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PubMed code 25048712

Compile data set for download or QSAR
Found 24 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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM152784
PNG
(1-[(2,4,6-trimethylphenoxy)propyl]-4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1
Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H
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<1<-51.4n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM152786
PNG
(1-[(2-chloro-6-methylphenoxy)ethoxyethyl]-4-(2-met...)
Show SMILES Cl.COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2Cl)CC1
Show InChI InChI=1S/C22H29ClN2O3.ClH/c1-18-6-5-7-19(23)22(18)28-17-16-27-15-14-24-10-12-25(13-11-24)20-8-3-4-9-21(20)26-2;/h3-9H,10-17H2,1-2H3;1H
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<1<-51.4n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM152782
PNG
(1-[(2,5-dimethylphenoxy)propyl]-4-(2-methoxyphenyl...)
Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cc(C)ccc2C)CC1
Show InChI InChI=1S/C22H30N2O2.ClH/c1-18-9-10-19(2)22(17-18)26-16-6-11-23-12-14-24(15-13-23)20-7-4-5-8-21(20)25-3;/h4-5,7-10,17H,6,11-16H2,1-3H3;1H
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<1<-51.4n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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3 -48.6n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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4 -47.9n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM152783
PNG
(1-[(2,3,5-trimethylphenoxy)propyl]-4-(2-methoxyphe...)
Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cc(C)cc(C)c2C)CC1
Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)20(3)23(17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H
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6 -46.9n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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12 -45.2n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM152781
PNG
(1-[(2-chloro-5-methylphenoxy)propyl]-4-(2-methoxyp...)
Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cc(C)ccc2Cl)CC1
Show InChI InChI=1S/C21H27ClN2O2.ClH/c1-17-8-9-18(22)21(16-17)26-15-5-10-23-11-13-24(14-12-23)19-6-3-4-7-20(19)25-2;/h3-4,6-9,16H,5,10-15H2,1-2H3;1H
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15 -44.7n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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18 -44.2n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM152782
PNG
(1-[(2,5-dimethylphenoxy)propyl]-4-(2-methoxyphenyl...)
Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cc(C)ccc2C)CC1
Show InChI InChI=1S/C22H30N2O2.ClH/c1-18-9-10-19(2)22(17-18)26-16-6-11-23-12-14-24(15-13-23)20-7-4-5-8-21(20)25-3;/h4-5,7-10,17H,6,11-16H2,1-3H3;1H
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23 -43.6n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM152783
PNG
(1-[(2,3,5-trimethylphenoxy)propyl]-4-(2-methoxyphe...)
Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cc(C)cc(C)c2C)CC1
Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)20(3)23(17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H
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25 -43.4n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM152786
PNG
(1-[(2-chloro-6-methylphenoxy)ethoxyethyl]-4-(2-met...)
Show SMILES Cl.COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2Cl)CC1
Show InChI InChI=1S/C22H29ClN2O3.ClH/c1-18-6-5-7-19(23)22(18)28-17-16-27-15-14-24-10-12-25(13-11-24)20-8-3-4-9-21(20)26-2;/h3-9H,10-17H2,1-2H3;1H
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34 -42.6n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM152785
PNG
(1-[(2,6-dimethylphenoxy)ethoxyethyl]-4-(2-methoxyp...)
Show SMILES COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2C)CC1
Show InChI InChI=1S/C23H32N2O3.ClH/c1-19-7-6-8-20(2)23(19)28-18-17-27-16-15-24-11-13-25(14-12-24)21-9-4-5-10-22(21)26-3;/h4-10H,11-18H2,1-3H3;1H
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41 -42.2n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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143 -39.1n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM152785
PNG
(1-[(2,6-dimethylphenoxy)ethoxyethyl]-4-(2-methoxyp...)
Show SMILES COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2C)CC1
Show InChI InChI=1S/C23H32N2O3.ClH/c1-19-7-6-8-20(2)23(19)28-18-17-27-16-15-24-11-13-25(14-12-24)21-9-4-5-10-22(21)26-3;/h4-10H,11-18H2,1-3H3;1H
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156 -38.9n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM152784
PNG
(1-[(2,4,6-trimethylphenoxy)propyl]-4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1
Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H
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157 -38.8n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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190 -38.4n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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1.00E+3 -34.2n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM152782
PNG
(1-[(2,5-dimethylphenoxy)propyl]-4-(2-methoxyphenyl...)
Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cc(C)ccc2C)CC1
Show InChI InChI=1S/C22H30N2O2.ClH/c1-18-9-10-19(2)22(17-18)26-16-6-11-23-12-14-24(15-13-23)20-7-4-5-8-21(20)25-3;/h4-5,7-10,17H,6,11-16H2,1-3H3;1H
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1.81E+3 -32.8n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM152783
PNG
(1-[(2,3,5-trimethylphenoxy)propyl]-4-(2-methoxyphe...)
Show SMILES Cl.COc1ccccc1N1CCN(CCCOc2cc(C)cc(C)c2C)CC1
Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)20(3)23(17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H
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4.47E+3 -30.5n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM152784
PNG
(1-[(2,4,6-trimethylphenoxy)propyl]-4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1
Show InChI InChI=1S/C23H32N2O2.ClH/c1-18-16-19(2)23(20(3)17-18)27-15-7-10-24-11-13-25(14-12-24)21-8-5-6-9-22(21)26-4;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H
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8.06E+3 -29.1n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM152786
PNG
(1-[(2-chloro-6-methylphenoxy)ethoxyethyl]-4-(2-met...)
Show SMILES Cl.COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2Cl)CC1
Show InChI InChI=1S/C22H29ClN2O3.ClH/c1-18-6-5-7-19(23)22(18)28-17-16-27-15-14-24-10-12-25(13-11-24)20-8-3-4-9-21(20)26-2;/h3-9H,10-17H2,1-2H3;1H
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9.62E+3 -28.6n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM152785
PNG
(1-[(2,6-dimethylphenoxy)ethoxyethyl]-4-(2-methoxyp...)
Show SMILES COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2C)CC1
Show InChI InChI=1S/C23H32N2O3.ClH/c1-19-7-6-8-20(2)23(19)28-18-17-27-16-15-24-11-13-25(14-12-24)21-9-4-5-10-22(21)26-3;/h4-10H,11-18H2,1-3H3;1H
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9.97E+3 -28.5n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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>1.00E+4>-28.5n/an/an/an/an/an/a25



Jagiellonian University Medical College



Assay Description
The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris¿HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5...


Chem Biol Drug Des 85: 326-35 (2015)


Article DOI: 10.1111/cbdd.12394
BindingDB Entry DOI: 10.7270/Q2DN43SZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%