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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A (5-HT1A)' and Ligand = 'BDBM50140058'   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50140058
PNG
(CHEMBL3752576)
Show SMILES C=CCN(CCc1c[nH]c2ccccc12)CC=C
Show InChI InChI=1S/C16H20N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h3-8,13,17H,1-2,9-12H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
100n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 1A (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50140058
PNG
(CHEMBL3752576)
Show SMILES C=CCN(CCc1c[nH]c2ccccc12)CC=C
Show InChI InChI=1S/C16H20N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h3-8,13,17H,1-2,9-12H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT 1A (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair