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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-HT3A Serotonin Receptor' and Ligand = 'BDBM91601'   
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-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91601
PNG
(3' | alpha7 agonists 3')
Show SMILES O=c1cc(OCc2cnnn2CC[N+]23CCC(CC2)CC3)c2ccccc2[nH]1
Show InChI InChI=1S/C21H25N5O2/c27-21-13-20(18-3-1-2-4-19(18)23-21)28-15-17-14-22-24-25(17)8-12-26-9-5-16(6-10-26)7-11-26/h1-4,13-14,16H,5-12,15H2/p+1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
>3.00E+4>-26.9n/an/an/an/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Taylor Research Group (2014)


Article DOI: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair