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Patent code US8680119

Compile Data Set for Download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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 2A


(Homo sapiens (Human))		BDBM119676
PNG
(US8680119, 15)
Show SMILES COCCNCCOc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1c(Cl)cnn1C |(-2.52,3.08,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;4.15,3.85,;5.48,3.08,;5.48,1.54,;4.15,.77,;2.82,1.54,;1.48,.77,;1.48,-.77,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-5.19,-1.54,;-3.85,-.77,;-6.52,-.77,;-5.75,.56,;-7.29,-2.1,;-7.85,,;2.82,-1.54,;4.15,-.77,;5.48,-1.54,;5.48,-3.08,;4.15,-3.85,;6.95,-3.56,;7.85,-2.31,;6.95,-1.06,;7.72,.27,)|
Show InChI InChI=1S/C23H24ClF3N4O3/c1-31-21(19(24)14-29-31)18-13-17(6-7-20(18)34-11-9-28-8-10-33-2)30-22(32)15-4-3-5-16(12-15)23(25,26)27/h3-7,12-14,28H,8-11H2,1-2H3,(H,30,32)
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US Patent
n/an/a 0.0820n/an/an/an/a7.4n/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific binding, 1...

US Patent US8680119 (2014)


BindingDB Entry DOI: 10.7270/Q2RV0MB0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM119679
PNG
(US8680119, 68)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(OCCO)c(c1)-c1c(Cl)cnn1C |(-6.67,1.05,;-6.67,-.49,;-5.33,-1.26,;-5.33,-2.8,;-4,-3.57,;-2.67,-2.8,;-2.67,-1.26,;-4,-.49,;-1.33,-.49,;-1.33,1.05,;,-1.26,;1.33,-.49,;1.33,1.05,;2.67,1.82,;4,1.05,;5.33,1.82,;5.33,3.36,;6.67,4.13,;8,3.36,;4,-.49,;2.67,-1.26,;5.33,-1.26,;5.33,-2.8,;4,-3.57,;6.8,-3.27,;7.7,-2.03,;6.8,-.78,;7.57,.55,)|
Show InChI InChI=1S/C20H20ClN3O4/c1-24-19(17(21)12-22-24)16-11-14(6-7-18(16)28-9-8-25)23-20(26)13-4-3-5-15(10-13)27-2/h3-7,10-12,25H,8-9H2,1-2H3,(H,23,26)
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US Patent
n/an/a 0.510n/an/an/an/a7.4n/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific binding, 1...

US Patent US8680119 (2014)


BindingDB Entry DOI: 10.7270/Q2RV0MB0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM119677
PNG
(US8680119, 52)
Show SMILES COCCOc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccnn1C
Show InChI InChI=1S/C21H20F3N3O3/c1-27-18(8-9-25-27)17-13-16(6-7-19(17)30-11-10-29-2)26-20(28)14-4-3-5-15(12-14)21(22,23)24/h3-9,12-13H,10-11H2,1-2H3,(H,26,28)
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n/an/a 4.40n/an/an/an/a7.4n/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific binding, 1...

US Patent US8680119 (2014)


BindingDB Entry DOI: 10.7270/Q2RV0MB0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM119678
PNG
(US8680119, 50)
Show SMILES COCCNC(=O)COc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1c(Cl)cnn1C |(-2.52,3.08,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;5.48,1.54,;4.15,.77,;2.82,1.54,;1.48,.77,;1.48,-.77,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-5.19,-1.54,;-3.85,-.77,;-6.52,-.77,;-5.75,.56,;-7.29,-2.1,;-7.85,,;2.82,-1.54,;4.15,-.77,;5.48,-1.54,;5.48,-3.08,;4.15,-3.85,;6.95,-3.56,;7.85,-2.31,;6.95,-1.06,;7.72,.27,)|
Show InChI InChI=1S/C23H22ClF3N4O4/c1-31-21(18(24)12-29-31)17-11-16(6-7-19(17)35-13-20(32)28-8-9-34-2)30-22(33)14-4-3-5-15(10-14)23(25,26)27/h3-7,10-12H,8-9,13H2,1-2H3,(H,28,32)(H,30,33)
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US Patent
n/an/a 52n/an/an/an/a7.4n/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific binding, 1...

US Patent US8680119 (2014)


BindingDB Entry DOI: 10.7270/Q2RV0MB0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%