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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50003915'   
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))
BDBM50003915
PNG
(CHEMBL3235744)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C27H36N4O2S/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1
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<1n/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 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003915
PNG
(CHEMBL3235744)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C27H36N4O2S/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1
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<1n/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 5HT1A receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 92: 202-11 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.041
BindingDB Entry DOI: 10.7270/Q2TT4SNW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003915
PNG
(CHEMBL3235744)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C27H36N4O2S/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1
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19n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in HEK293 cells assessed as cAMP concentration at 10'-6 M by adenylate cyclase activity based HTRF...


Eur J Med Chem 92: 202-11 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.041
BindingDB Entry DOI: 10.7270/Q2TT4SNW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50003915
PNG
(CHEMBL3235744)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C27H36N4O2S/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1
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98n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP concentration at 10'-6 M by ad...


Eur J Med Chem 92: 202-11 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.041
BindingDB Entry DOI: 10.7270/Q2TT4SNW
More data for this
Ligand-Target Pair