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Patent code US10781180

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°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM463331
PNG
(2-(4-Fluoro-phenyl)-N-[3-(2-methyl-2H-pyrazol-3-yl...)
Show SMILES Cn1nccc1-c1cc(NC(=O)Cc2ccc(F)cc2)ccc1OCCN1CCCCC1
Show InChI InChI=1S/C25H29FN4O2/c1-29-23(11-12-27-29)22-18-21(28-25(31)17-19-5-7-20(26)8-6-19)9-10-24(22)32-16-15-30-13-3-2-4-14-30/h5-12,18H,2-4,13-17H2,1H3,(H,28,31)
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PC cid
PC sid
UniChem
US Patent
n/an/a 13.7n/an/an/an/an/an/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 US10781180 (2020)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM463330
PNG
(1-(3-Acetyl-phenyl)-3-[3-(2-methyl-2H-pyrazol-3-yl...)
Show SMILES CC(=O)c1cccc(NC(=O)Nc2ccc(OCCN3CCCC3)c(c2)-c2ccnn2C)c1
Show InChI InChI=1S/C25H29N5O3/c1-18(31)19-6-5-7-20(16-19)27-25(32)28-21-8-9-24(33-15-14-30-12-3-4-13-30)22(17-21)23-10-11-26-29(23)2/h5-11,16-17H,3-4,12-15H2,1-2H3,(H2,27,28,32)
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US Patent
n/an/a 5n/an/an/an/an/an/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 US10781180 (2020)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM463329
PNG
(1-(4-Chloro-benzyl)-3-[3-(2-methyl-2H-pyrazol-3-yl...)
Show SMILES Cn1nccc1-c1cc(NC(=O)NCc2ccc(Cl)cc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C24H28ClN5O2/c1-29-22(10-11-27-29)21-16-20(8-9-23(21)32-15-14-30-12-2-3-13-30)28-24(31)26-17-18-4-6-19(25)7-5-18/h4-11,16H,2-3,12-15,17H2,1H3,(H2,26,28,31)
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n/an/a 10.2n/an/an/an/an/an/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 US10781180 (2020)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM463328
PNG
( [3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-(2-pyrrol...)
Show SMILES CCC(C)OC(=O)Nc1ccc(OCCN2CCCC2)c(c1)-c1c(Br)cnn1C
Show InChI InChI=1S/C21H29BrN4O3/c1-4-15(2)29-21(27)24-16-7-8-19(28-12-11-26-9-5-6-10-26)17(13-16)20-18(22)14-23-25(20)3/h7-8,13-15H,4-6,9-12H2,1-3H3,(H,24,27)
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n/an/a 1.10n/an/an/an/an/an/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 US10781180 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%