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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50169271   
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 2C


(Homo sapiens (Human))
BDBM50169271
PNG
(CHEMBL187787 | N-((4R,10aR)-4-Methyl-1,2,3,4,10,10...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(NC(C)=O)cc3N12
Show InChI InChI=1S/C14H19N3O/c1-9-7-15-8-13-5-11-3-4-12(16-10(2)18)6-14(11)17(9)13/h3-4,6,9,13,15H,5,7-8H2,1-2H3,(H,16,18)/t9-,13-/m1/s1
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PC sid
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Article
PubMed
680n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50169271
PNG
(CHEMBL187787 | N-((4R,10aR)-4-Methyl-1,2,3,4,10,10...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(NC(C)=O)cc3N12
Show InChI InChI=1S/C14H19N3O/c1-9-7-15-8-13-5-11-3-4-12(16-10(2)18)6-14(11)17(9)13/h3-4,6,9,13,15H,5,7-8H2,1-2H3,(H,16,18)/t9-,13-/m1/s1
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Article
PubMed
960n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2B receptor evaluated by displacement of [3H]-5-HT radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169271
PNG
(CHEMBL187787 | N-((4R,10aR)-4-Methyl-1,2,3,4,10,10...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(NC(C)=O)cc3N12
Show InChI InChI=1S/C14H19N3O/c1-9-7-15-8-13-5-11-3-4-12(16-10(2)18)6-14(11)17(9)13/h3-4,6,9,13,15H,5,7-8H2,1-2H3,(H,16,18)/t9-,13-/m1/s1
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Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]-DOI radioligand


Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair