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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 = 'BDBM50414861'   
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))
BDBM50414861
PNG
(CHEMBL574827)
Show SMILES Clc1cccc(c1)N1CCN(CCCCn2cnc3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H25ClN4O/c23-18-6-5-7-19(16-18)26-14-12-25(13-15-26)10-3-4-11-27-17-24-21-9-2-1-8-20(21)22(27)28/h1-2,5-9,16-17H,3-4,10-15H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.30n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 25: 1427-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.042
BindingDB Entry DOI: 10.7270/Q23R0VJN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50414861
PNG
(CHEMBL574827)
Show SMILES Clc1cccc(c1)N1CCN(CCCCn2cnc3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H25ClN4O/c23-18-6-5-7-19(16-18)26-14-12-25(13-15-26)10-3-4-11-27-17-24-21-9-2-1-8-20(21)22(27)28/h1-2,5-9,16-17H,3-4,10-15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Binding affinity to rat hippocampus 5-HT1A receptor


Bioorg Med Chem Lett 25: 1427-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.042
BindingDB Entry DOI: 10.7270/Q23R0VJN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50414861
PNG
(CHEMBL574827)
Show SMILES Clc1cccc(c1)N1CCN(CCCCn2cnc3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H25ClN4O/c23-18-6-5-7-19(16-18)26-14-12-25(13-15-26)10-3-4-11-27-17-24-21-9-2-1-8-20(21)22(27)28/h1-2,5-9,16-17H,3-4,10-15H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50.1n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells after 120 mins


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair