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Patent code US9987252

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
Dopamine D2 receptor and serotonin 2a receptor


(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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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0250n/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 US9987252 (2018)

More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM117019
PNG
(US8664258, 303 | US9987252, 303)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)C2CCC(CC2)C(F)(F)F)ccc1OCCN
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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US Patent
n/an/a 0.260n/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 US9987252 (2018)

More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(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
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/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 US9987252 (2018)

More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM397088
PNG
(4-Bromo-thiophene-2- carboxylic acid [4-(2- amino-...)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)c2cc(Br)cs2)ccc1OCCN
Show InChI InChI=1S/C17H16BrClN4O2S/c1-23-16(13(19)8-21-23)12-7-11(2-3-14(12)25-5-4-20)22-17(24)15-6-10(18)9-26-15/h2-3,6-9H,4-5,20H2,1H3,(H,22,24)
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n/an/a 1.20n/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 US9987252 (2018)

More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(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)
MMDB

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PC cid
PC sid
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US Patent
n/an/a 91n/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 US9987252 (2018)

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