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PubMed code 11334571

Compile data set for download or QSAR
Found 79 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 serotonin transporter


(Rattus norvegicus (rat))		BDBM50095137
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H42Cl2N4O2/c1-36-18-14-26(22-6-10-24(32)11-7-22)28(20-36)30(38)34-16-4-3-5-17-35-31(39)29-21-37(2)19-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3,(H,34,38)(H,35,39)/t26-,27-,28+,29+/m0/s1
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 1.20n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099300
PNG
(3N-{8-[4-(4-chlorophenyl)-1-methyl-(3S,4R)-hexahyd...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H48Cl2N4O2/c1-39-21-17-29(25-9-13-27(35)14-10-25)31(23-39)33(41)37-19-7-5-3-4-6-8-20-38-34(42)32-24-40(2)22-18-30(32)26-11-15-28(36)16-12-26/h9-16,29-32H,3-8,17-24H2,1-2H3,(H,37,41)(H,38,42)/t29-,30-,31+,32+/m0/s1
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 2.10n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099299
PNG
(3N-{5-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H42Cl2N4O2/c1-36-18-14-26(22-6-10-24(32)11-7-22)28(20-36)30(38)34-16-4-3-5-17-35-31(39)29-21-37(2)19-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3,(H,34,38)(H,35,39)/t26-,27-,28+,29+/m1/s1
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 7n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099292
PNG
(3N-{3-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H38Cl2N4O2/c1-34-16-12-24(20-4-8-22(30)9-5-20)26(18-34)28(36)32-14-3-15-33-29(37)27-19-35(2)17-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,25-,26+,27+/m1/s1
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 8.40n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099292
PNG
(3N-{3-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H38Cl2N4O2/c1-34-16-12-24(20-4-8-22(30)9-5-20)26(18-34)28(36)32-14-3-15-33-29(37)27-19-35(2)17-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,25-,26+,27+/m1/s1
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 14n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099294
PNG
(5-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahydro-3...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H40Cl2N2O4/c1-34-16-14-26(22-6-10-24(32)11-7-22)28(20-34)30(36)38-18-4-3-5-19-39-31(37)29-21-35(2)17-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3/t26-,27-,28+,29+/m1/s1
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 25n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099293
PNG
(3N-{4-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H40Cl2N4O2/c1-35-17-13-25(21-5-9-23(31)10-6-21)27(19-35)29(37)33-15-3-4-16-34-30(38)28-20-36(2)18-14-26(28)22-7-11-24(32)12-8-22/h5-12,25-28H,3-4,13-20H2,1-2H3,(H,33,37)(H,34,38)/t25-,26-,27+,28+/m1/s1
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 33n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099299
PNG
(3N-{5-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H42Cl2N4O2/c1-36-18-14-26(22-6-10-24(32)11-7-22)28(20-36)30(38)34-16-4-3-5-17-35-31(39)29-21-37(2)19-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3,(H,34,38)(H,35,39)/t26-,27-,28+,29+/m1/s1
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 39n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099297
PNG
(3N-{7-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H46Cl2N4O2/c1-38-20-16-28(24-8-12-26(34)13-9-24)30(22-38)32(40)36-18-6-4-3-5-7-19-37-33(41)31-23-39(2)21-17-29(31)25-10-14-27(35)15-11-25/h8-15,28-31H,3-7,16-23H2,1-2H3,(H,36,40)(H,37,41)/t28-,29-,30+,31+/m1/s1
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 40n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099294
PNG
(5-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahydro-3...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H40Cl2N2O4/c1-34-16-14-26(22-6-10-24(32)11-7-22)28(20-34)30(36)38-18-4-3-5-19-39-31(37)29-21-35(2)17-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3/t26-,27-,28+,29+/m1/s1
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 56n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099298
PNG
(3N-{8-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H48Cl2N4O2/c1-39-21-17-29(25-9-13-27(35)14-10-25)31(23-39)33(41)37-19-7-5-3-4-6-8-20-38-34(42)32-24-40(2)22-18-30(32)26-11-15-28(36)16-12-26/h9-16,29-32H,3-8,17-24H2,1-2H3,(H,37,41)(H,38,42)/t29-,30-,31+,32+/m1/s1
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 56n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099284
PNG
(3N-{6-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H44Cl2N4O2/c1-37-19-15-27(23-7-11-25(33)12-8-23)29(21-37)31(39)35-17-5-3-4-6-18-36-32(40)30-22-38(2)20-16-28(30)24-9-13-26(34)14-10-24/h7-14,27-30H,3-6,15-22H2,1-2H3,(H,35,39)(H,36,40)/t27-,28-,29+,30+/m1/s1
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 60n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099294
PNG
(5-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahydro-3...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H40Cl2N2O4/c1-34-16-14-26(22-6-10-24(32)11-7-22)28(20-34)30(36)38-18-4-3-5-19-39-31(37)29-21-35(2)17-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3/t26-,27-,28+,29+/m1/s1
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 64n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099285
PNG
(3-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahydro-3...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)OCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H36Cl2N2O4/c1-32-14-12-24(20-4-8-22(30)9-5-20)26(18-32)28(34)36-16-3-17-37-29(35)27-19-33(2)15-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3/t24-,25-,26+,27+/m1/s1
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 68n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099284
PNG
(3N-{6-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H44Cl2N4O2/c1-37-19-15-27(23-7-11-25(33)12-8-23)29(21-37)31(39)35-17-5-3-4-6-18-36-32(40)30-22-38(2)20-16-28(30)24-9-13-26(34)14-10-24/h7-14,27-30H,3-6,15-22H2,1-2H3,(H,35,39)(H,36,40)/t27-,28-,29+,30+/m1/s1
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 75n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099293
PNG
(3N-{4-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H40Cl2N4O2/c1-35-17-13-25(21-5-9-23(31)10-6-21)27(19-35)29(37)33-15-3-4-16-34-30(38)28-20-36(2)18-14-26(28)22-7-11-24(32)12-8-22/h5-12,25-28H,3-4,13-20H2,1-2H3,(H,33,37)(H,34,38)/t25-,26-,27+,28+/m1/s1
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 81n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099288
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13+/m1/s1
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 90n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099299
PNG
(3N-{5-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H42Cl2N4O2/c1-36-18-14-26(22-6-10-24(32)11-7-22)28(20-36)30(38)34-16-4-3-5-17-35-31(39)29-21-37(2)19-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3,(H,34,38)(H,35,39)/t26-,27-,28+,29+/m1/s1
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 103n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099293
PNG
(3N-{4-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H40Cl2N4O2/c1-35-17-13-25(21-5-9-23(31)10-6-21)27(19-35)29(37)33-15-3-4-16-34-30(38)28-20-36(2)18-14-26(28)22-7-11-24(32)12-8-22/h5-12,25-28H,3-4,13-20H2,1-2H3,(H,33,37)(H,34,38)/t25-,26-,27+,28+/m1/s1
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 104n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099285
PNG
(3-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahydro-3...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)OCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H36Cl2N2O4/c1-32-14-12-24(20-4-8-22(30)9-5-20)26(18-32)28(34)36-16-3-17-37-29(35)27-19-33(2)15-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3/t24-,25-,26+,27+/m1/s1
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 108n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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 108n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099289
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)\C=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33Cl2N3O2/c1-32-18-15-24(21-8-12-23(29)13-9-21)25(19-32)27(34)31-17-4-2-3-16-30-26(33)14-7-20-5-10-22(28)11-6-20/h5-14,24-25H,2-4,15-19H2,1H3,(H,30,33)(H,31,34)/b14-7+/t24-,25+/m1/s1
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 133n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099290
PNG
(8-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahydro-3...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H46Cl2N2O4/c1-37-19-17-29(25-9-13-27(35)14-10-25)31(23-37)33(39)41-21-7-5-3-4-6-8-22-42-34(40)32-24-38(2)20-18-30(32)26-11-15-28(36)16-12-26/h9-16,29-32H,3-8,17-24H2,1-2H3/t29-,30-,31+,32+/m1/s1
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 142n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099292
PNG
(3N-{3-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H38Cl2N4O2/c1-34-16-12-24(20-4-8-22(30)9-5-20)26(18-34)28(36)32-14-3-15-33-29(37)27-19-35(2)17-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,25-,26+,27+/m1/s1
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 146n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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 155n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099299
PNG
(3N-{5-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H42Cl2N4O2/c1-36-18-14-26(22-6-10-24(32)11-7-22)28(20-36)30(38)34-16-4-3-5-17-35-31(39)29-21-37(2)19-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3,(H,34,38)(H,35,39)/t26-,27-,28+,29+/m1/s1
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 158n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099291
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H31Cl2N3O2/c1-30-16-13-22(18-5-9-20(26)10-6-18)23(17-30)25(32)29-15-4-2-3-14-28-24(31)19-7-11-21(27)12-8-19/h5-12,22-23H,2-4,13-17H2,1H3,(H,28,31)(H,29,32)/t22-,23+/m1/s1
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 159n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099290
PNG
(8-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahydro-3...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H46Cl2N2O4/c1-37-19-17-29(25-9-13-27(35)14-10-25)31(23-37)33(39)41-21-7-5-3-4-6-8-22-42-34(40)32-24-38(2)20-18-30(32)26-11-15-28(36)16-12-26/h9-16,29-32H,3-8,17-24H2,1-2H3/t29-,30-,31+,32+/m1/s1
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 175n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099294
PNG
(5-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahydro-3...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H40Cl2N2O4/c1-34-16-14-26(22-6-10-24(32)11-7-22)28(20-34)30(36)38-18-4-3-5-19-39-31(37)29-21-35(2)17-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3/t26-,27-,28+,29+/m1/s1
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 182n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099297
PNG
(3N-{7-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H46Cl2N4O2/c1-38-20-16-28(24-8-12-26(34)13-9-24)30(22-38)32(40)36-18-6-4-3-5-7-19-37-33(41)31-23-39(2)21-17-29(31)25-10-14-27(35)15-11-25/h8-15,28-31H,3-7,16-23H2,1-2H3,(H,36,40)(H,37,41)/t28-,29-,30+,31+/m1/s1
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 190n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099291
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H31Cl2N3O2/c1-30-16-13-22(18-5-9-20(26)10-6-18)23(17-30)25(32)29-15-4-2-3-14-28-24(31)19-7-11-21(27)12-8-19/h5-12,22-23H,2-4,13-17H2,1H3,(H,28,31)(H,29,32)/t22-,23+/m1/s1
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 194n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099288
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13+/m1/s1
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 228n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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 230n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099296
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13+/m0/s1
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 242n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099289
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)\C=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33Cl2N3O2/c1-32-18-15-24(21-8-12-23(29)13-9-21)25(19-32)27(34)31-17-4-2-3-16-30-26(33)14-7-20-5-10-22(28)11-6-20/h5-14,24-25H,2-4,15-19H2,1H3,(H,30,33)(H,31,34)/b14-7+/t24-,25+/m1/s1
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 246n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099288
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13+/m1/s1
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 248n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099289
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)\C=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33Cl2N3O2/c1-32-18-15-24(21-8-12-23(29)13-9-21)25(19-32)27(34)31-17-4-2-3-16-30-26(33)14-7-20-5-10-22(28)11-6-20/h5-14,24-25H,2-4,15-19H2,1H3,(H,30,33)(H,31,34)/b14-7+/t24-,25+/m1/s1
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 253n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099291
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H31Cl2N3O2/c1-30-16-13-22(18-5-9-20(26)10-6-18)23(17-30)25(32)29-15-4-2-3-14-28-24(31)19-7-11-21(27)12-8-19/h5-12,22-23H,2-4,13-17H2,1H3,(H,28,31)(H,29,32)/t22-,23+/m1/s1
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 256n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099298
PNG
(3N-{8-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H48Cl2N4O2/c1-39-21-17-29(25-9-13-27(35)14-10-25)31(23-39)33(41)37-19-7-5-3-4-6-8-20-38-34(42)32-24-40(2)22-18-30(32)26-11-15-28(36)16-12-26/h9-16,29-32H,3-8,17-24H2,1-2H3,(H,37,41)(H,38,42)/t29-,30-,31+,32+/m1/s1
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 294n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099285
PNG
(3-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahydro-3...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)OCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H36Cl2N2O4/c1-32-14-12-24(20-4-8-22(30)9-5-20)26(18-32)28(34)36-16-3-17-37-29(35)27-19-33(2)15-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3/t24-,25-,26+,27+/m1/s1
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 340n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099298
PNG
(3N-{8-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H48Cl2N4O2/c1-39-21-17-29(25-9-13-27(35)14-10-25)31(23-39)33(41)37-19-7-5-3-4-6-8-20-38-34(42)32-24-40(2)22-18-30(32)26-11-15-28(36)16-12-26/h9-16,29-32H,3-8,17-24H2,1-2H3,(H,37,41)(H,38,42)/t29-,30-,31+,32+/m1/s1
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 341n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099283
PNG
(3N-{3-[4-(4-chlorophenyl)-1-methyl-(3S,4R)-hexahyd...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H38Cl2N4O2/c1-34-16-12-24(20-4-8-22(30)9-5-20)26(18-34)28(36)32-14-3-15-33-29(37)27-19-35(2)17-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,25-,26+,27+/m0/s1
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 342n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099297
PNG
(3N-{7-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H46Cl2N4O2/c1-38-20-16-28(24-8-12-26(34)13-9-24)30(22-38)32(40)36-18-6-4-3-5-7-19-37-33(41)31-23-39(2)21-17-29(31)25-10-14-27(35)15-11-25/h8-15,28-31H,3-7,16-23H2,1-2H3,(H,36,40)(H,37,41)/t28-,29-,30+,31+/m1/s1
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 348n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099283
PNG
(3N-{3-[4-(4-chlorophenyl)-1-methyl-(3S,4R)-hexahyd...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H38Cl2N4O2/c1-34-16-12-24(20-4-8-22(30)9-5-20)26(18-34)28(36)32-14-3-15-33-29(37)27-19-35(2)17-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,25-,26+,27+/m0/s1
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 373n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50095137
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H42Cl2N4O2/c1-36-18-14-26(22-6-10-24(32)11-7-22)28(20-36)30(38)34-16-4-3-5-17-35-31(39)29-21-37(2)19-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3,(H,34,38)(H,35,39)/t26-,27-,28+,29+/m0/s1
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 393n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099297
PNG
(3N-{7-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H46Cl2N4O2/c1-38-20-16-28(24-8-12-26(34)13-9-24)30(22-38)32(40)36-18-6-4-3-5-7-19-37-33(41)31-23-39(2)21-17-29(31)25-10-14-27(35)15-11-25/h8-15,28-31H,3-7,16-23H2,1-2H3,(H,36,40)(H,37,41)/t28-,29-,30+,31+/m1/s1
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 394n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099284
PNG
(3N-{6-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H44Cl2N4O2/c1-37-19-15-27(23-7-11-25(33)12-8-23)29(21-37)31(39)35-17-5-3-4-6-18-36-32(40)30-22-38(2)20-16-28(30)24-9-13-26(34)14-10-24/h7-14,27-30H,3-6,15-22H2,1-2H3,(H,35,39)(H,36,40)/t27-,28-,29+,30+/m1/s1
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 402n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099295
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H32ClN3O2/c1-29-17-14-22(19-10-12-21(26)13-11-19)23(18-29)25(31)28-16-7-3-6-15-27-24(30)20-8-4-2-5-9-20/h2,4-5,8-13,22-23H,3,6-7,14-18H2,1H3,(H,27,30)(H,28,31)/t22-,23+/m1/s1
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 409n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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 423n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099295
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H32ClN3O2/c1-29-17-14-22(19-10-12-21(26)13-11-19)23(18-29)25(31)28-16-7-3-6-15-27-24(30)20-8-4-2-5-9-20/h2,4-5,8-13,22-23H,3,6-7,14-18H2,1H3,(H,27,30)(H,28,31)/t22-,23+/m1/s1
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 465n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099295
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H32ClN3O2/c1-29-17-14-22(19-10-12-21(26)13-11-19)23(18-29)25(31)28-16-7-3-6-15-27-24(30)20-8-4-2-5-9-20/h2,4-5,8-13,22-23H,3,6-7,14-18H2,1H3,(H,27,30)(H,28,31)/t22-,23+/m1/s1
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 494n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099293
PNG
(3N-{4-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H40Cl2N4O2/c1-35-17-13-25(21-5-9-23(31)10-6-21)27(19-35)29(37)33-15-3-4-16-34-30(38)28-20-36(2)18-14-26(28)22-7-11-24(32)12-8-22/h5-12,25-28H,3-4,13-20H2,1-2H3,(H,33,37)(H,34,38)/t25-,26-,27+,28+/m1/s1
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 534n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099291
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H31Cl2N3O2/c1-30-16-13-22(18-5-9-20(26)10-6-18)23(17-30)25(32)29-15-4-2-3-14-28-24(31)19-7-11-21(27)12-8-19/h5-12,22-23H,2-4,13-17H2,1H3,(H,28,31)(H,29,32)/t22-,23+/m1/s1
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 551n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099292
PNG
(3N-{3-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H38Cl2N4O2/c1-34-16-12-24(20-4-8-22(30)9-5-20)26(18-34)28(36)32-14-3-15-33-29(37)27-19-35(2)17-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,25-,26+,27+/m1/s1
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 566n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099284
PNG
(3N-{6-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H44Cl2N4O2/c1-37-19-15-27(23-7-11-25(33)12-8-23)29(21-37)31(39)35-17-5-3-4-6-18-36-32(40)30-22-38(2)20-16-28(30)24-9-13-26(34)14-10-24/h7-14,27-30H,3-6,15-22H2,1-2H3,(H,35,39)(H,36,40)/t27-,28-,29+,30+/m1/s1
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 579n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099290
PNG
(8-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahydro-3...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H46Cl2N2O4/c1-37-19-17-29(25-9-13-27(35)14-10-25)31(23-37)33(39)41-21-7-5-3-4-6-8-22-42-34(40)32-24-38(2)20-18-30(32)26-11-15-28(36)16-12-26/h9-16,29-32H,3-8,17-24H2,1-2H3/t29-,30-,31+,32+/m1/s1
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 658n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099285
PNG
(3-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahydro-3...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)OCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H36Cl2N2O4/c1-32-14-12-24(20-4-8-22(30)9-5-20)26(18-32)28(34)36-16-3-17-37-29(35)27-19-33(2)15-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3/t24-,25-,26+,27+/m1/s1
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 730n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099290
PNG
(8-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahydro-3...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H46Cl2N2O4/c1-37-19-17-29(25-9-13-27(35)14-10-25)31(23-37)33(39)41-21-7-5-3-4-6-8-22-42-34(40)32-24-38(2)20-18-30(32)26-11-15-28(36)16-12-26/h9-16,29-32H,3-8,17-24H2,1-2H3/t29-,30-,31+,32+/m1/s1
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 920n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099300
PNG
(3N-{8-[4-(4-chlorophenyl)-1-methyl-(3S,4R)-hexahyd...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H48Cl2N4O2/c1-39-21-17-29(25-9-13-27(35)14-10-25)31(23-39)33(41)37-19-7-5-3-4-6-8-20-38-34(42)32-24-40(2)22-18-30(32)26-11-15-28(36)16-12-26/h9-16,29-32H,3-8,17-24H2,1-2H3,(H,37,41)(H,38,42)/t29-,30-,31+,32+/m0/s1
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 1.04E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099289
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)\C=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33Cl2N3O2/c1-32-18-15-24(21-8-12-23(29)13-9-21)25(19-32)27(34)31-17-4-2-3-16-30-26(33)14-7-20-5-10-22(28)11-6-20/h5-14,24-25H,2-4,15-19H2,1H3,(H,30,33)(H,31,34)/b14-7+/t24-,25+/m1/s1
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 1.08E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099295
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H32ClN3O2/c1-29-17-14-22(19-10-12-21(26)13-11-19)23(18-29)25(31)28-16-7-3-6-15-27-24(30)20-8-4-2-5-9-20/h2,4-5,8-13,22-23H,3,6-7,14-18H2,1H3,(H,27,30)(H,28,31)/t22-,23+/m1/s1
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 1.20E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50095137
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H42Cl2N4O2/c1-36-18-14-26(22-6-10-24(32)11-7-22)28(20-36)30(38)34-16-4-3-5-17-35-31(39)29-21-37(2)19-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3,(H,34,38)(H,35,39)/t26-,27-,28+,29+/m0/s1
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 1.44E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099296
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13+/m0/s1
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 1.77E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50095137
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H42Cl2N4O2/c1-36-18-14-26(22-6-10-24(32)11-7-22)28(20-36)30(38)34-16-4-3-5-17-35-31(39)29-21-37(2)19-15-27(29)23-8-12-25(33)13-9-23/h6-13,26-29H,3-5,14-21H2,1-2H3,(H,34,38)(H,35,39)/t26-,27-,28+,29+/m0/s1
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 1.96E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099298
PNG
(3N-{8-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H48Cl2N4O2/c1-39-21-17-29(25-9-13-27(35)14-10-25)31(23-39)33(41)37-19-7-5-3-4-6-8-20-38-34(42)32-24-40(2)22-18-30(32)26-11-15-28(36)16-12-26/h9-16,29-32H,3-8,17-24H2,1-2H3,(H,37,41)(H,38,42)/t29-,30-,31+,32+/m1/s1
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 1.98E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099296
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13+/m0/s1
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 2.89E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099287
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H19ClN2O/c1-16-14(18)13-9-17(2)8-7-12(13)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3,(H,16,18)/t12-,13+/m0/s1
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 3.11E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099300
PNG
(3N-{8-[4-(4-chlorophenyl)-1-methyl-(3S,4R)-hexahyd...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H48Cl2N4O2/c1-39-21-17-29(25-9-13-27(35)14-10-25)31(23-39)33(41)37-19-7-5-3-4-6-8-20-38-34(42)32-24-40(2)22-18-30(32)26-11-15-28(36)16-12-26/h9-16,29-32H,3-8,17-24H2,1-2H3,(H,37,41)(H,38,42)/t29-,30-,31+,32+/m0/s1
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 3.18E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of DA into the nerve endings of rat synaptosomes using [3H]DA as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099296
PNG
((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13+/m0/s1
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 3.60E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)		BDBM50099286
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H19ClN2O/c1-16-14(18)13-9-17(2)8-7-12(13)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3,(H,16,18)/t12-,13+/m1/s1
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 4.38E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099283
PNG
(3N-{3-[4-(4-chlorophenyl)-1-methyl-(3S,4R)-hexahyd...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H38Cl2N4O2/c1-34-16-12-24(20-4-8-22(30)9-5-20)26(18-34)28(36)32-14-3-15-33-29(37)27-19-35(2)17-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,25-,26+,27+/m0/s1
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 5.09E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099288
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...)
Show SMILES COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H18ClNO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13+/m1/s1
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 5.88E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099283
PNG
(3N-{3-[4-(4-chlorophenyl)-1-methyl-(3S,4R)-hexahyd...)
Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H38Cl2N4O2/c1-34-16-12-24(20-4-8-22(30)9-5-20)26(18-34)28(36)32-14-3-15-33-29(37)27-19-35(2)17-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,25-,26+,27+/m0/s1
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>6.50E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099286
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H19ClN2O/c1-16-14(18)13-9-17(2)8-7-12(13)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3,(H,16,18)/t12-,13+/m1/s1
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>9.00E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099287
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H19ClN2O/c1-16-14(18)13-9-17(2)8-7-12(13)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3,(H,16,18)/t12-,13+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099286
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H19ClN2O/c1-16-14(18)13-9-17(2)8-7-12(13)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3,(H,16,18)/t12-,13+/m1/s1
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>1.20E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099287
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H19ClN2O/c1-16-14(18)13-9-17(2)8-7-12(13)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3,(H,16,18)/t12-,13+/m0/s1
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>3.90E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50099286
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H19ClN2O/c1-16-14(18)13-9-17(2)8-7-12(13)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3,(H,16,18)/t12-,13+/m1/s1
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>5.30E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50099287
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxyl...)
Show SMILES CNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H19ClN2O/c1-16-14(18)13-9-17(2)8-7-12(13)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3,(H,16,18)/t12-,13+/m0/s1
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>7.00E+4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%