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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50532889'   
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))
BDBM50532889
PNG
(CHEMBL4591320)
Show SMILES Clc1cccc(c1)N1CCN(CCC(=O)N2CCN(CC2)c2ccccc2)CC1
Show InChI InChI=1S/C23H29ClN4O/c24-20-5-4-8-22(19-20)27-13-11-25(12-14-27)10-9-23(29)28-17-15-26(16-18-28)21-6-2-1-3-7-21/h1-8,19H,9-18H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
34n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cell membranes after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem Lett 26: 4052-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.080
BindingDB Entry DOI: 10.7270/Q2VM4GS6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50532889
PNG
(CHEMBL4591320)
Show SMILES Clc1cccc(c1)N1CCN(CCC(=O)N2CCN(CC2)c2ccccc2)CC1
Show InChI InChI=1S/C23H29ClN4O/c24-20-5-4-8-22(19-20)27-13-11-25(12-14-27)10-9-23(29)28-17-15-26(16-18-28)21-6-2-1-3-7-21/h1-8,19H,9-18H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
34n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cell membranes after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem Lett 26: 4052-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.080
BindingDB Entry DOI: 10.7270/Q2VM4GS6
More data for this
Ligand-Target Pair