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PubMed code 27692547

Compile data set for download or QSAR
Found 7 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))
BDBM50197357
PNG
(CHEMBL3958008)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCOc2c(C)cccc2C)CC1
Show InChI InChI=1S/C23H32N2O2/c1-19-9-8-10-20(2)23(19)27-18-7-6-13-24-14-16-25(17-15-24)21-11-4-5-12-22(21)26-3/h4-5,8-12H,6-7,13-18H2,1-3H3
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2n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in membranes after 60 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 5315-5321 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.037
BindingDB Entry DOI: 10.7270/Q24J0H3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50197365
PNG
(CHEMBL3979966)
Show SMILES Cl.Cl.Cc1cccc(Cl)c1OCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H27ClN2O/c1-18-8-7-11-20(22)21(18)25-17-6-5-12-23-13-15-24(16-14-23)19-9-3-2-4-10-19/h2-4,7-11H,5-6,12-17H2,1H3
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4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in membranes after 60 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 5315-5321 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.037
BindingDB Entry DOI: 10.7270/Q24J0H3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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4.60n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in membranes after 60 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 5315-5321 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.037
BindingDB Entry DOI: 10.7270/Q24J0H3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50197356
PNG
(CHEMBL3971078)
Show SMILES Cl.Cl.COc1ccccc1N1CCN(CCOCCOc2cccc(C)c2C)CC1
Show InChI InChI=1S/C23H32N2O3/c1-19-7-6-10-22(20(19)2)28-18-17-27-16-15-24-11-13-25(14-12-24)21-8-4-5-9-23(21)26-3/h4-10H,11-18H2,1-3H3
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5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in membranes after 60 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 5315-5321 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.037
BindingDB Entry DOI: 10.7270/Q24J0H3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50197355
PNG
(CHEMBL3921558)
Show SMILES Cl.Cl.Cc1cccc(OCCCN2CCN(CC2)c2ccccc2)c1C
Show InChI InChI=1S/C21H28N2O/c1-18-8-6-11-21(19(18)2)24-17-7-12-22-13-15-23(16-14-22)20-9-4-3-5-10-20/h3-6,8-11H,7,12-17H2,1-2H3
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5.40n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in membranes after 60 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 5315-5321 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.037
BindingDB Entry DOI: 10.7270/Q24J0H3X
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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7n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta1 adrenergic receptor in rat brain cerebral cortex after 60 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 5315-5321 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.037
BindingDB Entry DOI: 10.7270/Q24J0H3X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50197354
PNG
(CHEMBL3949348)
Show SMILES Cl.Cl.Cc1cccc(OCCN2CCN(CC2)c2ccccc2)c1C
Show InChI InChI=1S/C20H26N2O/c1-17-7-6-10-20(18(17)2)23-16-15-21-11-13-22(14-12-21)19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in membranes after 60 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 5315-5321 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.037
BindingDB Entry DOI: 10.7270/Q24J0H3X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%