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Compile Data Set for Download or QSAR

Found 1116 hits with Last Name = 'hyttel' and Initial = 'j'   
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))
BDBM82217
PNG
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1
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0.190n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM81946
PNG
(CAS_96850-13-4 | LU 19,005 | LU 19-005)
Show SMILES CN[C@H]1C[C@@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13-,16+/s2
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0.260n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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0.290n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM81946
PNG
(CAS_96850-13-4 | LU 19,005 | LU 19-005)
Show SMILES CN[C@H]1C[C@@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13-,16+/s2
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0.480n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50021895
PNG
(4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...)
Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3
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0.740n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50021217
PNG
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)
Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
Show InChI InChI=1/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
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0.790n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM81946
PNG
(CAS_96850-13-4 | LU 19,005 | LU 19-005)
Show SMILES CN[C@H]1C[C@@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13-,16+/s2
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0.990n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM25870
PNG
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Show InChI InChI=1/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM25870
PNG
(1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3...)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Show InChI InChI=1/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Norepinephrine transporter


(RAT)
BDBM50021895
PNG
(4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...)
Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM81954
PNG
(1-(2-Benzhydryloxy-ethyl)-4-((E)-3-phenyl-allyl)-p...)
Show SMILES C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+
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2.60n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM82437
PNG
(CAS_23047-25-8 | Lofepramine | NSC_3947 | US862913...)
Show SMILES CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3
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2.70n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM22417
PNG
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)
Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1
Show InChI InChI=1/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50021895
PNG
(4-(3,4-Dichloro-phenyl)-7-methoxy-2-methyl-1,2,3,4...)
Show SMILES COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50028091
PNG
((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Show SMILES COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
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3.80n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H1 receptor


(RAT)
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM22199
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+
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4n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50026952
PNG
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)
Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50005548
PNG
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)
Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1
Show InChI InChI=1/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
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6.60n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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6.80n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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8n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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8.30n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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8.90n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50026952
PNG
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)
Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1
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9.30n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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10n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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11n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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12n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM22199
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+
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13n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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24n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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26n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM81954
PNG
(1-(2-Benzhydryloxy-ethyl)-4-((E)-3-phenyl-allyl)-p...)
Show SMILES C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+
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29n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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42n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50005548
PNG
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)
Show SMILES CN1CC(c2ccccc2)c2cccc(N)c2C1
Show InChI InChI=1/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
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48n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM82217
PNG
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1
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48n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50026952
PNG
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)
Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1
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51n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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68n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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69n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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70n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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72n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM22199
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+
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74n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




J Neurochem 44: 1615-22 (1985)


Article DOI: 10.1111/j.1471-4159.1985.tb08803.x
BindingDB Entry DOI: 10.7270/Q27H1H2F
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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78n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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81n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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81n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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110n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82548
PNG
(CAS_897-15-4 | Dothiepin | NSC_3155)
Show SMILES CN(C)CCC=C1c2ccccc2CSc2ccccc12
Show InChI InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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152n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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160n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM82217
PNG
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1
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160n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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180n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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210n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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210n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
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