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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 = 'BDBM423295'   
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


(Rattus norvegicus (rat))
BDBM423295
PNG
(US10501452, Compound 1)
Show SMILES CN1CCc2ccc(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
Show InChI InChI=1S/C26H30FN3O3/c1-29-12-8-18-4-6-21(17-23(18)26(29)31)32-15-3-2-11-30-13-9-19(10-14-30)25-22-7-5-20(27)16-24(22)33-28-25/h4-7,16-17,19H,2-3,8-15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
15.8n/an/an/an/an/an/an/an/a



NHWA PHARMA. CORPORATION

US Patent


Assay Description
5-HT1A: (1) The prepared membrane was applied with appropriate amount of buffer, and homogenizer was used for evenly dispersing. 15 tubes were mixed ...


US Patent US10501452 (2019)


BindingDB Entry DOI: 10.7270/Q2BK1FR6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM423295
PNG
(US10501452, Compound 1)
Show SMILES CN1CCc2ccc(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
Show InChI InChI=1S/C26H30FN3O3/c1-29-12-8-18-4-6-21(17-23(18)26(29)31)32-15-3-2-11-30-13-9-19(10-14-30)25-22-7-5-20(27)16-24(22)33-28-25/h4-7,16-17,19H,2-3,8-15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
31n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](+)8-OH-DPAT from rat cerebral cortex 5HT1A receptor measured after 30 mins by liquid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112709
BindingDB Entry DOI: 10.7270/Q2XK8K6M
More data for this
Ligand-Target Pair