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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50232608   
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 3A


(Homo sapiens (Human))
BDBM50232608
PNG
(CHEMBL4071766)
Show SMILES Cc1cccc(c1)-c1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1 |r,wU:15.25,t:13,TLB:23:15:19.18:21.22,THB:14:15:19.18:21.22,(60.25,-21.45,;59.49,-22.79,;60.27,-24.13,;59.49,-25.47,;57.95,-25.47,;57.18,-24.13,;57.95,-22.8,;55.65,-24.13,;54.88,-25.47,;53.34,-25.47,;52.58,-24.13,;51.04,-24.13,;50.27,-25.46,;50.89,-26.87,;49.75,-27.9,;48.42,-27.13,;48.4,-28.54,;46.24,-28.01,;46.25,-26.21,;46.81,-24.93,;46.89,-26.46,;45.49,-27.21,;45.17,-28.77,;48.74,-25.62,;53.34,-22.8,;54.88,-22.79,)|
Show InChI InChI=1S/C20H23N5O/c1-14-3-2-4-15(9-14)16-10-21-18(22-11-16)24-19-23-12-20(26-19)13-25-7-5-17(20)6-8-25/h2-4,9-11,17H,5-8,12-13H2,1H3,(H,21,22,23,24)/t20-/m0/s1
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Similars

Article
PubMed
n/an/a 4.40E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 1261-1266 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.058
BindingDB Entry DOI: 10.7270/Q2FJ2K1D
More data for this
Ligand-Target Pair