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Compile Data Set for Download or QSAR

Found 259 hits Enz. Inhib. hit(s) with Target = 'GABA B'   
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
GABA B receptor


(Rattus norvegicus)
BDBM360710
PNG
(US9828381, 5-1)
Show SMILES CCCC(c1cc2nc(C)cc(N3CCCCC3CCO)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C24H31ClN4O/c1-3-6-21(18-8-10-19(25)11-9-18)22-16-23-26-17(2)15-24(29(23)27-22)28-13-5-4-7-20(28)12-14-30/h8-11,15-16,20-21,30H,3-7,12-14H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360708
PNG
(US9828381, 4-1)
Show SMILES CC(C)C(c1cc2nc(C)cc(N3CCCCC3CCO)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C24H31ClN4O/c1-16(2)24(18-7-9-19(25)10-8-18)21-15-22-26-17(3)14-23(29(22)27-21)28-12-5-4-6-20(28)11-13-30/h7-10,14-16,20,24,30H,4-6,11-13H2,1-3H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360711
PNG
(US9828381, 5-2)
Show SMILES CCCC(c1cc2nc(C)cc(N3CCCC(F)(F)C3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H25ClF2N4/c1-3-5-18(16-6-8-17(23)9-7-16)19-13-20-26-15(2)12-21(29(20)27-19)28-11-4-10-22(24,25)14-28/h6-9,12-13,18H,3-5,10-11,14H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360706
PNG
(US9828381, 3-1)
Show SMILES CCC(c1cc2nc(C)cc(N3CCCCC3CCO)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C23H29ClN4O/c1-3-20(17-7-9-18(24)10-8-17)21-15-22-25-16(2)14-23(28(22)26-21)27-12-5-4-6-19(27)11-13-29/h7-10,14-15,19-20,29H,3-6,11-13H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360709
PNG
(US9828381, 4-2)
Show SMILES CC(C)C(c1cc2nc(C)cc(N3CCCC(F)(F)C3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H25ClF2N4/c1-14(2)21(16-5-7-17(23)8-6-16)18-12-19-26-15(3)11-20(29(19)27-18)28-10-4-9-22(24,25)13-28/h5-8,11-12,14,21H,4,9-10,13H2,1-3H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360707
PNG
(US9828381, 3-2)
Show SMILES CCC(c1cc2nc(C)cc(N3CCCC(F)(F)C3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C21H23ClF2N4/c1-3-17(15-5-7-16(22)8-6-15)18-12-19-25-14(2)11-20(28(19)26-18)27-10-4-9-21(23,24)13-27/h5-8,11-12,17H,3-4,9-10,13H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360693
PNG
(US9828381, 2-11)
Show SMILES CC(c1cc2nc(C)cc(N3CCC[C@@H](O)C3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN4O/c1-13-10-20(24-9-3-4-17(26)12-24)25-19(22-13)11-18(23-25)14(2)15-5-7-16(21)8-6-15/h5-8,10-11,14,17,26H,3-4,9,12H2,1-2H3/t14?,17-/m1/s1
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360704
PNG
(US9828381, 2-22)
Show SMILES CC[C@@H]1CCCCN1c1cc(C)nc2cc(nn12)C(C)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H27ClN4/c1-4-19-7-5-6-12-26(19)22-13-15(2)24-21-14-20(25-27(21)22)16(3)17-8-10-18(23)11-9-17/h8-11,13-14,16,19H,4-7,12H2,1-3H3/t16?,19-/m1/s1
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360690
PNG
(US9828381, 2-8)
Show SMILES CC(c1cc2nc(C)cc(NC(C)(C)C)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C19H23ClN4/c1-12-10-18(22-19(3,4)5)24-17(21-12)11-16(23-24)13(2)14-6-8-15(20)9-7-14/h6-11,13,22H,1-5H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360717
PNG
(US9828381, 8-2)
Show SMILES CC(c1cc2nc(C)cc(N3CCCCC3CCO)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C23H27F3N4O/c1-15-13-22(29-11-4-3-5-19(29)10-12-31)30-21(27-15)14-20(28-30)16(2)17-6-8-18(9-7-17)23(24,25)26/h6-9,13-14,16,19,31H,3-5,10-12H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360702
PNG
(US9828381, 2-20)
Show SMILES CC(c1cc2nc(C)cc(N3CCC4(CCC4O)C3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H25ClN4O/c1-14-11-21(26-10-9-22(13-26)8-7-19(22)28)27-20(24-14)12-18(25-27)15(2)16-3-5-17(23)6-4-16/h3-6,11-12,15,19,28H,7-10,13H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360683
PNG
(US9828381, 2-1)
Show SMILES CC(c1cc2nc(C)cc(N3CCCCC3CCO)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H27ClN4O/c1-15-13-22(26-11-4-3-5-19(26)10-12-28)27-21(24-15)14-20(25-27)16(2)17-6-8-18(23)9-7-17/h6-9,13-14,16,19,28H,3-5,10-12H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360686
PNG
(US9828381, 2-4)
Show SMILES CC(c1cc2nc(C)cc(N3CCC(F)CC3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C20H22ClFN4/c1-13-11-20(25-9-7-17(22)8-10-25)26-19(23-13)12-18(24-26)14(2)15-3-5-16(21)6-4-15/h3-6,11-12,14,17H,7-10H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360687
PNG
(US9828381, 2-5)
Show SMILES CC(c1cc2nc(C)cc(N3CCCCC3CO)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C21H25ClN4O/c1-14-11-21(25-10-4-3-5-18(25)13-27)26-20(23-14)12-19(24-26)15(2)16-6-8-17(22)9-7-16/h6-9,11-12,15,18,27H,3-5,10,13H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360692
PNG
(US9828381, 2-10)
Show SMILES CC(c1cc2nc(C)cc(N3CCC[C@H](O)C3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN4O/c1-13-10-20(24-9-3-4-17(26)12-24)25-19(22-13)11-18(23-25)14(2)15-5-7-16(21)8-6-15/h5-8,10-11,14,17,26H,3-4,9,12H2,1-2H3/t14?,17-/m0/s1
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360696
PNG
(US9828381, 2-14)
Show SMILES CC(c1cc2nc(C)cc(NC3CC(F)C3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C19H20ClFN4/c1-11-7-18(23-16-8-15(21)9-16)25-19(22-11)10-17(24-25)12(2)13-3-5-14(20)6-4-13/h3-7,10,12,15-16,23H,8-9H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360689
PNG
(US9828381, 2-7)
Show SMILES CC(c1cc2nc(C)cc(N3CCCC(F)(F)C3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C20H21ClF2N4/c1-13-10-19(26-9-3-8-20(22,23)12-26)27-18(24-13)11-17(25-27)14(2)15-4-6-16(21)7-5-15/h4-7,10-11,14H,3,8-9,12H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360688
PNG
(US9828381, 2-6)
Show SMILES CC(c1cc2nc(C)cc(N3CCCC(F)C3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C20H22ClFN4/c1-13-10-20(25-9-3-4-17(22)12-25)26-19(23-13)11-18(24-26)14(2)15-5-7-16(21)8-6-15/h5-8,10-11,14,17H,3-4,9,12H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360734
PNG
(US9828381, 8-19)
Show SMILES CC(c1cc2nc(C)cc(NC(C)(C)C)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C20H23F3N4/c1-12-10-18(25-19(3,4)5)27-17(24-12)11-16(26-27)13(2)14-6-8-15(9-7-14)20(21,22)23/h6-11,13,25H,1-5H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360724
PNG
(US9828381, 8-9)
Show SMILES CC(c1cc2nc(C)cc(N3CCCCC3CO)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C22H25F3N4O/c1-14-11-21(28-10-4-3-5-18(28)13-30)29-20(26-14)12-19(27-29)15(2)16-6-8-17(9-7-16)22(23,24)25/h6-9,11-12,15,18,30H,3-5,10,13H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360720
PNG
((3R)-1-(5-methyl-2-{1-[4-(trifluoromethyl)phenyl]e...)
Show SMILES CC(c1cc2nc(C)cc(N3CCC[C@@H](O)C3)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O/c1-13-10-20(27-9-3-4-17(29)12-27)28-19(25-13)11-18(26-28)14(2)15-5-7-16(8-6-15)21(22,23)24/h5-8,10-11,14,17,29H,3-4,9,12H2,1-2H3/t14?,17-/m1/s1
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360727
PNG
(US9828381, 8-12)
Show SMILES CC(c1cc2nc(C)cc(N3CCCC(F)C3)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C21H22F4N4/c1-13-10-20(28-9-3-4-17(22)12-28)29-19(26-13)11-18(27-29)14(2)15-5-7-16(8-6-15)21(23,24)25/h5-8,10-11,14,17H,3-4,9,12H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360726
PNG
(US9828381, 8-11)
Show SMILES CC(c1cc2nc(C)cc(N3CCC(F)CC3)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C21H22F4N4/c1-13-11-20(28-9-7-17(22)8-10-28)29-19(26-13)12-18(27-29)14(2)15-3-5-16(6-4-15)21(23,24)25/h3-6,11-12,14,17H,7-10H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360703
PNG
(US9828381, 2-21)
Show SMILES CC(c1cc2nc(C)cc(NC3CC(F)(F)C3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C19H19ClF2N4/c1-11-7-17(24-15-9-19(21,22)10-15)26-18(23-11)8-16(25-26)12(2)13-3-5-14(20)6-4-13/h3-8,12,15,24H,9-10H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360718
PNG
(US9828381, 8-3)
Show SMILES CC(c1cc2nc(C)cc(N3CCC4(COC4)C3)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C22H23F3N4O/c1-14-9-20(28-8-7-21(11-28)12-30-13-21)29-19(26-14)10-18(27-29)15(2)16-3-5-17(6-4-16)22(23,24)25/h3-6,9-10,15H,7-8,11-13H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360684
PNG
(US9828381, 2-2)
Show SMILES CC(c1cc2nc(C)cc(NC3(C)CC3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C19H21ClN4/c1-12-10-18(22-19(3)8-9-19)24-17(21-12)11-16(23-24)13(2)14-4-6-15(20)7-5-14/h4-7,10-11,13,22H,8-9H2,1-3H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360695
PNG
(US9828381, 2-13)
Show SMILES CC(c1cc2nc(C)cc(N3CC4(C3)CCOCC4)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H25ClN4O/c1-15-11-21(26-13-22(14-26)7-9-28-10-8-22)27-20(24-15)12-19(25-27)16(2)17-3-5-18(23)6-4-17/h3-6,11-12,16H,7-10,13-14H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360700
PNG
(US9828381, 2-18)
Show SMILES CC(c1cc2nc(C)cc(N[C@@H]3C[C@H](O)C3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C19H21ClN4O/c1-11-7-18(22-15-8-16(25)9-15)24-19(21-11)10-17(23-24)12(2)13-3-5-14(20)6-4-13/h3-7,10,12,15-16,22,25H,8-9H2,1-2H3/t12?,15-,16+
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360735
PNG
(US9828381, 8-20)
Show SMILES CC(c1cc2nc(C)cc(NC3CC(F)(F)C3)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C20H19F5N4/c1-11-7-17(27-15-9-19(21,22)10-15)29-18(26-11)8-16(28-29)12(2)13-3-5-14(6-4-13)20(23,24)25/h3-8,12,15,27H,9-10H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360685
PNG
(US9828381, 2-3)
Show SMILES CC(c1cc2nc(C)cc(N3CCC(F)(F)C3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C19H19ClF2N4/c1-12-9-18(25-8-7-19(21,22)11-25)26-17(23-12)10-16(24-26)13(2)14-3-5-15(20)6-4-14/h3-6,9-10,13H,7-8,11H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360721
PNG
(US9828381, 8-6)
Show SMILES CC(c1cc2nc(C)cc(NC3CC(F)C3)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C20H20F4N4/c1-11-7-18(26-16-8-15(21)9-16)28-19(25-11)10-17(27-28)12(2)13-3-5-14(6-4-13)20(22,23)24/h3-7,10,12,15-16,26H,8-9H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360736
PNG
(US9828381, 8-21)
Show SMILES CC(c1cc2nc(C)cc(N3CCC4(COC4)CC3)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C23H25F3N4O/c1-15-11-21(29-9-7-22(8-10-29)13-31-14-22)30-20(27-15)12-19(28-30)16(2)17-3-5-18(6-4-17)23(24,25)26/h3-6,11-12,16H,7-10,13-14H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360730
PNG
(US9828381, 8-15)
Show SMILES CC(c1cc2nc(C)cc(N3CCC(F)(F)C3)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C20H19F5N4/c1-12-9-18(28-8-7-19(21,22)11-28)29-17(26-12)10-16(27-29)13(2)14-3-5-15(6-4-14)20(23,24)25/h3-6,9-10,13H,7-8,11H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360698
PNG
(US9828381, 2-16)
Show SMILES CC(c1cc2nc(C)cc(NCC3CC(F)(F)C3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C20H21ClF2N4/c1-12-7-18(24-11-14-9-20(22,23)10-14)27-19(25-12)8-17(26-27)13(2)15-3-5-16(21)6-4-15/h3-8,13-14,24H,9-11H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360729
PNG
(US9828381, 8-14)
Show SMILES CC(c1cc2nc(C)cc(NCC3CC(F)(F)C3)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C21H21F5N4/c1-12-7-18(27-11-14-9-20(22,23)10-14)30-19(28-12)8-17(29-30)13(2)15-3-5-16(6-4-15)21(24,25)26/h3-8,13-14,27H,9-11H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360691
PNG
(US9828381, 2-9)
Show SMILES CC(c1cc2nc(C)cc(N3CCC4(COC4)CC3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H25ClN4O/c1-15-11-21(26-9-7-22(8-10-26)13-28-14-22)27-20(24-15)12-19(25-27)16(2)17-3-5-18(23)6-4-17/h3-6,11-12,16H,7-10,13-14H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360741
PNG
(US9828381, 9-4)
Show SMILES CC(c1cc2nc(C)cc(N3CCCC(F)(F)C3)n2n1)c1ccc(Cl)cn1
Show InChI InChI=1/C19H20ClF2N5/c1-12-8-18(26-7-3-6-19(21,22)11-26)27-17(24-12)9-16(25-27)13(2)15-5-4-14(20)10-23-15/h4-5,8-10,13H,3,6-7,11H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360733
PNG
(US9828381, 8-18)
Show SMILES CC(c1cc2nc(C)cc(N3CCCCC3=O)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C21H21F3N4O/c1-13-11-19(27-10-4-3-5-20(27)29)28-18(25-13)12-17(26-28)14(2)15-6-8-16(9-7-15)21(22,23)24/h6-9,11-12,14H,3-5,10H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360723
PNG
(US9828381, 8-8)
Show SMILES CC(c1cc2nc(C)cc(NC3(C)CC3)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C20H21F3N4/c1-12-10-18(25-19(3)8-9-19)27-17(24-12)11-16(26-27)13(2)14-4-6-15(7-5-14)20(21,22)23/h4-7,10-11,13,25H,8-9H2,1-3H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360732
PNG
(US9828381, 8-17)
Show SMILES CC(c1cc2nc(C)cc(N3CCCC(F)(F)C3)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C21H21F5N4/c1-13-10-19(29-9-3-8-20(22,23)12-29)30-18(27-13)11-17(28-30)14(2)15-4-6-16(7-5-15)21(24,25)26/h4-7,10-11,14H,3,8-9,12H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360737
PNG
(US9828381, 8-22)
Show SMILES CC(c1cc2nc(C)cc(N3CCC(C3)C(N)=O)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C21H22F3N5O/c1-12-9-19(28-8-7-15(11-28)20(25)30)29-18(26-12)10-17(27-29)13(2)14-3-5-16(6-4-14)21(22,23)24/h3-6,9-10,13,15H,7-8,11H2,1-2H3,(H2,25,30)
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360743
PNG
(US9828381, 9-6)
Show SMILES CC(c1cc2nc(C)cc(NC(C)(C)C)n2n1)c1ccc(Cl)cn1
Show InChI InChI=1/C18H22ClN5/c1-11-8-17(22-18(3,4)5)24-16(21-11)9-15(23-24)12(2)14-7-6-13(19)10-20-14/h6-10,12,22H,1-5H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360719
PNG
(US9828381, 8-4)
Show SMILES CC(c1cc2nc(C)cc(N3CC4(C3)CCOCC4)n2n1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C23H25F3N4O/c1-15-11-21(29-13-22(14-29)7-9-31-10-8-22)30-20(27-15)12-19(28-30)16(2)17-3-5-18(6-4-17)23(24,25)26/h3-6,11-12,16H,7-10,13-14H2,1-2H3
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n/an/an/an/a 827n/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360667
PNG
(US9828381, 1-6)
Show SMILES Cc1cc(N2CCC[C@H](O)C2)n2nc(Cc3ccc(Cl)cc3)cc2n1
Show InChI InChI=1S/C19H21ClN4O/c1-13-9-19(23-8-2-3-17(25)12-23)24-18(21-13)11-16(22-24)10-14-4-6-15(20)7-5-14/h4-7,9,11,17,25H,2-3,8,10,12H2,1H3/t17-/m0/s1
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n/an/an/an/a 974n/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360675
PNG
(US9828381, 1-14)
Show SMILES Cc1cc(NC(C)(C)C)n2nc(Cc3ccc(Cl)cc3)cc2n1
Show InChI InChI=1S/C18H21ClN4/c1-12-9-17(21-18(2,3)4)23-16(20-12)11-15(22-23)10-13-5-7-14(19)8-6-13/h5-9,11,21H,10H2,1-4H3
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n/an/an/an/a 1.03E+3n/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360713
PNG
(2-{1-[5-methyl-2-(tricyclo[3.3.1.13′]dec-1-y...)
Show SMILES OCCC1CCCCN1c1ccnc2cc(CC34CC5CC(CC(C5)C3)C4)nn12
Show InChI InChI=1/C24H34N4O/c29-8-5-21-3-1-2-7-27(21)23-4-6-25-22-12-20(26-28(22)23)16-24-13-17-9-18(14-24)11-19(10-17)15-24/h4,6,12,17-19,21,29H,1-3,5,7-11,13-16H2
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n/an/an/an/a 1.08E+3n/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360676
PNG
(US9828381, 1-15)
Show SMILES Cc1cc(NC2(CC2)C(F)(F)F)n2nc(Cc3ccc(Cl)cc3)cc2n1
Show InChI InChI=1S/C18H16ClF3N4/c1-11-8-16(24-17(6-7-17)18(20,21)22)26-15(23-11)10-14(25-26)9-12-2-4-13(19)5-3-12/h2-5,8,10,24H,6-7,9H2,1H3
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n/an/an/an/a 1.18E+3n/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360668
PNG
(US9828381, 1-7)
Show SMILES Cc1cc(N2CCC[C@@H](O)C2)n2nc(Cc3ccc(Cl)cc3)cc2n1
Show InChI InChI=1S/C19H21ClN4O/c1-13-9-19(23-8-2-3-17(25)12-23)24-18(21-13)11-16(22-24)10-14-4-6-15(20)7-5-14/h4-7,9,11,17,25H,2-3,8,10,12H2,1H3/t17-/m1/s1
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n/an/an/an/a 1.23E+3n/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360669
PNG
(US9828381, 1-8)
Show SMILES Cc1cc(N2CCC[C@H](CO)C2)n2nc(Cc3ccc(Cl)cc3)cc2n1
Show InChI InChI=1S/C20H23ClN4O/c1-14-9-20(24-8-2-3-16(12-24)13-26)25-19(22-14)11-18(23-25)10-15-4-6-17(21)7-5-15/h4-7,9,11,16,26H,2-3,8,10,12-13H2,1H3/t16-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
GABA B receptor


(Rattus norvegicus)
BDBM360701
PNG
(US9828381, 2-19)
Show SMILES CC(c1cc2nc(C)cc(N[C@H]3C[C@H](O)C3)n2n1)c1ccc(Cl)cc1
Show InChI InChI=1/C19H21ClN4O/c1-11-7-18(22-15-8-16(25)9-15)24-19(21-11)10-17(23-24)12(2)13-3-5-14(20)6-4-13/h3-7,10,12,15-16,22,25H,8-9H2,1-2H3/t12?,15-,16-
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n/an/an/an/a 1.31E+3n/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The composition of the assay mixtures [in a final volume of 200 μL in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, p...


US Patent US9828381 (2017)


Article DOI: 10.1021/jm070536w
More data for this
Ligand-Target Pair
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