,27?,28?/m1/s1
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 1.90E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50086042
PNG
((R)-1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bic...)
Show SMILES CC(C)[C@@H](N)CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:14:12:6:8.9|
Show InChI InChI=1S/C25H32F2N2O/c1-16(2)24(28)15-29-21-11-12-22(29)14-23(13-21)30-25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h3-10,16,21-25H,11-15,28H2,1-2H3/t21?,22?,23?,24-/m0/s1
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 2.18E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50369792
PNG
(CHEMBL1907641)
Show SMILES [H]C12CCC([H])(CC(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@@H](CC)c1ccccc1 |r,TLB:9:7:25:3.2|
Show InChI InChI=1S/C30H33F2NO/c1-2-21(22-6-4-3-5-7-22)20-33-27-16-17-28(33)19-29(18-27)34-30(23-8-12-25(31)13-9-23)24-10-14-26(32)15-11-24/h3-15,21,27-30H,2,16-20H2,1H3/t21-,27?,28?,29?/m1/s1
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 2.36E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50175159
PNG
(3-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Show InChI InChI=1S/C30H30F2N2O/c31-23-9-5-20(6-10-23)30(21-7-11-24(32)12-8-21)35-27-17-25-13-14-26(18-27)34(25)16-15-22-19-33-29-4-2-1-3-28(22)29/h1-12,19,25-27,30,33H,13-18H2
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PubMed
 3.28E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Compound is tested for displacement of [3H]pirenzepine at Metabotropic glutamate receptor 1 in Rat brain homogenate.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50086045
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(3,4-dichloro-...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C27H25Cl2F2NO/c28-25-12-1-17(13-26(25)29)16-32-22-10-11-23(32)15-24(14-22)33-27(18-2-6-20(30)7-3-18)19-4-8-21(31)9-5-19/h1-9,12-13,22-24,27H,10-11,14-16H2
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 3.88E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50086046
PNG
((S)1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...)
Show SMILES CC(C)[C@H](N)CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:14:12:6:8.9|
Show InChI InChI=1S/C25H32F2N2O/c1-16(2)24(28)15-29-21-11-12-22(29)14-23(13-21)30-25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h3-10,16,21-25H,11-15,28H2,1-2H3/t21?,22?,23?,24-/m1/s1
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 4.02E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.

J Med Chem 43: 1085-93 (2000)


BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%