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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50014549'   
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))
BDBM50014549
PNG
(CHEMBL3261480 | US9045501, 4)
Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23 |r,wD:7.6,(8.92,-16.19,;8.45,-14.73,;9.36,-13.48,;8.42,-12.13,;8.87,-10.66,;7.99,-9.38,;6.46,-9.26,;5.89,-7.83,;4.36,-7.61,;3.8,-6.17,;4.77,-4.97,;6.29,-5.2,;6.84,-6.63,;5.89,-5.6,;5.13,-6.93,;5.4,-10.41,;3.93,-9.96,;5.64,-11.94,;4.31,-12.71,;4.31,-14.25,;2.98,-15.02,;5.64,-15.02,;6.97,-14.25,;6.98,-12.7,)|
Show InChI InChI=1S/C19H22ClN3O/c1-12-10-22-6-7-23(17-11-21-4-2-13(17)3-5-21)19(24)16-9-14(20)8-15(12)18(16)22/h8-10,13,17H,2-7,11H2,1H3/t17-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014549
PNG
(CHEMBL3261480 | US9045501, 4)
Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23 |r,wD:7.6,(8.92,-16.19,;8.45,-14.73,;9.36,-13.48,;8.42,-12.13,;8.87,-10.66,;7.99,-9.38,;6.46,-9.26,;5.89,-7.83,;4.36,-7.61,;3.8,-6.17,;4.77,-4.97,;6.29,-5.2,;6.84,-6.63,;5.89,-5.6,;5.13,-6.93,;5.4,-10.41,;3.93,-9.96,;5.64,-11.94,;4.31,-12.71,;4.31,-14.25,;2.98,-15.02,;5.64,-15.02,;6.97,-14.25,;6.98,-12.7,)|
Show InChI InChI=1S/C19H22ClN3O/c1-12-10-22-6-7-23(17-11-21-4-2-13(17)3-5-21)19(24)16-9-14(20)8-15(12)18(16)22/h8-10,13,17H,2-7,11H2,1H3/t17-/m1/s1
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US Patent
0.200 -55.4n/an/an/an/an/a7.525



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US9045501 (2015)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair