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Compile Data Set for Download or QSAR

Found 366 hits with Last Name = 'wang' and Initial = 'cz'   
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
Monoamine transporters; Norepinephrine & serotonin


(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)


Article DOI: 10.1021/jm000552s
BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(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)


Article DOI: 10.1021/jm000552s
BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50111026
PNG
(9-[1-(5-Methyl-thiophen-2-yl)-meth-(Z)-ylidene]-7-...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(C)s1
Show InChI InChI=1S/C17H21NO2S/c1-10-3-5-13(21-10)7-11-9-18-12-4-6-15(18)16(14(11)8-12)17(19)20-2/h3,5,7,12,14-16H,4,6,8-9H2,1-2H3/b11-7+
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4.90n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital region


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50111028
PNG
(9-[1-(5-Iodo-thiophen-2-yl)-meth-(Z)-ylidene]-7-az...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(I)s1
Show InChI InChI=1S/C16H18INO2S/c1-20-16(19)15-12-7-10-2-4-13(15)18(10)8-9(12)6-11-3-5-14(17)21-11/h3,5-6,10,12-13,15H,2,4,7-8H2,1H3/b9-6+
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5n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital region


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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5n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital region


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50147851
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-propyl-pipe...)
Show SMILES CCC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClN/c1-3-4-13-11-17(2)10-9-15(13)12-5-7-14(16)8-6-12/h5-8,13,15H,3-4,9-11H2,1-2H3/t13-,15+/m0/s1
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6.5n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]NE at Norepinephrine transporter (NET) using rat brain parietal/occipital cortex


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50133744
PNG
(9-[1-(5-Bromo-4-methyl-thiophen-2-yl)-meth-(Z)-yli...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cc(C)c(Br)s1
Show InChI InChI=1S/C17H20BrNO2S/c1-9-5-12(22-16(9)18)6-10-8-19-11-3-4-14(19)15(13(10)7-11)17(20)21-2/h5-6,11,13-15H,3-4,7-8H2,1-2H3/b10-6+
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6.80n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of serotonin ([3H]5-HT) at serotonin transporter of rat midbrian


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(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)


Article DOI: 10.1021/jm000552s
BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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7.40n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital region


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50115557
PNG
(4-(4-Chloro-phenyl)-piperidine-3-carboxylic acid m...)
Show SMILES COC(=O)C1CNCC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C13H16ClNO2/c1-17-13(16)12-8-15-7-6-11(12)9-2-4-10(14)5-3-9/h2-5,11-12,15H,6-8H2,1H3/t11-,12?/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]NE by norepinephrine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


Article DOI: 10.1021/jm0200153
BindingDB Entry DOI: 10.7270/Q2FT8MR8
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(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)


Article DOI: 10.1021/jm000552s
BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50127626
PNG
(5-(3',4'-Dichloro-biphenyl-4-ylmethylene)-3-aza-tr...)
Show SMILES COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(Cl)c(Cl)c2)C1CC3
Show InChI InChI=1S/C26H27Cl2NO2/c1-31-26(30)25-21-9-4-17-5-11-24(25)29(14-17)15-20(21)12-16-2-6-18(7-3-16)19-8-10-22(27)23(28)13-19/h2-3,6-8,10,12-13,17,21,24-25H,4-5,9,11,14-15H2,1H3/b20-12+
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9.70n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]NE reuptake at norepinephrine transporter from rat brain


J Med Chem 46: 1997-2007 (2003)


Article DOI: 10.1021/jm020596w
BindingDB Entry DOI: 10.7270/Q2251JWM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50133753
PNG
(9-[1-(5-Chloro-thiophen-2-yl)-meth-(Z)-ylidene]-7-...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)s1
Show InChI InChI=1S/C16H18ClNO2S/c1-20-16(19)15-12-7-10-2-4-13(15)18(10)8-9(12)6-11-3-5-14(17)21-11/h3,5-6,10,12-13,15H,2,4,7-8H2,1H3/b9-6+
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9.70n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital region


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50133740
PNG
(9-[1-[5-(4-Methoxy-phenyl)-thiophen-2-yl]-meth-(Z)...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H25NO3S/c1-26-17-6-3-14(4-7-17)21-10-8-18(28-21)11-15-13-24-16-5-9-20(24)22(19(15)12-16)23(25)27-2/h3-4,6-8,10-11,16,19-20,22H,5,9,12-13H2,1-2H3/b15-11+
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10n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital region


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50127627
PNG
(5-[5-(4-Methoxy-phenyl)-thiophen-2-ylmethylene]-3-...)
Show SMILES COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(s2)-c2ccc(OC)cc2)C1CC3
Show InChI InChI=1S/C25H29NO3S/c1-28-19-7-5-17(6-8-19)23-12-9-20(30-23)13-18-15-26-14-16-3-10-21(18)24(25(27)29-2)22(26)11-4-16/h5-9,12-13,16,21-22,24H,3-4,10-11,14-15H2,1-2H3/b18-13+
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10.3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]NE reuptake at norepinephrine transporter from rat brain


J Med Chem 46: 1997-2007 (2003)


Article DOI: 10.1021/jm020596w
BindingDB Entry DOI: 10.7270/Q2251JWM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50127641
PNG
(5-(5-Phenyl-thiophen-2-ylmethylene)-3-aza-tricyclo...)
Show SMILES COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(s2)-c2ccccc2)C1CC3
Show InChI InChI=1S/C24H27NO2S/c1-27-24(26)23-20-10-7-16-8-11-21(23)25(14-16)15-18(20)13-19-9-12-22(28-19)17-5-3-2-4-6-17/h2-6,9,12-13,16,20-21,23H,7-8,10-11,14-15H2,1H3/b18-13+
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13.5n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]NE reuptake at norepinephrine transporter from rat brain


J Med Chem 46: 1997-2007 (2003)


Article DOI: 10.1021/jm020596w
BindingDB Entry DOI: 10.7270/Q2251JWM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50127642
PNG
(5-(4-Furan-2-yl-benzylidene)-3-aza-tricyclo[4.4.2....)
Show SMILES COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccco2)C1CC3
Show InChI InChI=1S/C24H27NO3/c1-27-24(26)23-20-10-6-17-7-11-21(23)25(14-17)15-19(20)13-16-4-8-18(9-5-16)22-3-2-12-28-22/h2-5,8-9,12-13,17,20-21,23H,6-7,10-11,14-15H2,1H3/b19-13+
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13.9n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]NE reuptake at norepinephrine transporter from rat brain


J Med Chem 46: 1997-2007 (2003)


Article DOI: 10.1021/jm020596w
BindingDB Entry DOI: 10.7270/Q2251JWM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(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)


Article DOI: 10.1021/jm000552s
BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50133745
PNG
(9-[1-(5-Phenyl-thiophen-2-yl)-meth-(Z)-ylidene]-7-...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C22H23NO2S/c1-25-22(24)21-18-12-16-7-9-19(21)23(16)13-15(18)11-17-8-10-20(26-17)14-5-3-2-4-6-14/h2-6,8,10-11,16,18-19,21H,7,9,12-13H2,1H3/b15-11+
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14n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital region


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50147854
PNG
(3-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-...)
Show SMILES CN1CC[C@@H]([C@@H](CCCO)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClNO/c1-17-9-8-15(13(11-17)3-2-10-18)12-4-6-14(16)7-5-12/h4-7,13,15,18H,2-3,8-11H2,1H3/t13-,15+/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]DA at Dopamine transporter (DAT) using rat brain striatum


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50147831
PNG
(2-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-...)
Show SMILES CN(C)C(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C16H23ClN2O/c1-18(2)16(20)10-13-11-19(3)9-8-15(13)12-4-6-14(17)7-5-12/h4-7,13,15H,8-11H2,1-3H3/t13-,15+/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]DA at Dopamine transporter (DAT) using rat brain striatum


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50127644
PNG
(5-(3'-Chloro-biphenyl-4-ylmethylene)-3-aza-tricycl...)
Show SMILES COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2cccc(Cl)c2)C1CC3
Show InChI InChI=1S/C26H28ClNO2/c1-30-26(29)25-23-11-7-18-8-12-24(25)28(15-18)16-21(23)13-17-5-9-19(10-6-17)20-3-2-4-22(27)14-20/h2-6,9-10,13-14,18,23-25H,7-8,11-12,15-16H2,1H3/b21-13+
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17.5n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]NE reuptake at norepinephrine transporter from rat brain


J Med Chem 46: 1997-2007 (2003)


Article DOI: 10.1021/jm020596w
BindingDB Entry DOI: 10.7270/Q2251JWM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50127625
PNG
(5-(4-Thiophen-2-yl-benzylidene)-3-aza-tricyclo[4.4...)
Show SMILES COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2cccs2)C1CC3
Show InChI InChI=1S/C24H27NO2S/c1-27-24(26)23-20-10-6-17-7-11-21(23)25(14-17)15-19(20)13-16-4-8-18(9-5-16)22-3-2-12-28-22/h2-5,8-9,12-13,17,20-21,23H,6-7,10-11,14-15H2,1H3/b19-13+
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19.8n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]NE reuptake at norepinephrine transporter from rat brain


J Med Chem 46: 1997-2007 (2003)


Article DOI: 10.1021/jm020596w
BindingDB Entry DOI: 10.7270/Q2251JWM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50133748
PNG
(9-[1-(5-Bromo-thiophen-2-yl)-meth-(Z)-ylidene]-7-a...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Br)s1
Show InChI InChI=1S/C16H18BrNO2S/c1-20-16(19)15-12-7-10-2-4-13(15)18(10)8-9(12)6-11-3-5-14(17)21-11/h3,5-6,10,12-13,15H,2,4,7-8H2,1H3/b9-6+
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20n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital region


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50147851
PNG
((3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-propyl-pipe...)
Show SMILES CCC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClN/c1-3-4-13-11-17(2)10-9-15(13)12-5-7-14(16)8-6-12/h5-8,13,15H,3-4,9-11H2,1-2H3/t13-,15+/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]DA at Dopamine transporter (DAT) using rat brain striatum


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50147829
PNG
((3R,4S)-3-Allyloxymethyl-4-(4-chloro-phenyl)-1-met...)
Show SMILES CN1CC[C@@H]([C@@H](COCC=C)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H22ClNO/c1-3-10-19-12-14-11-18(2)9-8-16(14)13-4-6-15(17)7-5-13/h3-7,14,16H,1,8-12H2,2H3/t14-,16-/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]NE at Norepinephrine transporter (NET) using rat brain parietal/occipital cortex


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50127635
PNG
(5-(4-Thiophen-3-yl-benzylidene)-3-aza-tricyclo[4.4...)
Show SMILES COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccsc2)C1CC3
Show InChI InChI=1S/C24H27NO2S/c1-27-24(26)23-21-8-4-17-5-9-22(23)25(13-17)14-20(21)12-16-2-6-18(7-3-16)19-10-11-28-15-19/h2-3,6-7,10-12,15,17,21-23H,4-5,8-9,13-14H2,1H3/b20-12+
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20.5n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]NE reuptake at norepinephrine transporter from rat brain


J Med Chem 46: 1997-2007 (2003)


Article DOI: 10.1021/jm020596w
BindingDB Entry DOI: 10.7270/Q2251JWM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50127624
PNG
(5-[4-(5-Methyl-thiophen-2-yl)-benzylidene]-3-aza-t...)
Show SMILES COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(C)s2)C1CC3
Show InChI InChI=1S/C25H29NO2S/c1-16-3-12-23(29-16)19-8-4-17(5-9-19)13-20-15-26-14-18-6-10-21(20)24(25(27)28-2)22(26)11-7-18/h3-5,8-9,12-13,18,21-22,24H,6-7,10-11,14-15H2,1-2H3/b20-13+
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22.5n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]NE reuptake at norepinephrine transporter from rat brain


J Med Chem 46: 1997-2007 (2003)


Article DOI: 10.1021/jm020596w
BindingDB Entry DOI: 10.7270/Q2251JWM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50127634
PNG
(5-(4'-Methyl-biphenyl-4-ylmethylene)-3-aza-tricycl...)
Show SMILES COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(C)cc2)C1CC3
Show InChI InChI=1S/C27H31NO2/c1-18-3-9-21(10-4-18)22-11-5-19(6-12-22)15-23-17-28-16-20-7-13-24(23)26(27(29)30-2)25(28)14-8-20/h3-6,9-12,15,20,24-26H,7-8,13-14,16-17H2,1-2H3/b23-15+
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22.7n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]NE reuptake at norepinephrine transporter from rat brain


J Med Chem 46: 1997-2007 (2003)


Article DOI: 10.1021/jm020596w
BindingDB Entry DOI: 10.7270/Q2251JWM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(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)


Article DOI: 10.1021/jm000552s
BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50111025
PNG
(9-[1-Thiophen-2-yl-meth-(Z)-ylidene]-7-aza-tricycl...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccs1
Show InChI InChI=1S/C16H19NO2S/c1-19-16(18)15-13-8-11-4-5-14(15)17(11)9-10(13)7-12-3-2-6-20-12/h2-3,6-7,11,13-15H,4-5,8-9H2,1H3/b10-7+
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26n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital region


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50111028
PNG
(9-[1-(5-Iodo-thiophen-2-yl)-meth-(Z)-ylidene]-7-az...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(I)s1
Show InChI InChI=1S/C16H18INO2S/c1-20-16(19)15-12-7-10-2-4-13(15)18(10)8-9(12)6-11-3-5-14(17)21-11/h3,5-6,10,12-13,15H,2,4,7-8H2,1H3/b9-6+
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29n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of serotonin ([3H]5-HT) at serotonin transporter of rat midbrian


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50147840
PNG
(3-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-...)
Show SMILES COC(=O)CC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C16H22ClNO2/c1-18-10-9-15(12-3-6-14(17)7-4-12)13(11-18)5-8-16(19)20-2/h3-4,6-7,13,15H,5,8-11H2,1-2H3/t13-,15+/m0/s1
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31n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]NE at Norepinephrine transporter (NET) using rat brain parietal/occipital cortex


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50147846
PNG
((3R,4S)-3-(5-Benzo[1,3]dioxol-5-yl-[1,2,4]oxadiazo...)
Show SMILES CN1CC[C@@H]([C@@H](Cc2noc(n2)-c2ccc3OCOc3c2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClN3O3/c1-26-9-8-18(14-2-5-17(23)6-3-14)16(12-26)11-21-24-22(29-25-21)15-4-7-19-20(10-15)28-13-27-19/h2-7,10,16,18H,8-9,11-13H2,1H3/t16-,18+/m0/s1
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32n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]-5-HT at Serotonin transporter (SERT) using rat midbrain


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50147833
PNG
(CHEMBL103262 | N-Benzyl-2-[(3R,4S)-4-(4-chloro-phe...)
Show SMILES CN(Cc1ccccc1)C(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C22H27ClN2O/c1-24-13-12-21(18-8-10-20(23)11-9-18)19(16-24)14-22(26)25(2)15-17-6-4-3-5-7-17/h3-11,19,21H,12-16H2,1-2H3/t19-,21+/m0/s1
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32n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]NE at Norepinephrine transporter (NET) using rat brain parietal/occipital cortex


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50127630
PNG
(5-(4'-Cyano-biphenyl-4-ylmethylene)-3-aza-tricyclo...)
Show SMILES COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(cc2)C#N)C1CC3
Show InChI InChI=1S/C27H28N2O2/c1-31-27(30)26-24-12-6-20-7-13-25(26)29(16-20)17-23(24)14-18-2-8-21(9-3-18)22-10-4-19(15-28)5-11-22/h2-5,8-11,14,20,24-26H,6-7,12-13,16-17H2,1H3/b23-14+
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32.4n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]NE reuptake at norepinephrine transporter from rat brain


J Med Chem 46: 1997-2007 (2003)


Article DOI: 10.1021/jm020596w
BindingDB Entry DOI: 10.7270/Q2251JWM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50133751
PNG
(9-[1-Thiophen-3-yl-meth-(Z)-ylidene]-7-aza-tricycl...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccsc1
Show InChI InChI=1S/C16H19NO2S/c1-19-16(18)15-13-7-12-2-3-14(15)17(12)8-11(13)6-10-4-5-20-9-10/h4-6,9,12-15H,2-3,7-8H2,1H3/b11-6+
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33n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital region


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(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)


Article DOI: 10.1021/jm000552s
BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50147832
PNG
(CHEMBL103805 | Phenyl-carbamic acid (3R,4S)-4-(4-c...)
Show SMILES CN1CC[C@@H]([C@@H](COC(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN2O2/c1-23-12-11-19(15-7-9-17(21)10-8-15)16(13-23)14-25-20(24)22-18-5-3-2-4-6-18/h2-10,16,19H,11-14H2,1H3,(H,22,24)/t16-,19-/m1/s1
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33n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]NE at Norepinephrine transporter (NET) using rat brain parietal/occipital cortex


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50115561
PNG
(4-(4-Chloro-phenyl)-3-(3-methyl-[1,2,4]oxadiazol-5...)
Show SMILES Cc1noc(n1)C1CNCC[C@@H]1c1ccc(Cl)cc1
Show InChI InChI=1S/C14H16ClN3O/c1-9-17-14(19-18-9)13-8-16-7-6-12(13)10-2-4-11(15)5-3-10/h2-5,12-13,16H,6-8H2,1H3/t12-,13?/m1/s1
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34n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of high affinity uptake of [3H]NE by norepinephrine transporter in nerve endings obtained from rat brain.


J Med Chem 45: 3161-70 (2002)


Article DOI: 10.1021/jm0200153
BindingDB Entry DOI: 10.7270/Q2FT8MR8
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50147857
PNG
(CHEMBL103208 | [(3R,4S)-4-(4-Chloro-phenyl)-1-meth...)
Show SMILES CN1CC[C@@H]([C@@H](CC(=O)OCCCc2ccccc2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H28ClNO2/c1-25-14-13-22(19-9-11-21(24)12-10-19)20(17-25)16-23(26)27-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,20,22H,5,8,13-17H2,1H3/t20-,22+/m0/s1
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36n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]DA at Dopamine transporter (DAT) using rat brain striatum


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50133748
PNG
(9-[1-(5-Bromo-thiophen-2-yl)-meth-(Z)-ylidene]-7-a...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Br)s1
Show InChI InChI=1S/C16H18BrNO2S/c1-20-16(19)15-12-7-10-2-4-13(15)18(10)8-9(12)6-11-3-5-14(17)21-11/h3,5-6,10,12-13,15H,2,4,7-8H2,1H3/b9-6+
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36n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of serotonin ([3H]5-HT) at serotonin transporter of rat midbrian


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50133744
PNG
(9-[1-(5-Bromo-4-methyl-thiophen-2-yl)-meth-(Z)-yli...)
Show SMILES COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cc(C)c(Br)s1
Show InChI InChI=1S/C17H20BrNO2S/c1-9-5-12(22-16(9)18)6-10-8-19-11-3-4-14(19)15(13(10)7-11)17(20)21-2/h5-6,11,13-15H,3-4,7-8H2,1-2H3/b10-6+
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37n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital region


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50147834
PNG
(Adamantan-1-yl-carbamic acid (3R,4S)-4-(4-chloro-p...)
Show SMILES CN1CC[C@@H]([C@@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H33ClN2O2/c1-27-7-6-22(19-2-4-21(25)5-3-19)20(14-27)15-29-23(28)26-24-11-16-8-17(12-24)10-18(9-16)13-24/h2-5,16-18,20,22H,6-15H2,1H3,(H,26,28)/t16?,17?,18?,20-,22-,24?/m1/s1
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37n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]-5-HT at Serotonin transporter (SERT) using rat midbrain


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50127638
PNG
(5-(4'-Methoxy-biphenyl-4-ylmethylene)-3-aza-tricyc...)
Show SMILES COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(OC)cc2)C1CC3
Show InChI InChI=1S/C27H31NO3/c1-30-23-11-9-21(10-12-23)20-7-3-18(4-8-20)15-22-17-28-16-19-5-13-24(22)26(27(29)31-2)25(28)14-6-19/h3-4,7-12,15,19,24-26H,5-6,13-14,16-17H2,1-2H3/b22-15+
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39n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]NE reuptake at norepinephrine transporter from rat brain


J Med Chem 46: 1997-2007 (2003)


Article DOI: 10.1021/jm020596w
BindingDB Entry DOI: 10.7270/Q2251JWM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(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)


Article DOI: 10.1021/jm000552s
BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(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)


Article DOI: 10.1021/jm000552s
BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50147837
PNG
((3R,4S)-4-(4-Chloro-phenyl)-3-(3-fluoro-propyl)-1-...)
Show SMILES CN1CC[C@@H]([C@@H](CCCF)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H21ClFN/c1-18-10-8-15(13(11-18)3-2-9-17)12-4-6-14(16)7-5-12/h4-7,13,15H,2-3,8-11H2,1H3/t13-,15+/m0/s1
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43n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]DA at Dopamine transporter (DAT) using rat brain striatum


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50147846
PNG
((3R,4S)-3-(5-Benzo[1,3]dioxol-5-yl-[1,2,4]oxadiazo...)
Show SMILES CN1CC[C@@H]([C@@H](Cc2noc(n2)-c2ccc3OCOc3c2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClN3O3/c1-26-9-8-18(14-2-5-17(23)6-3-14)16(12-26)11-21-24-22(29-25-21)15-4-7-19-20(10-15)28-13-27-19/h2-7,10,16,18H,8-9,11-13H2,1H3/t16-,18+/m0/s1
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44n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of [3H]DA at Dopamine transporter (DAT) using rat brain striatum


J Med Chem 47: 3009-18 (2004)


Article DOI: 10.1021/jm0303296
BindingDB Entry DOI: 10.7270/Q23779GM
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50127628
PNG
(5-(4-Pyrrol-1-yl-benzylidene)-3-aza-tricyclo[4.4.2...)
Show SMILES COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-n2cccc2)C1CC3
Show InChI InChI=1S/C24H28N2O2/c1-28-24(27)23-21-10-6-18-7-11-22(23)26(15-18)16-19(21)14-17-4-8-20(9-5-17)25-12-2-3-13-25/h2-5,8-9,12-14,18,21-23H,6-7,10-11,15-16H2,1H3/b19-14+
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45.9n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]NE reuptake at norepinephrine transporter from rat brain


J Med Chem 46: 1997-2007 (2003)


Article DOI: 10.1021/jm020596w
BindingDB Entry DOI: 10.7270/Q2251JWM
More data for this
Ligand-Target Pair
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