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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50150082'   
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))
BDBM50150082
PNG
(CHEMBL126484 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...)
Show SMILES COc1ccccc1OCCNCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C20H23FN2O2/c1-24-19-6-2-3-7-20(19)25-12-11-22-10-4-5-15-14-23-18-9-8-16(21)13-17(15)18/h2-3,6-9,13-14,22-23H,4-5,10-12H2,1H3
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Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 1A receptor in CHO cells labeled with [3H]-8-OH-DPAT radioligand


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50150082
PNG
(CHEMBL126484 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...)
Show SMILES COc1ccccc1OCCNCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C20H23FN2O2/c1-24-19-6-2-3-7-20(19)25-12-11-22-10-4-5-15-14-23-18-9-8-16(21)13-17(15)18/h2-3,6-9,13-14,22-23H,4-5,10-12H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 41.6n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration against binding of radioligand [35]GTPgammaS in CHO cells expressing human 5-hydroxytryptamine 1A receptor


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50150082
PNG
(CHEMBL126484 | [3-(5-Fluoro-1H-indol-3-yl)-propyl]...)
Show SMILES COc1ccccc1OCCNCCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C20H23FN2O2/c1-24-19-6-2-3-7-20(19)25-12-11-22-10-4-5-15-14-23-18-9-8-16(21)13-17(15)18/h2-3,6-9,13-14,22-23H,4-5,10-12H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 4.30n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective concentration against human 5-hydroxytryptamine 1A receptor using cAMP as radioligand in CHO cells


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair