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Patent code US9422312

Compile Data Set for Download or QSAR
Found 21 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
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240766
PNG
(US9422312, 2)
Show SMILES CNS(C)(=O)=Nc1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C26H26ClN5O5S/c1-28-38(2,34)32-17-9-7-15(8-10-17)14-3-5-16(6-4-14)22-18(27)11-19-25(30-22)31-26(29-19)37-21-13-36-23-20(33)12-35-24(21)23/h3-11,20-21,23-24,33H,12-13H2,1-2H3,(H,28,32,34)(H,29,30,31)/t20-,21-,23-,24-,38?/m1/s1
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n/an/an/an/a 20n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240765
PNG
(US9422312, 1)
Show SMILES CN(C)S(C)(=O)=Nc1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C27H28ClN5O5S/c1-33(2)39(3,35)32-18-10-8-16(9-11-18)15-4-6-17(7-5-15)23-19(28)12-20-26(30-23)31-27(29-20)38-22-14-37-24-21(34)13-36-25(22)24/h4-12,21-22,24-25,34H,13-14H2,1-3H3,(H,29,30,31)/t21-,22-,24-,25-,39?/m1/s1
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n/an/an/an/a 26n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240772
PNG
(US9422312, 8)
Show SMILES CCNS(C)(=O)=Nc1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C27H28ClN5O5S/c1-3-29-39(2,35)33-18-10-8-16(9-11-18)15-4-6-17(7-5-15)23-19(28)12-20-26(31-23)32-27(30-20)38-22-14-37-24-21(34)13-36-25(22)24/h4-12,21-22,24-25,34H,3,13-14H2,1-2H3,(H,29,33,35)(H,30,31,32)/t21-,22-,24-,25-,39?/m1/s1
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n/an/an/an/a 61n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240785
PNG
(US9422312, 17)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)N1CCCS1(=O)=NC#N
Show InChI InChI=1S/C28H25ClN6O5S/c29-20-12-21-27(34-28(32-21)40-23-14-39-25-22(36)13-38-26(23)25)33-24(20)18-4-2-16(3-5-18)17-6-8-19(9-7-17)35-10-1-11-41(35,37)31-15-30/h2-9,12,22-23,25-26,36H,1,10-11,13-14H2,(H,32,33,34)/t22-,23-,25-,26-,41?/m1/s1
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n/an/an/an/a 202n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240781
PNG
(US9422312, 18)
Show SMILES CNS(=O)(=NC)c1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C26H26ClN5O5S/c1-28-38(34,29-2)17-9-7-15(8-10-17)14-3-5-16(6-4-14)22-18(27)11-19-25(31-22)32-26(30-19)37-21-13-36-23-20(33)12-35-24(21)23/h3-11,20-21,23-24,33H,12-13H2,1-2H3,(H,28,29,34)(H,30,31,32)/t20-,21-,23-,24-/m1/s1
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n/an/an/an/a 67n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240783
PNG
(US9422312, 20)
Show SMILES CN(C)S(C)(=O)=NCc1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C28H30ClN5O5S/c1-34(2)40(3,36)30-13-16-4-6-17(7-5-16)18-8-10-19(11-9-18)24-20(29)12-21-27(32-24)33-28(31-21)39-23-15-38-25-22(35)14-37-26(23)25/h4-12,22-23,25-26,35H,13-15H2,1-3H3,(H,31,32,33)/t22-,23-,25-,26-,40?/m1/s1
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n/an/an/an/a 82n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240768
PNG
(US9422312, 4)
Show SMILES CCN(C)S(C)(=O)=Nc1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C28H30ClN5O5S/c1-4-34(2)40(3,36)33-19-11-9-17(10-12-19)16-5-7-18(8-6-16)24-20(29)13-21-27(31-24)32-28(30-21)39-23-15-38-25-22(35)14-37-26(23)25/h5-13,22-23,25-26,35H,4,14-15H2,1-3H3,(H,30,31,32)/t22-,23-,25-,26-,40?/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240773
PNG
(US9422312, 9)
Show SMILES CS(=O)(NC1CC1)=Nc1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C28H28ClN5O5S/c1-40(36,34-19-10-11-19)33-18-8-6-16(7-9-18)15-2-4-17(5-3-15)24-20(29)12-21-27(31-24)32-28(30-21)39-23-14-38-25-22(35)13-37-26(23)25/h2-9,12,19,22-23,25-26,35H,10-11,13-14H2,1H3,(H,30,31,32)(H,33,34,36)/t22-,23-,25-,26-,40?/m1/s1
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n/an/an/an/a 89n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240784
PNG
(US9422312, 21)
Show SMILES CN(C)S(C)(=O)=Nc1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C21H24ClN5O5S/c1-27(2)33(3,29)26-12-6-4-11(5-7-12)17-13(22)8-14-20(24-17)25-21(23-14)32-16-10-31-18-15(28)9-30-19(16)18/h4-8,15-16,18-19,28H,9-10H2,1-3H3,(H,23,24,25)/t15-,16-,18-,19-,33?/m1/s1
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n/an/an/an/a 2.90E+3n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240776
PNG
(US9422312, 12)
Show SMILES CN(C)S(=N)(=O)c1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C26H26ClN5O5S/c1-32(2)38(28,34)17-9-7-15(8-10-17)14-3-5-16(6-4-14)22-18(27)11-19-25(30-22)31-26(29-19)37-21-13-36-23-20(33)12-35-24(21)23/h3-11,20-21,23-24,28,33H,12-13H2,1-2H3,(H,29,30,31)/t20-,21-,23-,24-,38?/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240777
PNG
(US9422312, 13)
Show SMILES CN(C)S(C)(=O)=Nc1cnc(nc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C25H26ClN7O5S/c1-33(2)39(3,35)32-15-9-27-23(28-10-15)14-6-4-13(5-7-14)20-16(26)8-17-24(30-20)31-25(29-17)38-19-12-37-21-18(34)11-36-22(19)21/h4-10,18-19,21-22,34H,11-12H2,1-3H3,(H,29,30,31)/t18-,19-,21-,22-,39?/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240778
PNG
(US9422312, 14)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)-c1ccc(CN2CCCS2(=N)=O)cc1
Show InChI InChI=1S/C28H28ClN5O5S/c29-20-12-21-27(33-28(31-21)39-23-15-38-25-22(35)14-37-26(23)25)32-24(20)19-8-6-18(7-9-19)17-4-2-16(3-5-17)13-34-10-1-11-40(34,30)36/h2-9,12,22-23,25-26,30,35H,1,10-11,13-15H2,(H,31,32,33)/t22-,23-,25-,26-,40?/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240774
PNG
(US9422312, 10)
Show SMILES CN(C)S(C)(=O)=Nc1ccc(nc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C26H27ClN6O5S/c1-33(2)39(3,35)32-16-8-9-18(28-11-16)14-4-6-15(7-5-14)22-17(27)10-19-25(30-22)31-26(29-19)38-21-13-37-23-20(34)12-36-24(21)23/h4-11,20-21,23-24,34H,12-13H2,1-3H3,(H,29,30,31)/t20-,21-,23-,24-,39?/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240779
PNG
(US9422312, 15)
Show SMILES CN=S(=O)(N(C)C)c1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C27H28ClN5O5S/c1-29-39(35,33(2)3)18-10-8-16(9-11-18)15-4-6-17(7-5-15)23-19(28)12-20-26(31-23)32-27(30-20)38-22-14-37-24-21(34)13-36-25(22)24/h4-12,21-22,24-25,34H,13-14H2,1-3H3,(H,30,31,32)/t21-,22-,24-,25-,39?/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240767
PNG
(US9422312, 3)
Show SMILES CC(C)NS(C)(=O)=Nc1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C28H30ClN5O5S/c1-15(2)33-40(3,36)34-19-10-8-17(9-11-19)16-4-6-18(7-5-16)24-20(29)12-21-27(31-24)32-28(30-21)39-23-14-38-25-22(35)13-37-26(23)25/h4-12,15,22-23,25-26,35H,13-14H2,1-3H3,(H,30,31,32)(H,33,34,36)/t22-,23-,25-,26-,40?/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240769
PNG
(US9422312, 5)
Show SMILES CS(=O)(=Nc1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl)N1CCC1
Show InChI InChI=1S/C28H28ClN5O5S/c1-40(36,34-11-2-12-34)33-19-9-7-17(8-10-19)16-3-5-18(6-4-16)24-20(29)13-21-27(31-24)32-28(30-21)39-23-15-38-25-22(35)14-37-26(23)25/h3-10,13,22-23,25-26,35H,2,11-12,14-15H2,1H3,(H,30,31,32)/t22-,23-,25-,26-,40?/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240770
PNG
(US9422312, 6)
Show SMILES CS(=O)(=Nc1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl)N1CCCC1
Show InChI InChI=1S/C29H30ClN5O5S/c1-41(37,35-12-2-3-13-35)34-20-10-8-18(9-11-20)17-4-6-19(7-5-17)25-21(30)14-22-28(32-25)33-29(31-22)40-24-16-39-26-23(36)15-38-27(24)26/h4-11,14,23-24,26-27,36H,2-3,12-13,15-16H2,1H3,(H,31,32,33)/t23-,24-,26-,27-,41?/m1/s1
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n/an/an/an/a 54n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240771
PNG
(US9422312, 7)
Show SMILES CS(=O)(NC1CCC1)=Nc1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C29H30ClN5O5S/c1-41(37,34-19-3-2-4-19)35-20-11-9-17(10-12-20)16-5-7-18(8-6-16)25-21(30)13-22-28(32-25)33-29(31-22)40-24-15-39-26-23(36)14-38-27(24)26/h5-13,19,23-24,26-27,36H,2-4,14-15H2,1H3,(H,31,32,33)(H,34,35,37)/t23-,24-,26-,27-,41?/m1/s1
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n/an/an/an/a 37n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240775
PNG
(US9422312, 11)
Show SMILES CNS(C)(=O)=Nc1ccc(nc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C25H25ClN6O5S/c1-27-38(2,34)32-15-7-8-17(28-10-15)13-3-5-14(6-4-13)21-16(26)9-18-24(30-21)31-25(29-18)37-20-12-36-22-19(33)11-35-23(20)22/h3-10,19-20,22-23,33H,11-12H2,1-2H3,(H,27,32,34)(H,29,30,31)/t19-,20-,22-,23-,38?/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 62n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240782
PNG
(US9422312, 19)
Show SMILES CS(=O)(=NCc1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl)N1CCCC1
Show InChI InChI=1S/C30H32ClN5O5S/c1-42(38,36-12-2-3-13-36)32-15-18-4-6-19(7-5-18)20-8-10-21(11-9-20)26-22(31)14-23-29(34-26)35-30(33-23)41-25-17-40-27-24(37)16-39-28(25)27/h4-11,14,24-25,27-28,37H,2-3,12-13,15-17H2,1H3,(H,33,34,35)/t24-,25-,27-,28-,42?/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 138n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240780
PNG
(US9422312, 16)
Show SMILES CS(=O)(=Nc1cnc(nc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl)N1CCCC1
Show InChI InChI=1S/C27H28ClN7O5S/c1-41(37,35-8-2-3-9-35)34-17-11-29-25(30-12-17)16-6-4-15(5-7-16)22-18(28)10-19-26(32-22)33-27(31-19)40-21-14-39-23-20(36)13-38-24(21)23/h4-7,10-12,20-21,23-24,36H,2-3,8-9,13-14H2,1H3,(H,31,32,33)/t20-,21-,23-,24-,41?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 48n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


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