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5 similar compounds to monomer 50145591

Compile data set for download or QSAR
Wt: 434.5
BDBM50145598
Wt: 434.5
BDBM50145600
Wt: 338.4
BDBM50145602
Wt: 396.9
BDBM50145592
Wt: 368.4
BDBM50145597

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50145598,50145600,50145602,50145592,50145597   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50145598
PNG
((R)-1-((3S,4R)-4-Benzo[b]thiophen-5-yl-2-methyl-pi...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2sccc2c1
Show InChI InChI=1S/C26H30N2O2S/c1-17-12-23-24(27-17)4-3-5-25(23)30-16-22(29)15-28-10-8-20(13-18(28)2)19-6-7-26-21(14-19)9-11-31-26/h3-7,9,11-12,14,18,20,22,27,29H,8,10,13,15-16H2,1-2H3/t18-,20+,22+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50145598
PNG
((R)-1-((3S,4R)-4-Benzo[b]thiophen-5-yl-2-methyl-pi...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2sccc2c1
Show InChI InChI=1S/C26H30N2O2S/c1-17-12-23-24(27-17)4-3-5-25(23)30-16-22(29)15-28-10-8-20(13-18(28)2)19-6-7-26-21(14-19)9-11-31-26/h3-7,9,11-12,14,18,20,22,27,29H,8,10,13,15-16H2,1-2H3/t18-,20+,22+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50145600
PNG
((R)-1-((3S,4R)-4-Benzo[b]thiophen-4-yl-2-methyl-pi...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2sccc12
Show InChI InChI=1S/C26H30N2O2S/c1-17-13-23-24(27-17)6-4-7-25(23)30-16-20(29)15-28-11-9-19(14-18(28)2)21-5-3-8-26-22(21)10-12-31-26/h3-8,10,12-13,18-20,27,29H,9,11,14-16H2,1-2H3/t18-,19+,20+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50145600
PNG
((R)-1-((3S,4R)-4-Benzo[b]thiophen-4-yl-2-methyl-pi...)
Show SMILES C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2sccc12
Show InChI InChI=1S/C26H30N2O2S/c1-17-13-23-24(27-17)6-4-7-25(23)30-16-20(29)15-28-11-9-19(14-18(28)2)21-5-3-8-26-22(21)10-12-31-26/h3-8,10,12-13,18-20,27,29H,9,11,14-16H2,1-2H3/t18-,19+,20+/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine


Bioorg Med Chem Lett 14: 2653-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145592
PNG
(CHEMBL3764752)
Show SMILES Cl.O=C(NCCN1CCN(CC1)c1cccc2ccccc12)c1ccncc1
Show InChI InChI=1S/C22H24N4O.ClH/c27-22(19-8-10-23-11-9-19)24-12-13-25-14-16-26(17-15-25)21-7-3-5-18-4-1-2-6-20(18)21;/h1-11H,12-17H2,(H,24,27);1H
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5.20n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145597
PNG
(CHEMBL3764534)
Show SMILES CCOc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C21H28N4O2/c1-2-27-20-7-4-3-6-19(20)25-16-14-24(15-17-25)13-5-10-23-21(26)18-8-11-22-12-9-18/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3,(H,23,26)
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9.60n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145592
PNG
(CHEMBL3764752)
Show SMILES Cl.O=C(NCCN1CCN(CC1)c1cccc2ccccc12)c1ccncc1
Show InChI InChI=1S/C22H24N4O.ClH/c27-22(19-8-10-23-11-9-19)24-12-13-25-14-16-26(17-15-25)21-7-3-5-18-4-1-2-6-20(18)21;/h1-11H,12-17H2,(H,24,27);1H
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42n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145597
PNG
(CHEMBL3764534)
Show SMILES CCOc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C21H28N4O2/c1-2-27-20-7-4-3-6-19(20)25-16-14-24(15-17-25)13-5-10-23-21(26)18-8-11-22-12-9-18/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3,(H,23,26)
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207n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145592
PNG
(CHEMBL3764752)
Show SMILES Cl.O=C(NCCN1CCN(CC1)c1cccc2ccccc12)c1ccncc1
Show InChI InChI=1S/C22H24N4O.ClH/c27-22(19-8-10-23-11-9-19)24-12-13-25-14-16-26(17-15-25)21-7-3-5-18-4-1-2-6-20(18)21;/h1-11H,12-17H2,(H,24,27);1H
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385n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145602
PNG
(CHEMBL3765808)
Show SMILES Cc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C20H26N4O/c1-17-5-2-3-6-19(17)24-15-13-23(14-16-24)12-4-9-22-20(25)18-7-10-21-11-8-18/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(H,22,25)
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3.31E+3n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145602
PNG
(CHEMBL3765808)
Show SMILES Cc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C20H26N4O/c1-17-5-2-3-6-19(17)24-15-13-23(14-16-24)12-4-9-22-20(25)18-7-10-21-11-8-18/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(H,22,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145597
PNG
(CHEMBL3764534)
Show SMILES CCOc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C21H28N4O2/c1-2-27-20-7-4-3-6-19(20)25-16-14-24(15-17-25)13-5-10-23-21(26)18-8-11-22-12-9-18/h3-4,6-9,11-12H,2,5,10,13-17H2,1H3,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145602
PNG
(CHEMBL3765808)
Show SMILES Cc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C20H26N4O/c1-17-5-2-3-6-19(17)24-15-13-23(14-16-24)12-4-9-22-20(25)18-7-10-21-11-8-18/h2-3,5-8,10-11H,4,9,12-16H2,1H3,(H,22,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair