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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 = 'BDBM433495'   
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))		BDBM433495
PNG
(US10562853, Compound 15)
Show SMILES FC1(CNCCOc2cccc3OCCOc23)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H25Cl2FN2O4/c24-17-5-4-16(14-18(17)25)22(29)28-9-6-23(26,7-10-28)15-27-8-11-30-19-2-1-3-20-21(19)32-13-12-31-20/h1-5,14,27H,6-13,15H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.195n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00814
BindingDB Entry DOI: 10.7270/Q24T6NZT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM433495
PNG
(US10562853, Compound 15)
Show SMILES FC1(CNCCOc2cccc3OCCOc23)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H25Cl2FN2O4/c24-17-5-4-16(14-18(17)25)22(29)28-9-6-23(26,7-10-28)15-27-8-11-30-19-2-1-3-20-21(19)32-13-12-31-20/h1-5,14,27H,6-13,15H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 0.200n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...

US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair