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5 similar compounds to monomer 50070798

Compile data set for download or QSAR
Wt: 532.6
BDBM50070800
Wt: 489.6
BDBM50070901
Wt: 475.6
BDBM50070902
Wt: 533.6
BDBM50070904
Wt: 493.5
BDBM50070900

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50070800,50070901,50070902,50070904,50070900   
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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50070904
PNG
(CHEMBL3409258)
Show SMILES CC(C)Oc1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H35N3O4S/c1-24(2)37-30-15-7-6-14-29(30)36-23-9-17-31-19-21-32(22-20-31)27-12-8-13-28-26(27)16-18-33(28)38(34,35)25-10-4-3-5-11-25/h3-8,10-16,18,24H,9,17,19-23H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50070800
PNG
(CHEMBL3409257)
Show SMILES NC(=O)c1ccccc1OCCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H32N4O4S/c30-29(34)25-11-4-5-14-28(25)37-22-7-6-16-31-18-20-32(21-19-31)26-12-8-13-27-24(26)15-17-33(27)38(35,36)23-9-2-1-3-10-23/h1-5,8-15,17H,6-7,16,18-22H2,(H2,30,34)
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2.80n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50070900
PNG
(CHEMBL3409262)
Show SMILES Fc1ccc(OCCCN2CCN(CC2)c2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H28FN3O3S/c28-22-10-12-23(13-11-22)34-21-5-15-29-17-19-30(20-18-29)26-8-4-9-27-25(26)14-16-31(27)35(32,33)24-6-2-1-3-7-24/h1-4,6-14,16H,5,15,17-21H2
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5.40n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50070902
PNG
(CHEMBL3409260)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCOc2ccccc2)CC1
Show InChI InChI=1S/C27H29N3O3S/c31-34(32,24-11-5-2-6-12-24)30-17-15-25-26(13-7-14-27(25)30)29-20-18-28(19-21-29)16-8-22-33-23-9-3-1-4-10-23/h1-7,9-15,17H,8,16,18-22H2
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7.60n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50070901
PNG
(CHEMBL3409261)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCOc2ccccc2)CC1
Show InChI InChI=1S/C28H31N3O3S/c32-35(33,25-12-5-2-6-13-25)31-18-16-26-27(14-9-15-28(26)31)30-21-19-29(20-22-30)17-7-8-23-34-24-10-3-1-4-11-24/h1-6,9-16,18H,7-8,17,19-23H2
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16n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50070901
PNG
(CHEMBL3409261)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCOc2ccccc2)CC1
Show InChI InChI=1S/C28H31N3O3S/c32-35(33,25-12-5-2-6-13-25)31-18-16-26-27(14-9-15-28(26)31)30-21-19-29(20-22-30)17-7-8-23-34-24-10-3-1-4-11-24/h1-6,9-16,18H,7-8,17,19-23H2
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62n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in CHOK1 cells incubated for 60 mins by scintillation cou...


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50070900
PNG
(CHEMBL3409262)
Show SMILES Fc1ccc(OCCCN2CCN(CC2)c2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H28FN3O3S/c28-22-10-12-23(13-11-22)34-21-5-15-29-17-19-30(20-18-29)26-8-4-9-27-25(26)14-16-31(27)35(32,33)24-6-2-1-3-7-24/h1-4,6-14,16H,5,15,17-21H2
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67n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in CHOK1 cells incubated for 60 mins by scintillation cou...


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50070800
PNG
(CHEMBL3409257)
Show SMILES NC(=O)c1ccccc1OCCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H32N4O4S/c30-29(34)25-11-4-5-14-28(25)37-22-7-6-16-31-18-20-32(21-19-31)26-12-8-13-27-24(26)15-17-33(27)38(35,36)23-9-2-1-3-10-23/h1-5,8-15,17H,6-7,16,18-22H2,(H2,30,34)
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78n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in CHOK1 cells incubated for 60 mins by scintillation cou...


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50070904
PNG
(CHEMBL3409258)
Show SMILES CC(C)Oc1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H35N3O4S/c1-24(2)37-30-15-7-6-14-29(30)36-23-9-17-31-19-21-32(22-20-31)27-12-8-13-28-26(27)16-18-33(28)38(34,35)25-10-4-3-5-11-25/h3-8,10-16,18,24H,9,17,19-23H2,1-2H3
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110n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in CHOK1 cells incubated for 60 mins by scintillation cou...


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50070902
PNG
(CHEMBL3409260)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCOc2ccccc2)CC1
Show InChI InChI=1S/C27H29N3O3S/c31-34(32,24-11-5-2-6-12-24)30-17-15-25-26(13-7-14-27(25)30)29-20-18-28(19-21-29)16-8-22-33-23-9-3-1-4-10-23/h1-7,9-15,17H,8,16,18-22H2
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290n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in CHOK1 cells incubated for 60 mins by scintillation cou...


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair