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PubMed code 11689080

Compile data set for download or QSAR
Found 43 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)		BDBM50366775
PNG
(BENZTROPINE | Benzatropine)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+
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 0.590n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic receptor from rat brain membranes using [3H]pirenzepine

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM22167
PNG
(1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...)
Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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 3.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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 3.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50106316
PNG
(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-8-(3-p...)
Show SMILES Fc1ccc(cc1)C(OCCC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |TLB:10:11:18:14.15|
Show InChI InChI=1S/C31H35F2NO/c32-27-12-8-25(9-13-27)31(26-10-14-28(33)15-11-26)35-20-18-24-21-29-16-17-30(22-24)34(29)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29-31H,4,7,16-22H2
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 19n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50106320
PNG
(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylidene}-8...)
Show SMILES CN1C2CCC1CC(C2)=CCOC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C23H25F2NO/c1-26-21-10-11-22(26)15-16(14-21)12-13-27-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,12,21-23H,10-11,13-15H2,1H3
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 19n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50106314
PNG
(3-(2-Benzhydryloxy-ethyl)-8-(3-phenyl-propyl)-8-az...)
Show SMILES C(CN1C2CCC1CC(CCOC(c1ccccc1)c1ccccc1)C2)Cc1ccccc1 |THB:9:8:2:4.5|
Show InChI InChI=1S/C31H37NO/c1-4-11-25(12-5-1)13-10-21-32-29-18-19-30(32)24-26(23-29)20-22-33-31(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,11-12,14-17,26,29-31H,10,13,18-24H2
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 28n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50106321
PNG
(CHEMBL126992 | N-Benzhydryl-2-(8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(CC(=O)NC(c1ccccc1)c1ccccc1)C2 |TLB:0:1:7.25.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C23H28N2O/c1-25-20-12-13-21(25)15-17(14-20)16-22(26)24-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,23H,12-16H2,1H3,(H,24,26)
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 30n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50106319
PNG
(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-8-meth...)
Show SMILES CN1C2CCC1CC(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |THB:8:7:1:3.4|
Show InChI InChI=1S/C23H27F2NO/c1-26-21-10-11-22(26)15-16(14-21)12-13-27-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,16,21-23H,10-15H2,1H3
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 52n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50106318
PNG
(3-(2-Benzhydryloxy-ethyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES CN1C2CCC1CC(CCOC(c1ccccc1)c1ccccc1)C2 |THB:8:7:1:3.4|
Show InChI InChI=1S/C23H29NO/c1-24-21-12-13-22(24)17-18(16-21)14-15-25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-23H,12-17H2,1H3
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 56n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic receptor from rat brain membranes using [3H]pirenzepine

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50106314
PNG
(3-(2-Benzhydryloxy-ethyl)-8-(3-phenyl-propyl)-8-az...)
Show SMILES C(CN1C2CCC1CC(CCOC(c1ccccc1)c1ccccc1)C2)Cc1ccccc1 |THB:9:8:2:4.5|
Show InChI InChI=1S/C31H37NO/c1-4-11-25(12-5-1)13-10-21-32-29-18-19-30(32)24-26(23-29)20-22-33-31(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,11-12,14-17,26,29-31H,10,13,18-24H2
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 78n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic receptor from rat brain membranes using [3H]pirenzepine

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50106316
PNG
(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-8-(3-p...)
Show SMILES Fc1ccc(cc1)C(OCCC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |TLB:10:11:18:14.15|
Show InChI InChI=1S/C31H35F2NO/c32-27-12-8-25(9-13-27)31(26-10-14-28(33)15-11-26)35-20-18-24-21-29-16-17-30(22-24)34(29)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29-31H,4,7,16-22H2
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 79n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50106315
PNG
(3-(2-Benzhydryloxy-ethylidene)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)=CCOC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C23H27NO/c1-24-21-12-13-22(24)17-18(16-21)14-15-25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14,21-23H,12-13,15-17H2,1H3
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 94n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic receptor from rat brain membranes using [3H]pirenzepine

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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 130n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50106315
PNG
(3-(2-Benzhydryloxy-ethylidene)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)=CCOC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C23H27NO/c1-24-21-12-13-22(24)17-18(16-21)14-15-25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14,21-23H,12-13,15-17H2,1H3
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 130n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50106319
PNG
(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-8-meth...)
Show SMILES CN1C2CCC1CC(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |THB:8:7:1:3.4|
Show InChI InChI=1S/C23H27F2NO/c1-26-21-10-11-22(26)15-16(14-21)12-13-27-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,16,21-23H,10-15H2,1H3
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 130n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic receptor from rat brain membranes using [3H]pirenzepine

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50106314
PNG
(3-(2-Benzhydryloxy-ethyl)-8-(3-phenyl-propyl)-8-az...)
Show SMILES C(CN1C2CCC1CC(CCOC(c1ccccc1)c1ccccc1)C2)Cc1ccccc1 |THB:9:8:2:4.5|
Show InChI InChI=1S/C31H37NO/c1-4-11-25(12-5-1)13-10-21-32-29-18-19-30(32)24-26(23-29)20-22-33-31(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-9,11-12,14-17,26,29-31H,10,13,18-24H2
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 170n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50106316
PNG
(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-8-(3-p...)
Show SMILES Fc1ccc(cc1)C(OCCC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |TLB:10:11:18:14.15|
Show InChI InChI=1S/C31H35F2NO/c32-27-12-8-25(9-13-27)31(26-10-14-28(33)15-11-26)35-20-18-24-21-29-16-17-30(22-24)34(29)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29-31H,4,7,16-22H2
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 170n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic receptor from rat brain membranes using [3H]pirenzepine

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50106320
PNG
(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylidene}-8...)
Show SMILES CN1C2CCC1CC(C2)=CCOC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C23H25F2NO/c1-26-21-10-11-22(26)15-16(14-21)12-13-27-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,12,21-23H,10-11,13-15H2,1H3
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 200n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic receptor from rat brain membranes using [3H]pirenzepine

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50366775
PNG
(BENZTROPINE | Benzatropine)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+
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 237n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50106323
PNG
(CHEMBL339951 | [Bis-(4-fluoro-phenyl)-methyl]-[2-(...)
Show SMILES CN1C2CCC1CC(CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |TLB:0:1:3.4:26.6.7,THB:8:7:1:3.4|
Show InChI InChI=1S/C23H28F2N2/c1-27-21-10-11-22(27)15-16(14-21)12-13-26-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,16,21-23,26H,10-15H2,1H3
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 270n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50106318
PNG
(3-(2-Benzhydryloxy-ethyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES CN1C2CCC1CC(CCOC(c1ccccc1)c1ccccc1)C2 |THB:8:7:1:3.4|
Show InChI InChI=1S/C23H29NO/c1-24-21-12-13-22(24)17-18(16-21)14-15-25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-23H,12-17H2,1H3
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 280n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50106312
PNG
(Benzhydryl-[2-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-...)
Show SMILES CN1C2CCC1CC(CCNC(c1ccccc1)c1ccccc1)C2 |TLB:0:1:3.4:24.6.7,THB:8:7:1:3.4|
Show InChI InChI=1S/C23H30N2/c1-25-21-12-13-22(25)17-18(16-21)14-15-24-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-24H,12-17H2,1H3
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 340n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic receptor from rat brain membranes using [3H]pirenzepine

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50106317
PNG
(CHEMBL339614 | N-[Bis-(4-fluoro-phenyl)-methyl]-2-...)
Show SMILES CN1C2CCC1CC(C2)=CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:0:1:7.8.6:3.4,THB:9:7:1:3.4|
Show InChI InChI=1S/C23H24F2N2O/c1-27-20-10-11-21(27)13-15(12-20)14-22(28)26-23(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-9,14,20-21,23H,10-13H2,1H3,(H,26,28)
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 500n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM22167
PNG
(1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...)
Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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 620n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50106323
PNG
(CHEMBL339951 | [Bis-(4-fluoro-phenyl)-methyl]-[2-(...)
Show SMILES CN1C2CCC1CC(CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |TLB:0:1:3.4:26.6.7,THB:8:7:1:3.4|
Show InChI InChI=1S/C23H28F2N2/c1-27-21-10-11-22(27)15-16(14-21)12-13-26-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,16,21-23,26H,10-15H2,1H3
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 630n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic receptor from rat brain membranes using [3H]pirenzepine

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50106321
PNG
(CHEMBL126992 | N-Benzhydryl-2-(8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(CC(=O)NC(c1ccccc1)c1ccccc1)C2 |TLB:0:1:7.25.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C23H28N2O/c1-25-20-12-13-21(25)15-17(14-20)16-22(26)24-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,23H,12-16H2,1H3,(H,24,26)
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 1.20E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic receptor from rat brain membranes using [3H]pirenzepine

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50106313
PNG
(CHEMBL127053 | N-[Bis-(4-fluoro-phenyl)-methyl]-2-...)
Show SMILES CN1C2CCC1CC(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |TLB:0:1:7.27.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C23H26F2N2O/c1-27-20-10-11-21(27)13-15(12-20)14-22(28)26-23(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-9,15,20-21,23H,10-14H2,1H3,(H,26,28)
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 1.20E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic receptor from rat brain membranes using [3H]pirenzepine

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50106322
PNG
(CHEMBL415721 | N-Benzhydryl-2-(8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)=CC(=O)NC(c1ccccc1)c1ccccc1 |TLB:0:1:7.8.6:3.4,THB:9:7:1:3.4|
Show InChI InChI=1S/C23H26N2O/c1-25-20-12-13-21(25)15-17(14-20)16-22(26)24-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,20-21,23H,12-15H2,1H3,(H,24,26)
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 1.70E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic receptor from rat brain membranes using [3H]pirenzepine

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50106322
PNG
(CHEMBL415721 | N-Benzhydryl-2-(8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)=CC(=O)NC(c1ccccc1)c1ccccc1 |TLB:0:1:7.8.6:3.4,THB:9:7:1:3.4|
Show InChI InChI=1S/C23H26N2O/c1-25-20-12-13-21(25)15-17(14-20)16-22(26)24-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,20-21,23H,12-15H2,1H3,(H,24,26)
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 2.30E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50106317
PNG
(CHEMBL339614 | N-[Bis-(4-fluoro-phenyl)-methyl]-2-...)
Show SMILES CN1C2CCC1CC(C2)=CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:0:1:7.8.6:3.4,THB:9:7:1:3.4|
Show InChI InChI=1S/C23H24F2N2O/c1-27-20-10-11-21(27)13-15(12-20)14-22(28)26-23(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-9,14,20-21,23H,10-13H2,1H3,(H,26,28)
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 2.50E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic receptor from rat brain membranes using [3H]pirenzepine

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50106313
PNG
(CHEMBL127053 | N-[Bis-(4-fluoro-phenyl)-methyl]-2-...)
Show SMILES CN1C2CCC1CC(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |TLB:0:1:7.27.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C23H26F2N2O/c1-27-20-10-11-21(27)13-15(12-20)14-22(28)26-23(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-9,15,20-21,23H,10-14H2,1H3,(H,26,28)
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 3.40E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50106320
PNG
(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylidene}-8...)
Show SMILES CN1C2CCC1CC(C2)=CCOC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C23H25F2NO/c1-26-21-10-11-22(26)15-16(14-21)12-13-27-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,12,21-23H,10-11,13-15H2,1H3
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 3.60E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50106312
PNG
(Benzhydryl-[2-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-...)
Show SMILES CN1C2CCC1CC(CCNC(c1ccccc1)c1ccccc1)C2 |TLB:0:1:3.4:24.6.7,THB:8:7:1:3.4|
Show InChI InChI=1S/C23H30N2/c1-25-21-12-13-22(25)17-18(16-21)14-15-24-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-24H,12-17H2,1H3
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 3.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50106319
PNG
(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-8-meth...)
Show SMILES CN1C2CCC1CC(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |THB:8:7:1:3.4|
Show InChI InChI=1S/C23H27F2NO/c1-26-21-10-11-22(26)15-16(14-21)12-13-27-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,16,21-23H,10-15H2,1H3
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 4.10E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50366775
PNG
(BENZTROPINE | Benzatropine)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+
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 5.15E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50106315
PNG
(3-(2-Benzhydryloxy-ethylidene)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)=CCOC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C23H27NO/c1-24-21-12-13-22(24)17-18(16-21)14-15-25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14,21-23H,12-13,15-17H2,1H3
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 8.30E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50106318
PNG
(3-(2-Benzhydryloxy-ethyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES CN1C2CCC1CC(CCOC(c1ccccc1)c1ccccc1)C2 |THB:8:7:1:3.4|
Show InChI InChI=1S/C23H29NO/c1-24-21-12-13-22(24)17-18(16-21)14-15-25-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-23H,12-17H2,1H3
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 1.50E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50106317
PNG
(CHEMBL339614 | N-[Bis-(4-fluoro-phenyl)-methyl]-2-...)
Show SMILES CN1C2CCC1CC(C2)=CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:0:1:7.8.6:3.4,THB:9:7:1:3.4|
Show InChI InChI=1S/C23H24F2N2O/c1-27-20-10-11-21(27)13-15(12-20)14-22(28)26-23(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-9,14,20-21,23H,10-13H2,1H3,(H,26,28)
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 1.90E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50106323
PNG
(CHEMBL339951 | [Bis-(4-fluoro-phenyl)-methyl]-[2-(...)
Show SMILES CN1C2CCC1CC(CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |TLB:0:1:3.4:26.6.7,THB:8:7:1:3.4|
Show InChI InChI=1S/C23H28F2N2/c1-27-21-10-11-22(27)15-16(14-21)12-13-26-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,16,21-23,26H,10-15H2,1H3
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 3.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50106312
PNG
(Benzhydryl-[2-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-...)
Show SMILES CN1C2CCC1CC(CCNC(c1ccccc1)c1ccccc1)C2 |TLB:0:1:3.4:24.6.7,THB:8:7:1:3.4|
Show InChI InChI=1S/C23H30N2/c1-25-21-12-13-22(25)17-18(16-21)14-15-24-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-24H,12-17H2,1H3
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 4.30E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50106313
PNG
(CHEMBL127053 | N-[Bis-(4-fluoro-phenyl)-methyl]-2-...)
Show SMILES CN1C2CCC1CC(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |TLB:0:1:7.27.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C23H26F2N2O/c1-27-20-10-11-21(27)13-15(12-20)14-22(28)26-23(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-9,15,20-21,23H,10-14H2,1H3,(H,26,28)
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 6.90E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50106322
PNG
(CHEMBL415721 | N-Benzhydryl-2-(8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)=CC(=O)NC(c1ccccc1)c1ccccc1 |TLB:0:1:7.8.6:3.4,THB:9:7:1:3.4|
Show InChI InChI=1S/C23H26N2O/c1-25-20-12-13-21(25)15-17(14-20)16-22(26)24-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,20-21,23H,12-15H2,1H3,(H,24,26)
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 7.80E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50106321
PNG
(CHEMBL126992 | N-Benzhydryl-2-(8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(CC(=O)NC(c1ccccc1)c1ccccc1)C2 |TLB:0:1:7.25.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C23H28N2O/c1-25-20-12-13-21(25)15-17(14-20)16-22(26)24-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,23H,12-16H2,1H3,(H,24,26)
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 1.20E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter using [125]RTI-55

J Med Chem 44: 3937-45 (2001)


BindingDB Entry DOI: 10.7270/Q26Q1XZT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%