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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50206262'   
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))
BDBM50206262
PNG
(CHEMBL3909099)
Show SMILES [H][C@@]12CCN(C1)C[C@@]21CN=C(Nc2ncnn3cccc23)O1 |r,t:11,TLB:21:7:2.3:5,THB:8:7:2.3:5|
Show InChI InChI=1S/C14H16N6O/c1-2-11-12(16-9-17-20(11)4-1)18-13-15-7-14(21-13)8-19-5-3-10(14)6-19/h1-2,4,9-10H,3,5-8H2,(H,15,16,17,18)/t10-,14+/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...


ACS Med Chem Lett 8: 133-137 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00471
BindingDB Entry DOI: 10.7270/Q2765HBF
More data for this
Ligand-Target Pair