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Patent code US10308659

Compile Data Set for Download or QSAR

Found 246 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))
BDBM395806
PNG
(3-benzyl-5-[5-cyclopropyl-4-(cyclopropylmethoxy)py...)
Show SMILES C(Oc1cc(ncc1C1CC1)-c1nc(Cc2ccccc2)no1)C1CC1
Show InChI InChI=1S/C21H21N3O2/c1-2-4-14(5-3-1)10-20-23-21(26-24-20)18-11-19(25-13-15-6-7-15)17(12-22-18)16-8-9-16/h1-5,11-12,15-16H,6-10,13H2
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n/an/an/an/a 69.1n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395809
PNG
(5-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridin-...)
Show SMILES FC(F)(F)COc1cc(ncc1C1CC1)-c1nc(no1)C(F)(F)F
Show InChI InChI=1S/C13H9F6N3O2/c14-12(15,16)5-23-9-3-8(20-4-7(9)6-1-2-6)10-21-11(22-24-10)13(17,18)19/h3-4,6H,1-2,5H2
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n/an/an/an/a 21.3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395807
PNG
(3-tert-butyl-5-[5-cyclopropyl-4-(cyclopropylmethox...)
Show SMILES CC(C)(C)c1noc(n1)-c1cc(OCC2CC2)c(cn1)C1CC1
Show InChI InChI=1S/C18H23N3O2/c1-18(2,3)17-20-16(23-21-17)14-8-15(22-10-11-4-5-11)13(9-19-14)12-6-7-12/h8-9,11-12H,4-7,10H2,1-3H3
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n/an/an/an/a 15.8n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395814
PNG
(3-[5-cyclopropyl-4-(cyclopropylmethoxy)pyridin-2-y...)
Show SMILES CCc1nc(no1)-c1cc(OCC2CC2)c(cn1)C1CC1
Show InChI InChI=1S/C16H19N3O2/c1-2-15-18-16(19-21-15)13-7-14(20-9-10-3-4-10)12(8-17-13)11-5-6-11/h7-8,10-11H,2-6,9H2,1H3
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n/an/an/an/a 31.9n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395817
PNG
(5-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluor...)
Show SMILES Cc1noc(n1)-c1cc(OCC(F)(F)F)c(cn1)N1CC(F)(F)C1
Show InChI InChI=1S/C13H11F5N4O2/c1-7-20-11(24-21-7)8-2-10(23-6-13(16,17)18)9(3-19-8)22-4-12(14,15)5-22/h2-3H,4-6H2,1H3
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n/an/an/an/a 343n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395823
PNG
(2-[5-cyclopropyl-4-(cyclopropylmethoxy)pyridin-2-y...)
Show SMILES C(Oc1cc(ncc1C1CC1)C1=NC2(CO1)CCCCC2)C1CC1
Show InChI InChI=1S/C20H26N2O2/c1-2-8-20(9-3-1)13-24-19(22-20)17-10-18(23-12-14-4-5-14)16(11-21-17)15-6-7-15/h10-11,14-15H,1-9,12-13H2
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n/an/an/an/a 3.68E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395824
PNG
(1-[3-[5-cyclopropyl-4-(cyclopropylmethoxy)pyridin-...)
Show SMILES OC1(CC1)c1nc(no1)-c1cc(OCC2CC2)c(cn1)C1CC1
Show InChI InChI=1S/C17H19N3O3/c21-17(5-6-17)16-19-15(20-23-16)13-7-14(22-9-10-1-2-10)12(8-18-13)11-3-4-11/h7-8,10-11,21H,1-6,9H2
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n/an/an/an/a 35.2n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395825
PNG
(3-[5-cyclopropyl-4-(cyclopropylmethoxy)pyridin-2-y...)
Show SMILES CC1(CC1)c1nc(no1)-c1cc(OCC2CC2)c(cn1)C1CC1
Show InChI InChI=1S/C18H21N3O2/c1-18(6-7-18)17-20-16(21-23-17)14-8-15(22-10-11-2-3-11)13(9-19-14)12-4-5-12/h8-9,11-12H,2-7,10H2,1H3
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n/an/an/an/a 4.30n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395828
PNG
(2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridin-...)
Show SMILES CCC1(CC)COC(=N1)c1cc(OCC(F)(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C17H21F3N2O2/c1-3-16(4-2)9-24-15(22-16)13-7-14(23-10-17(18,19)20)12(8-21-13)11-5-6-11/h7-8,11H,3-6,9-10H2,1-2H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395834
PNG
(US10308659, Example 33 | US10308659, Example 44)
Show SMILES CC(C)(C)c1nc(no1)-c1cc(OCC(F)(F)F)c(cn1)N1CC(F)(F)C1
Show InChI InChI=1S/C16H17F5N4O2/c1-14(2,3)13-23-12(24-27-13)9-4-11(26-8-16(19,20)21)10(5-22-9)25-6-15(17,18)7-25/h4-5H,6-8H2,1-3H3
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n/an/an/an/a 6.90n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395841
PNG
(3-tert-butyl-5-[5-cyclopropyl-4-(2,2,2-trifluoroet...)
Show SMILES CC(C)(C)c1noc(n1)-c1cc(OCC(F)(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C16H18F3N3O2/c1-15(2,3)14-21-13(24-22-14)11-6-12(23-8-16(17,18)19)10(7-20-11)9-4-5-9/h6-7,9H,4-5,8H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395846
PNG
(3-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluor...)
Show SMILES CC(C)c1nc(no1)-c1cc(OCC(F)(F)F)c(cn1)N1CC(F)(F)C1
Show InChI InChI=1S/C15H15F5N4O2/c1-8(2)13-22-12(23-26-13)9-3-11(25-7-15(18,19)20)10(4-21-9)24-5-14(16,17)6-24/h3-4,8H,5-7H2,1-2H3
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n/an/an/an/a 77.8n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395849
PNG
(5-tert-butyl-3-[5-cyclopropyl-4-[(2S)-1,1,1-triflu...)
Show SMILES C[C@H](Oc1cc(ncc1C1CC1)-c1noc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C17H20F3N3O2/c1-9(17(18,19)20)24-13-7-12(21-8-11(13)10-5-6-10)14-22-15(25-23-14)16(2,3)4/h7-10H,5-6H2,1-4H3/t9-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395855
PNG
(5-tert-butyl-3-[5-cyclopropyl-4-(oxetan-3-yloxy)py...)
Show SMILES CC(C)(C)c1nc(no1)-c1cc(OC2COC2)c(cn1)C1CC1
Show InChI InChI=1S/C17H21N3O3/c1-17(2,3)16-19-15(20-23-16)13-6-14(22-11-8-21-9-11)12(7-18-13)10-4-5-10/h6-7,10-11H,4-5,8-9H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395865
PNG
(2-(5-tert-butyl-1H-imidazol-2-yl)-5-(3,3-difluoroa...)
Show SMILES CC(C)(C)c1c[nH]c(n1)-c1cc(OCC(F)(F)F)c(cn1)N1CC(F)(F)C1
Show InChI InChI=1S/C17H19F5N4O/c1-15(2,3)13-6-24-14(25-13)10-4-12(27-9-17(20,21)22)11(5-23-10)26-7-16(18,19)8-26/h4-6H,7-9H2,1-3H3,(H,24,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395876
PNG
(5-tert-butyl-3-[5-cyclopropyl-4-(4-methylsulfonylp...)
Show SMILES CC(C)(C)c1nc(no1)-c1cc(Oc2ccc(cc2)S(C)(=O)=O)c(cn1)C1CC1
Show InChI InChI=1S/C21H23N3O4S/c1-21(2,3)20-23-19(24-28-20)17-11-18(16(12-22-17)13-5-6-13)27-14-7-9-15(10-8-14)29(4,25)26/h7-13H,5-6H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395886
PNG
(5-tert-butyl-3-[5-cyclopropyl-4-[2-[(2-methylpropa...)
Show SMILES CC(C)(C)OCCOc1cc(ncc1C1CC1)-c1noc(n1)C(C)(C)C
Show InChI InChI=1S/C20H29N3O3/c1-19(2,3)18-22-17(23-26-18)15-11-16(14(12-21-15)13-7-8-13)24-9-10-25-20(4,5)6/h11-13H,7-10H2,1-6H3
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n/an/an/an/a 35.6n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395890
PNG
(5-tert-butyl-3-[5-cyclopropyl-4-(3-methoxybutoxy)p...)
Show SMILES COC(C)CCOc1cc(ncc1C1CC1)-c1noc(n1)C(C)(C)C
Show InChI InChI=1S/C19H27N3O3/c1-12(23-5)8-9-24-16-10-15(20-11-14(16)13-6-7-13)17-21-18(25-22-17)19(2,3)4/h10-13H,6-9H2,1-5H3
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n/an/an/an/a 16.2n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395893
PNG
(5-tert-butyl-3-[5-cyclopropyl-4-(1-ethylpyrrolidin...)
Show SMILES CCN1CCC(C1)Oc1cc(ncc1C1CC1)-c1noc(n1)C(C)(C)C
Show InChI InChI=1S/C20H28N4O2/c1-5-24-9-8-14(12-24)25-17-10-16(21-11-15(17)13-6-7-13)18-22-19(26-23-18)20(2,3)4/h10-11,13-14H,5-9,12H2,1-4H3
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n/an/an/an/a 768n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395899
PNG
(US10308659, Example 98)
Show SMILES CC(C)(C)c1nnc(o1)-c1cc(OC2CCOCC2)c(cn1)C1CC1
Show InChI InChI=1S/C19H25N3O3/c1-19(2,3)18-22-21-17(25-18)15-10-16(14(11-20-15)12-4-5-12)24-13-6-8-23-9-7-13/h10-13H,4-9H2,1-3H3
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n/an/an/an/a 42n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395900
PNG
(5-tert-butyl-3-[5-cyclopropyl-4-(1-methylpiperidin...)
Show SMILES CN1CCCC(C1)Oc1cc(ncc1C1CC1)-c1noc(n1)C(C)(C)C
Show InChI InChI=1S/C20H28N4O2/c1-20(2,3)19-22-18(23-26-19)16-10-17(15(11-21-16)13-7-8-13)25-14-6-5-9-24(4)12-14/h10-11,13-14H,5-9,12H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395902
PNG
(2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopr...)
Show SMILES CCN(CC)CC(C)Oc1cc(ncc1C1CC1)-c1noc(n1)C(C)(C)C
Show InChI InChI=1S/C21H32N4O2/c1-7-25(8-2)13-14(3)26-18-11-17(22-12-16(18)15-9-10-15)19-23-20(27-24-19)21(4,5)6/h11-12,14-15H,7-10,13H2,1-6H3
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n/an/an/an/a 142n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395903
PNG
(3-[[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclop...)
Show SMILES CC(C)(C)c1nc(no1)-c1cc(OCC2COCCN2)c(cn1)C1CC1
Show InChI InChI=1S/C19H26N4O3/c1-19(2,3)18-22-17(23-26-18)15-8-16(14(9-21-15)12-4-5-12)25-11-13-10-24-7-6-20-13/h8-9,12-13,20H,4-7,10-11H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395904
PNG
(4-[2-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cycl...)
Show SMILES CC(C)(C)c1nc(no1)-c1cc(OCCN2CCOCC2)c(cn1)C1CC1
Show InChI InChI=1S/C20H28N4O3/c1-20(2,3)19-22-18(23-27-19)16-12-17(15(13-21-16)14-4-5-14)26-11-8-24-6-9-25-10-7-24/h12-14H,4-11H2,1-3H3
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n/an/an/an/a 28.9n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395905
PNG
(5-tert-butyl-3-(5-cyclopropyl-4-piperidin-3-yloxyp...)
Show SMILES CC(C)(C)c1nc(no1)-c1cc(OC2CCCNC2)c(cn1)C1CC1
Show InChI InChI=1S/C19H26N4O2/c1-19(2,3)18-22-17(23-25-18)15-9-16(14(11-21-15)12-6-7-12)24-13-5-4-8-20-10-13/h9,11-13,20H,4-8,10H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395906
PNG
(5-tert-butyl-3-[5-cyclopropyl-4-[(3-fluorooxetan-3...)
Show SMILES CC(C)(C)c1nc(no1)-c1cc(OCC2(F)COC2)c(cn1)C1CC1
Show InChI InChI=1S/C18H22FN3O3/c1-17(2,3)16-21-15(22-25-16)13-6-14(12(7-20-13)11-4-5-11)24-10-18(19)8-23-9-18/h6-7,11H,4-5,8-10H2,1-3H3
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n/an/an/an/a 29.1n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395913
PNG
(5-tert-butyl-3-(6-chloro-5-cyclopropyl-4-(4-fluoro...)
Show SMILES CC(C)(C)c1nc(no1)-c1cc(OCc2ccc(F)cc2)c(C2CC2)c(Cl)n1
Show InChI InChI=1S/C21H21ClFN3O2/c1-21(2,3)20-25-19(26-28-20)15-10-16(17(13-6-7-13)18(22)24-15)27-11-12-4-8-14(23)9-5-12/h4-5,8-10,13H,6-7,11H2,1-3H3
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n/an/an/an/a 4.80n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395921
PNG
(2-tert-butyl-5-[5-cyclopropyl-4-[(2S)-1,1,1-triflu...)
Show SMILES C[C@H](Oc1cc(ncc1C1CC1)-c1nnc(o1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C17H20F3N3O2/c1-9(17(18,19)20)24-13-7-12(21-8-11(13)10-5-6-10)14-22-23-15(25-14)16(2,3)4/h7-10H,5-6H2,1-4H3/t9-/m0/s1
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n/an/an/an/a 63n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395924
PNG
(3-tert-butyl-5-(5-cyclopropyl-4-(2,2-difluoroethox...)
Show SMILES CC(C)(C)c1noc(n1)-c1cc(OCC(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C16H19F2N3O2/c1-16(2,3)15-20-14(23-21-15)11-6-12(22-8-13(17)18)10(7-19-11)9-4-5-9/h6-7,9,13H,4-5,8H2,1-3H3
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n/an/an/an/a 2n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395808
PNG
(3-cyclopropyl-5-[5-cyclopropyl-4-(2,2,2-trifluoroe...)
Show SMILES FC(F)(F)COc1cc(ncc1C1CC1)-c1nc(no1)C1CC1
Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)7-22-12-5-11(19-6-10(12)8-1-2-8)14-20-13(21-23-14)9-3-4-9/h5-6,8-9H,1-4,7H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395818
PNG
(3-tert-butyl-5-[5-(3,3-difluoroazetidin-1-yl)-4-(2...)
Show SMILES CC(C)(C)c1noc(n1)-c1cc(OCC(F)(F)F)c(cn1)N1CC(F)(F)C1
Show InChI InChI=1S/C16H17F5N4O2/c1-14(2,3)13-23-12(27-24-13)9-4-11(26-8-16(19,20)21)10(5-22-9)25-6-15(17,18)7-25/h4-5H,6-8H2,1-3H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395824
PNG
(1-[3-[5-cyclopropyl-4-(cyclopropylmethoxy)pyridin-...)
Show SMILES OC1(CC1)c1nc(no1)-c1cc(OCC2CC2)c(cn1)C1CC1
Show InChI InChI=1S/C17H19N3O3/c21-17(5-6-17)16-19-15(20-23-16)13-7-14(22-9-10-1-2-10)12(8-18-13)11-3-4-11/h7-8,10-11,21H,1-6,9H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395835
PNG
(3-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridin-...)
Show SMILES CC1(CC1)c1nc(no1)-c1cc(OCC(F)(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C16H16F3N3O2/c1-15(4-5-15)14-21-13(22-24-14)11-6-12(23-8-16(17,18)19)10(7-20-11)9-2-3-9/h6-7,9H,2-5,8H2,1H3
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n/an/an/an/a 14.7n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395839
PNG
(3-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridin-...)
Show SMILES CC1(COC1)c1nc(no1)-c1cc(OCC(F)(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C16H16F3N3O3/c1-15(6-23-7-15)14-21-13(22-25-14)11-4-12(24-8-16(17,18)19)10(5-20-11)9-2-3-9/h4-5,9H,2-3,6-8H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395840
PNG
(3-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridin-...)
Show SMILES FC(F)(F)COc1cc(ncc1C1CC1)-c1ncon1
Show InChI InChI=1S/C12H10F3N3O2/c13-12(14,15)5-19-10-3-9(11-17-6-20-18-11)16-4-8(10)7-1-2-7/h3-4,6-7H,1-2,5H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395842
PNG
(2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridin-...)
Show SMILES CC1(C)CN=C(O1)c1cc(OCC(F)(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C15H17F3N2O2/c1-14(2)7-20-13(22-14)11-5-12(21-8-15(16,17)18)10(6-19-11)9-3-4-9/h5-6,9H,3-4,7-8H2,1-2H3
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n/an/an/an/a 53.9n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395834
PNG
(US10308659, Example 33 | US10308659, Example 44)
Show SMILES CC(C)(C)c1nc(no1)-c1cc(OCC(F)(F)F)c(cn1)N1CC(F)(F)C1
Show InChI InChI=1S/C16H17F5N4O2/c1-14(2,3)13-23-12(24-27-13)9-4-11(26-8-16(19,20)21)10(5-22-9)25-6-15(17,18)7-25/h4-5H,6-8H2,1-3H3
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n/an/an/an/a 15.9n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395848
PNG
(3-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluor...)
Show SMILES CC1(COC1)c1nc(no1)-c1cc(OCC(F)(F)F)c(cn1)N1CC(F)(F)C1
Show InChI InChI=1S/C16H15F5N4O3/c1-14(6-26-7-14)13-23-12(24-28-13)9-2-11(27-8-16(19,20)21)10(3-22-9)25-4-15(17,18)5-25/h2-3H,4-8H2,1H3
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n/an/an/an/a 166n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395848
PNG
(3-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluor...)
Show SMILES CC1(COC1)c1nc(no1)-c1cc(OCC(F)(F)F)c(cn1)N1CC(F)(F)C1
Show InChI InChI=1S/C16H15F5N4O3/c1-14(6-26-7-14)13-23-12(24-28-13)9-2-11(27-8-16(19,20)21)10(3-22-9)25-4-15(17,18)5-25/h2-3H,4-8H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395855
PNG
(5-tert-butyl-3-[5-cyclopropyl-4-(oxetan-3-yloxy)py...)
Show SMILES CC(C)(C)c1nc(no1)-c1cc(OC2COC2)c(cn1)C1CC1
Show InChI InChI=1S/C17H21N3O3/c1-17(2,3)16-19-15(20-23-16)13-6-14(22-11-8-21-9-11)12(7-18-13)10-4-5-10/h6-7,10-11H,4-5,8-9H2,1-3H3
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n/an/an/an/a 33.1n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395856
PNG
(5-tert-butyl-3-[5-cyclopropyl-4-[(3-methyloxetan-3...)
Show SMILES CC(C)(C)c1nc(no1)-c1cc(OCC2(C)COC2)c(cn1)C1CC1
Show InChI InChI=1S/C19H25N3O3/c1-18(2,3)17-21-16(22-25-17)14-7-15(13(8-20-14)12-5-6-12)24-11-19(4)9-23-10-19/h7-8,12H,5-6,9-11H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395857
PNG
(5-tert-butyl-3-[5-cyclopropyl-4-(oxolan-2-ylmethox...)
Show SMILES CC(C)(C)c1nc(no1)-c1cc(OCC2CCCO2)c(cn1)C1CC1
Show InChI InChI=1S/C19H25N3O3/c1-19(2,3)18-21-17(22-25-18)15-9-16(14(10-20-15)12-6-7-12)24-11-13-5-4-8-23-13/h9-10,12-13H,4-8,11H2,1-3H3
PDB

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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395860
PNG
(5-tert-butyl-3-[5-cyclopropyl-4-(1-methylpyrrolidi...)
Show SMILES CN1CCC(C1)Oc1cc(ncc1C1CC1)-c1noc(n1)C(C)(C)C
Show InChI InChI=1S/C19H26N4O2/c1-19(2,3)18-21-17(22-25-18)15-9-16(14(10-20-15)12-5-6-12)24-13-7-8-23(4)11-13/h9-10,12-13H,5-8,11H2,1-4H3
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n/an/an/an/a 48.1n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395867
PNG
(2-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridin-...)
Show SMILES CC(C)C1(C)N=C(NC1=O)c1cc(OCC(F)(F)F)c(cn1)C1CC1
Show InChI InChI=1S/C17H20F3N3O2/c1-9(2)16(3)15(24)22-14(23-16)12-6-13(25-8-17(18,19)20)11(7-21-12)10-4-5-10/h6-7,9-10H,4-5,8H2,1-3H3,(H,22,23,24)
PDB

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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395868
PNG
(5-tert-butyl-3-[5-methylsulfonyl-4-(2,2,2-trifluor...)
Show SMILES CC(C)(C)c1nc(no1)-c1cc(OCC(F)(F)F)c(cn1)S(C)(=O)=O
Show InChI InChI=1S/C14H16F3N3O4S/c1-13(2,3)12-19-11(20-24-12)8-5-9(23-7-14(15,16)17)10(6-18-8)25(4,21)22/h5-6H,7H2,1-4H3
PDB

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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395874
PNG
(1-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-5-cyclopr...)
Show SMILES CC(C)(C)c1nc(no1)-c1cc(N2CCC(O)C2)c(cn1)C1CC1
Show InChI InChI=1S/C18H24N4O2/c1-18(2,3)17-20-16(21-24-17)14-8-15(22-7-6-12(23)10-22)13(9-19-14)11-4-5-11/h8-9,11-12,23H,4-7,10H2,1-3H3
PDB

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n/an/an/an/a 57.2n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395884
PNG
(5-tert-butyl-3-[5-cyclopropyl-4-(2-ethoxyethoxy)py...)
Show SMILES CCOCCOc1cc(ncc1C1CC1)-c1noc(n1)C(C)(C)C
Show InChI InChI=1S/C18H25N3O3/c1-5-22-8-9-23-15-10-14(19-11-13(15)12-6-7-12)16-20-17(24-21-16)18(2,3)4/h10-12H,5-9H2,1-4H3
PDB

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n/an/an/an/a 30.1n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395887
PNG
(5-tert-butyl-3-[5-cyclopropyl-4-[1-[(2-methylpropa...)
Show SMILES CC(COC(C)(C)C)Oc1cc(ncc1C1CC1)-c1noc(n1)C(C)(C)C
Show InChI InChI=1S/C21H31N3O3/c1-13(12-25-21(5,6)7)26-17-10-16(22-11-15(17)14-8-9-14)18-23-19(27-24-18)20(2,3)4/h10-11,13-14H,8-9,12H2,1-7H3
PDB

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n/an/an/an/a 1.40E+3n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM395896
PNG
(5-tert-butyl-3-[5-cyclopropyl-4-(2-piperidin-1-yle...)
Show SMILES CC(C)(C)c1nc(no1)-c1cc(OCCN2CCCCC2)c(cn1)C1CC1
Show InChI InChI=1S/C21H30N4O2/c1-21(2,3)20-23-19(24-27-20)17-13-18(16(14-22-17)15-7-8-15)26-12-11-25-9-5-4-6-10-25/h13-15H,4-12H2,1-3H3
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n/an/an/an/a 26.1n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM395898
PNG
(5-tert-butyl-3-[5-cyclopropyl-4-[(1-methylpiperidi...)
Show SMILES CN1CCCCC1COc1cc(ncc1C1CC1)-c1noc(n1)C(C)(C)C
Show InChI InChI=1S/C21H30N4O2/c1-21(2,3)20-23-19(24-27-20)17-11-18(16(12-22-17)14-8-9-14)26-13-15-7-5-6-10-25(15)4/h11-12,14-15H,5-10,13H2,1-4H3
PDB

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n/an/an/an/a>1.00E+4n/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (Perki...


US Patent US10308659 (2019)

More data for this
Ligand-Target Pair
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