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Patent code US8664258

Compile Data Set for Download or QSAR
Found 5 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))		BDBM117016
PNG
(US8664258, 32 | US9987252, 32)
Show SMILES Cn1nccc1-c1cc(NC(=O)C(=O)c2ccc(F)cc2)ccc1OCCN
Show InChI InChI=1S/C20H19FN4O3/c1-25-17(8-10-23-25)16-12-15(6-7-18(16)28-11-9-22)24-20(27)19(26)13-2-4-14(21)5-3-13/h2-8,10,12H,9,11,22H2,1H3,(H,24,27)
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n/an/a 0.0250n/an/an/an/a7.425



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125]DOI as radioligand. To define nonspecific binding, 10...

US Patent US8664258 (2014)


BindingDB Entry DOI: 10.7270/Q2WQ02G1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM117019
PNG
(US8664258, 303 | US9987252, 303)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)C2CCC(CC2)C(F)(F)F)ccc1OCCN |(7.64,.46,;6.87,-.87,;7.35,-2.34,;6.1,-3.24,;4.86,-2.34,;3.53,-3.11,;5.33,-.87,;4,-.1,;2.67,-.87,;1.33,-.1,;,-.87,;-1.33,-.1,;-1.33,1.44,;-2.67,-.87,;-4,-.1,;-5.33,-.87,;-5.33,-2.41,;-4,-3.18,;-2.67,-2.41,;-6.67,-3.18,;-8,-3.95,;-7.44,-1.85,;-5.9,-4.52,;1.33,1.44,;2.67,2.21,;4,1.44,;5.33,2.21,;5.33,3.75,;6.67,4.52,;8,3.75,)|
Show InChI InChI=1S/C20H24ClF3N4O2/c1-28-18(16(21)11-26-28)15-10-14(6-7-17(15)30-9-8-25)27-19(29)12-2-4-13(5-3-12)20(22,23)24/h6-7,10-13H,2-5,8-9,25H2,1H3,(H,27,29)
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n/an/a 0.260n/an/an/an/a7.425



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125]DOI as radioligand. To define nonspecific binding, 10...

US Patent US8664258 (2014)


BindingDB Entry DOI: 10.7270/Q2WQ02G1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM117018
PNG
(US8664258, 197 | US9987252, 197)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)c2ccc(F)c(c2)C(F)(F)F)ccc1OCCN |(7.72,.46,;6.95,-.88,;7.85,-2.12,;6.95,-3.37,;5.48,-2.89,;4.15,-3.66,;5.48,-1.35,;4.15,-.58,;2.82,-1.35,;1.48,-.58,;.15,-1.35,;-1.18,-.58,;-1.18,.96,;-2.52,-1.35,;-2.52,-2.89,;-3.85,-3.66,;-5.19,-2.89,;-6.52,-3.66,;-5.19,-1.35,;-3.85,-.58,;-6.52,-.58,;-7.85,.19,;-5.75,.75,;-7.29,-1.92,;1.48,.96,;2.82,1.73,;4.15,.96,;5.48,1.73,;5.48,3.27,;6.97,3.66,;7.74,2.33,)|
Show InChI InChI=1S/C20H17ClF4N4O2/c1-29-18(15(21)10-27-29)13-9-12(3-5-17(13)31-7-6-26)28-19(30)11-2-4-16(22)14(8-11)20(23,24)25/h2-5,8-10H,6-7,26H2,1H3,(H,28,30)
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Similars
US Patent
n/an/a 1n/an/an/an/a7.425



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125]DOI as radioligand. To define nonspecific binding, 10...

US Patent US8664258 (2014)


BindingDB Entry DOI: 10.7270/Q2WQ02G1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM117020
PNG
(US8664258, 77)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)C(=O)c2cc(Br)cs2)ccc1OCCN |(7.61,.31,;6.84,-1.03,;7.75,-2.27,;6.84,-3.52,;5.38,-3.04,;4.29,-4.13,;5.38,-1.5,;4.05,-.73,;2.71,-1.5,;1.38,-.73,;.05,-1.5,;-1.29,-.73,;-1.29,.81,;-2.62,-1.5,;-2.62,-3.04,;-3.96,-.73,;-3.88,.81,;-5.31,1.36,;-5.71,2.85,;-6.28,.16,;-5.44,-1.13,;1.38,.81,;2.71,1.58,;4.05,.81,;5.38,1.58,;5.38,3.12,;6.87,3.52,;7.96,2.43,)|
Show InChI InChI=1S/C18H16BrClN4O3S/c1-24-16(13(20)8-22-24)12-7-11(2-3-14(12)27-5-4-21)23-18(26)17(25)15-6-10(19)9-28-15/h2-3,6-9H,4-5,21H2,1H3,(H,23,26)
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n/an/a 1.20n/an/an/an/a7.425



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125]DOI as radioligand. To define nonspecific binding, 10...

US Patent US8664258 (2014)


BindingDB Entry DOI: 10.7270/Q2WQ02G1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM117017
PNG
(US8664258, 106 | US9987252, 106)
Show SMILES Cn1nccc1-c1cc(NC(=O)c2ccno2)ccc1OCCN
Show InChI InChI=1S/C16H17N5O3/c1-21-13(4-7-18-21)12-10-11(2-3-14(12)23-9-6-17)20-16(22)15-5-8-19-24-15/h2-5,7-8,10H,6,9,17H2,1H3,(H,20,22)
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n/an/a 91n/an/an/an/a7.425



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125]DOI as radioligand. To define nonspecific binding, 10...

US Patent US8664258 (2014)


BindingDB Entry DOI: 10.7270/Q2WQ02G1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%