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Patent code US9944606

Compile Data Set for Download or QSAR
Found 9 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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM388463
PNG
((1aS,5aS)-2-(4-Oxy-pyrazin-2-yl)-1a,2,5,5a-tetrahy...)
Show SMILES CNC(=O)[C@@H](NC(=O)c1nn(c2[C@H]3C[C@H]3Cc12)-c1c[n+]([O-])ccn1)C(C)(C)C
Show InChI InChI=1S/C19H24N6O3/c1-19(2,3)16(18(27)20-4)22-17(26)14-12-8-10-7-11(10)15(12)25(23-14)13-9-24(28)6-5-21-13/h5-6,9-11,16H,7-8H2,1-4H3,(H,20,27)(H,22,26)/t10-,11-,16+/m0/s1
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1.45n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Preparation of Membranes: HEK293 cells stably expressing human CB2 receptor were collected, washed in ice cold PBS, and centrifuged at 48,000g for 2...


US Patent US9944606 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM388466
PNG
((1aR,5aR)-2-(4-Oxy-pyrazin-2-yl)-1a,2,5,5a-tetrahy...)
Show SMILES CONC(=O)[C@@H](NC(=O)c1nn(c2[C@@H]3C[C@@H]3Cc12)-c1c[n+]([O-])ccn1)C(C)(C)C
Show InChI InChI=1S/C19H24N6O4/c1-19(2,3)16(18(27)23-29-4)21-17(26)14-12-8-10-7-11(10)15(12)25(22-14)13-9-24(28)6-5-20-13/h5-6,9-11,16H,7-8H2,1-4H3,(H,21,26)(H,23,27)/t10-,11-,16-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Preparation of Membranes: HEK293 cells stably expressing human CB2 receptor were collected, washed in ice cold PBS, and centrifuged at 48,000g for 2...


US Patent US9944606 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM388465
PNG
((1aR,5aR)-2-(Tetrahydro-pyran-4-ylmethyl)-1a,2,5,5...)
Show SMILES O=C(NC1(CCC1)c1ccccn1)c1nn(CC2CCOCC2)c2[C@@H]3C[C@@H]3Cc12
Show InChI InChI=1S/C23H28N4O2/c28-22(25-23(7-3-8-23)19-4-1-2-9-24-19)20-18-13-16-12-17(16)21(18)27(26-20)14-15-5-10-29-11-6-15/h1-2,4,9,15-17H,3,5-8,10-14H2,(H,25,28)/t16-,17-/m1/s1
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58.7n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Preparation of Membranes: HEK293 cells stably expressing human CB2 receptor were collected, washed in ice cold PBS, and centrifuged at 48,000g for 2...


US Patent US9944606 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM388461
PNG
((1aS,5aS)-2-(2,4-Difluoro-phenyl)-1a,2,5,5a-tetrah...)
Show SMILES Fc1ccc(c(F)c1)-n1nc(C(=O)NC2(CC2)c2ccccc2)c2C[C@@H]3C[C@@H]3c12
Show InChI InChI=1S/C23H19F2N3O/c24-15-6-7-19(18(25)12-15)28-21-16-10-13(16)11-17(21)20(27-28)22(29)26-23(8-9-23)14-4-2-1-3-5-14/h1-7,12-13,16H,8-11H2,(H,26,29)/t13-,16-/m0/s1
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97.6n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Preparation of Membranes: HEK293 cells stably expressing human CB2 receptor were collected, washed in ice cold PBS, and centrifuged at 48,000g for 2...


US Patent US9944606 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM388462
PNG
((1aR,5aR)-2-(4-Oxy-pyrazin-2-yl)-1a,2,5,5a-tetrahy...)
Show SMILES CC(C)(C)[C@@H](CO)NC(=O)c1nn(c2[C@@H]3C[C@@H]3Cc12)-c1c[n+]([O-])ccn1
Show InChI InChI=1S/C18H23N5O3/c1-18(2,3)13(9-24)20-17(25)15-12-7-10-6-11(10)16(12)23(21-15)14-8-22(26)5-4-19-14/h4-5,8,10-11,13,24H,6-7,9H2,1-3H3,(H,20,25)/t10-,11-,13-/m1/s1
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97.7n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Preparation of Membranes: HEK293 cells stably expressing human CB2 receptor were collected, washed in ice cold PBS, and centrifuged at 48,000g for 2...


US Patent US9944606 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM388463
PNG
((1aS,5aS)-2-(4-Oxy-pyrazin-2-yl)-1a,2,5,5a-tetrahy...)
Show SMILES CNC(=O)[C@@H](NC(=O)c1nn(c2[C@H]3C[C@H]3Cc12)-c1c[n+]([O-])ccn1)C(C)(C)C
Show InChI InChI=1S/C19H24N6O3/c1-19(2,3)16(18(27)20-4)22-17(26)14-12-8-10-7-11(10)15(12)25(23-14)13-9-24(28)6-5-21-13/h5-6,9-11,16H,7-8H2,1-4H3,(H,20,27)(H,22,26)/t10-,11-,16+/m0/s1
PDB

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105n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Preparation of Membranes: HEK293 cells stably expressing human CB2 receptor were collected, washed in ice cold PBS, and centrifuged at 48,000g for 2...


US Patent US9944606 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM388461
PNG
((1aS,5aS)-2-(2,4-Difluoro-phenyl)-1a,2,5,5a-tetrah...)
Show SMILES Fc1ccc(c(F)c1)-n1nc(C(=O)NC2(CC2)c2ccccc2)c2C[C@@H]3C[C@@H]3c12
Show InChI InChI=1S/C23H19F2N3O/c24-15-6-7-19(18(25)12-15)28-21-16-10-13(16)11-17(21)20(27-28)22(29)26-23(8-9-23)14-4-2-1-3-5-14/h1-7,12-13,16H,8-11H2,(H,26,29)/t13-,16-/m0/s1
PDB

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207n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Preparation of Membranes: HEK293 cells stably expressing human CB2 receptor were collected, washed in ice cold PBS, and centrifuged at 48,000g for 2...


US Patent US9944606 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM388465
PNG
((1aR,5aR)-2-(Tetrahydro-pyran-4-ylmethyl)-1a,2,5,5...)
Show SMILES O=C(NC1(CCC1)c1ccccn1)c1nn(CC2CCOCC2)c2[C@@H]3C[C@@H]3Cc12
Show InChI InChI=1S/C23H28N4O2/c28-22(25-23(7-3-8-23)19-4-1-2-9-24-19)20-18-13-16-12-17(16)21(18)27(26-20)14-15-5-10-29-11-6-15/h1-2,4,9,15-17H,3,5-8,10-14H2,(H,25,28)/t16-,17-/m1/s1
PDB

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568n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Preparation of Membranes: HEK293 cells stably expressing human CB2 receptor were collected, washed in ice cold PBS, and centrifuged at 48,000g for 2...


US Patent US9944606 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM388466
PNG
((1aR,5aR)-2-(4-Oxy-pyrazin-2-yl)-1a,2,5,5a-tetrahy...)
Show SMILES CONC(=O)[C@@H](NC(=O)c1nn(c2[C@@H]3C[C@@H]3Cc12)-c1c[n+]([O-])ccn1)C(C)(C)C
Show InChI InChI=1S/C19H24N6O4/c1-19(2,3)16(18(27)23-29-4)21-17(26)14-12-8-10-7-11(10)15(12)25(22-14)13-9-24(28)6-5-20-13/h5-6,9-11,16H,7-8H2,1-4H3,(H,21,26)(H,23,27)/t10-,11-,16-/m1/s1
PDB

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1.20E+3n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Preparation of Membranes: HEK293 cells stably expressing human CB2 receptor were collected, washed in ice cold PBS, and centrifuged at 48,000g for 2...


US Patent US9944606 (2018)

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