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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50091835'   
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))
BDBM50091835
PNG
((R)-9-Chloro-8-trifluoromethyl-2,3,4,4a-tetrahydro...)
Show SMILES FC(F)(F)c1cc2NC(=O)[C@H]3CNCCN3c2cc1Cl
Show InChI InChI=1S/C12H11ClF3N3O/c13-7-4-9-8(3-6(7)12(14,15)16)18-11(20)10-5-17-1-2-19(9)10/h3-4,10,17H,1-2,5H2,(H,18,20)/t10-/m1/s1
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25n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091835
PNG
((R)-9-Chloro-8-trifluoromethyl-2,3,4,4a-tetrahydro...)
Show SMILES FC(F)(F)c1cc2NC(=O)[C@H]3CNCCN3c2cc1Cl
Show InChI InChI=1S/C12H11ClF3N3O/c13-7-4-9-8(3-6(7)12(14,15)16)18-11(20)10-5-17-1-2-19(9)10/h3-4,10,17H,1-2,5H2,(H,18,20)/t10-/m1/s1
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160n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity using [125I]-DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50091835
PNG
((R)-9-Chloro-8-trifluoromethyl-2,3,4,4a-tetrahydro...)
Show SMILES FC(F)(F)c1cc2NC(=O)[C@H]3CNCCN3c2cc1Cl
Show InChI InChI=1S/C12H11ClF3N3O/c13-7-4-9-8(3-6(7)12(14,15)16)18-11(20)10-5-17-1-2-19(9)10/h3-4,10,17H,1-2,5H2,(H,18,20)/t10-/m1/s1
PDB

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PubMed
n/an/an/an/a 19n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Agonistic activity for 5-HT2c (5-HT2C) by measuring [3H]-inositol monophosphate fromation in CHO cells in which the human 5-HT2C receptor subtype was...


Bioorg Med Chem Lett 10: 1991-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89BMP
More data for this
Ligand-Target Pair