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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 50516843   
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))
BDBM50516843
PNG
(CHEMBL4455658)
Show SMILES Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(33.29,-6.1,;31.96,-5.32,;31.97,-3.79,;30.64,-3.01,;29.3,-3.78,;29.3,-5.32,;30.63,-6.09,;30.62,-7.62,;29.29,-8.39,;27.96,-7.61,;26.63,-8.39,;26.63,-9.93,;27.96,-10.69,;29.28,-9.93,;30.61,-10.7,;30.6,-12.24,;31.94,-9.94,;33.27,-10.72,;34.61,-9.96,;35.94,-10.74,;37.28,-9.97,;38.61,-10.75,;39.94,-9.99,;41.27,-10.78,;41.25,-12.32,;39.91,-13.08,;38.59,-12.3,;39.9,-14.62,;38.65,-15.51,;39.11,-16.98,;40.64,-16.99,;41.66,-18.14,;43.17,-17.84,;43.65,-16.37,;42.64,-15.23,;41.14,-15.53,;31.95,-8.4,;33.29,-7.64,)|
Show InChI InChI=1S/C31H35ClN4O2/c32-26-13-3-1-12-24(26)29-28-15-5-6-18-35(28)31(38)36(30(29)37)19-8-7-16-34-17-9-10-22(21-34)25-20-33-27-14-4-2-11-23(25)27/h1-4,11-14,20,22,33H,5-10,15-19,21H2
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8n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...


Eur J Med Chem 180: 383-397 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.027
BindingDB Entry DOI: 10.7270/Q23B63H7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50516843
PNG
(CHEMBL4455658)
Show SMILES Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(33.29,-6.1,;31.96,-5.32,;31.97,-3.79,;30.64,-3.01,;29.3,-3.78,;29.3,-5.32,;30.63,-6.09,;30.62,-7.62,;29.29,-8.39,;27.96,-7.61,;26.63,-8.39,;26.63,-9.93,;27.96,-10.69,;29.28,-9.93,;30.61,-10.7,;30.6,-12.24,;31.94,-9.94,;33.27,-10.72,;34.61,-9.96,;35.94,-10.74,;37.28,-9.97,;38.61,-10.75,;39.94,-9.99,;41.27,-10.78,;41.25,-12.32,;39.91,-13.08,;38.59,-12.3,;39.9,-14.62,;38.65,-15.51,;39.11,-16.98,;40.64,-16.99,;41.66,-18.14,;43.17,-17.84,;43.65,-16.37,;42.64,-15.23,;41.14,-15.53,;31.95,-8.4,;33.29,-7.64,)|
Show InChI InChI=1S/C31H35ClN4O2/c32-26-13-3-1-12-24(26)29-28-15-5-6-18-35(28)31(38)36(30(29)37)19-8-7-16-34-17-9-10-22(21-34)25-20-33-27-14-4-2-11-23(25)27/h1-4,11-14,20,22,33H,5-10,15-19,21H2
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34n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method


Eur J Med Chem 180: 383-397 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.027
BindingDB Entry DOI: 10.7270/Q23B63H7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50516843
PNG
(CHEMBL4455658)
Show SMILES Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(33.29,-6.1,;31.96,-5.32,;31.97,-3.79,;30.64,-3.01,;29.3,-3.78,;29.3,-5.32,;30.63,-6.09,;30.62,-7.62,;29.29,-8.39,;27.96,-7.61,;26.63,-8.39,;26.63,-9.93,;27.96,-10.69,;29.28,-9.93,;30.61,-10.7,;30.6,-12.24,;31.94,-9.94,;33.27,-10.72,;34.61,-9.96,;35.94,-10.74,;37.28,-9.97,;38.61,-10.75,;39.94,-9.99,;41.27,-10.78,;41.25,-12.32,;39.91,-13.08,;38.59,-12.3,;39.9,-14.62,;38.65,-15.51,;39.11,-16.98,;40.64,-16.99,;41.66,-18.14,;43.17,-17.84,;43.65,-16.37,;42.64,-15.23,;41.14,-15.53,;31.95,-8.4,;33.29,-7.64,)|
Show InChI InChI=1S/C31H35ClN4O2/c32-26-13-3-1-12-24(26)29-28-15-5-6-18-35(28)31(38)36(30(29)37)19-8-7-16-34-17-9-10-22(21-34)25-20-33-27-14-4-2-11-23(25)27/h1-4,11-14,20,22,33H,5-10,15-19,21H2
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609n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 cells incubated for 1.5 hrs by Cheng-Prusoff analysis based microbeta sc...


Eur J Med Chem 180: 383-397 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.027
BindingDB Entry DOI: 10.7270/Q23B63H7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50516843
PNG
(CHEMBL4455658)
Show SMILES Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(33.29,-6.1,;31.96,-5.32,;31.97,-3.79,;30.64,-3.01,;29.3,-3.78,;29.3,-5.32,;30.63,-6.09,;30.62,-7.62,;29.29,-8.39,;27.96,-7.61,;26.63,-8.39,;26.63,-9.93,;27.96,-10.69,;29.28,-9.93,;30.61,-10.7,;30.6,-12.24,;31.94,-9.94,;33.27,-10.72,;34.61,-9.96,;35.94,-10.74,;37.28,-9.97,;38.61,-10.75,;39.94,-9.99,;41.27,-10.78,;41.25,-12.32,;39.91,-13.08,;38.59,-12.3,;39.9,-14.62,;38.65,-15.51,;39.11,-16.98,;40.64,-16.99,;41.66,-18.14,;43.17,-17.84,;43.65,-16.37,;42.64,-15.23,;41.14,-15.53,;31.95,-8.4,;33.29,-7.64,)|
Show InChI InChI=1S/C31H35ClN4O2/c32-26-13-3-1-12-24(26)29-28-15-5-6-18-35(28)31(38)36(30(29)37)19-8-7-16-34-17-9-10-22(21-34)25-20-33-27-14-4-2-11-23(25)27/h1-4,11-14,20,22,33H,5-10,15-19,21H2
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896n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2 receptor expressed in HEK cells incubated for 1 hr by Cheng-Prusoff analysis based microbeta scintillat...


Eur J Med Chem 180: 383-397 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.027
BindingDB Entry DOI: 10.7270/Q23B63H7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50516843
PNG
(CHEMBL4455658)
Show SMILES Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(33.29,-6.1,;31.96,-5.32,;31.97,-3.79,;30.64,-3.01,;29.3,-3.78,;29.3,-5.32,;30.63,-6.09,;30.62,-7.62,;29.29,-8.39,;27.96,-7.61,;26.63,-8.39,;26.63,-9.93,;27.96,-10.69,;29.28,-9.93,;30.61,-10.7,;30.6,-12.24,;31.94,-9.94,;33.27,-10.72,;34.61,-9.96,;35.94,-10.74,;37.28,-9.97,;38.61,-10.75,;39.94,-9.99,;41.27,-10.78,;41.25,-12.32,;39.91,-13.08,;38.59,-12.3,;39.9,-14.62,;38.65,-15.51,;39.11,-16.98,;40.64,-16.99,;41.66,-18.14,;43.17,-17.84,;43.65,-16.37,;42.64,-15.23,;41.14,-15.53,;31.95,-8.4,;33.29,-7.64,)|
Show InChI InChI=1S/C31H35ClN4O2/c32-26-13-3-1-12-24(26)29-28-15-5-6-18-35(28)31(38)36(30(29)37)19-8-7-16-34-17-9-10-22(21-34)25-20-33-27-14-4-2-11-23(25)27/h1-4,11-14,20,22,33H,5-10,15-19,21H2
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1.03E+3n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK cells incubated for 1 hr by Cheng-Prusoff analysis based microbeta scintillation c...


Eur J Med Chem 180: 383-397 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.027
BindingDB Entry DOI: 10.7270/Q23B63H7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50516843
PNG
(CHEMBL4455658)
Show SMILES Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(33.29,-6.1,;31.96,-5.32,;31.97,-3.79,;30.64,-3.01,;29.3,-3.78,;29.3,-5.32,;30.63,-6.09,;30.62,-7.62,;29.29,-8.39,;27.96,-7.61,;26.63,-8.39,;26.63,-9.93,;27.96,-10.69,;29.28,-9.93,;30.61,-10.7,;30.6,-12.24,;31.94,-9.94,;33.27,-10.72,;34.61,-9.96,;35.94,-10.74,;37.28,-9.97,;38.61,-10.75,;39.94,-9.99,;41.27,-10.78,;41.25,-12.32,;39.91,-13.08,;38.59,-12.3,;39.9,-14.62,;38.65,-15.51,;39.11,-16.98,;40.64,-16.99,;41.66,-18.14,;43.17,-17.84,;43.65,-16.37,;42.64,-15.23,;41.14,-15.53,;31.95,-8.4,;33.29,-7.64,)|
Show InChI InChI=1S/C31H35ClN4O2/c32-26-13-3-1-12-24(26)29-28-15-5-6-18-35(28)31(38)36(30(29)37)19-8-7-16-34-17-9-10-22(21-34)25-20-33-27-14-4-2-11-23(25)27/h1-4,11-14,20,22,33H,5-10,15-19,21H2
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1.36E+3n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK cells incubated for 1 hr by Cheng-Prusoff analysis based microbeta scintillation ...


Eur J Med Chem 180: 383-397 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.027
BindingDB Entry DOI: 10.7270/Q23B63H7
More data for this
Ligand-Target Pair