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Compile Data Set for Download or QSAR

Found 227 hits of ph data with Target = '5'-AMP-activated protein kinase Complex 1'   
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))
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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US Patent
n/an/an/an/a 26n/an/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM247006
PNG
(({4-[4-(2-{[(3R,3aR,6R,6aR)-6-Hydroxy-hexahydrofur...)
Show SMILES CS(C)(=O)=Nc1ccc(cc1)-c1cc(F)c(c(F)c1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1Cl
Show InChI InChI=1S/C26H23ClF2N4O5S/c1-39(2,35)33-14-5-3-12(4-6-14)13-7-16(28)21(17(29)8-13)22-15(27)9-18-25(31-22)32-26(30-18)38-20-11-37-23-19(34)10-36-24(20)23/h3-9,19-20,23-24,34H,10-11H2,1-2H3,(H,30,31,32)/t19-,20-,23-,24-/m1/s1
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n/an/an/an/a 84n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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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n/an/an/an/a 94n/an/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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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n/an/an/an/a 52n/an/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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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n/an/an/an/a 15n/an/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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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n/an/an/an/a 17n/an/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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
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n/an/an/an/a 62n/an/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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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n/an/an/an/a 2n/an/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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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n/an/an/an/a 30n/an/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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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n/an/an/an/a 52n/an/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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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n/an/an/an/a 90n/an/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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
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n/an/an/an/a 48n/an/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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
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n/an/an/an/a 138n/an/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
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/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
More data for this
Ligand-Target Pair
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/a7.025



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...


US Patent US9422312 (2016)


BindingDB Entry DOI: 10.7270/Q25H7F62
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM247005
PNG
(({4-[4-(2-{[(3R,3aR,6R,6aR)-6-Hydroxy-hexahydrofur...)
Show SMILES CS(C)(=O)=Nc1ccc(cc1)-c1cc(F)c(c(F)c1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1F
Show InChI InChI=1S/C26H23F3N4O5S/c1-39(2,35)33-14-5-3-12(4-6-14)13-7-15(27)21(16(28)8-13)22-17(29)9-18-25(31-22)32-26(30-18)38-20-11-37-23-19(34)10-36-24(20)23/h3-9,19-20,23-24,34H,10-11H2,1-2H3,(H,30,31,32)/t19-,20-,23-,24-/m1/s1
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n/an/an/an/a 74n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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


(Homo sapiens-Homo sapiens (Human))
BDBM247004
PNG
(({4-[5-(2-{[(3R,3aR,6R,6aR)-6-Hydroxy-hexahydrofur...)
Show SMILES COc1nc(ccc1-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl)-c1ccc(cc1F)N=S(C)(C)=O
Show InChI InChI=1S/C26H25ClFN5O6S/c1-36-25-14(6-7-17(29-25)13-5-4-12(8-16(13)28)33-40(2,3)35)21-15(27)9-18-24(31-21)32-26(30-18)39-20-11-38-22-19(34)10-37-23(20)22/h4-9,19-20,22-23,34H,10-11H2,1-3H3,(H,30,31,32)/t19-,20-,22-,23-/m1/s1
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n/an/an/an/a 344n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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


(Homo sapiens-Homo sapiens (Human))
BDBM246890
PNG
((3R,3aR,6R,6aR)-6-(6-Chloro-5-iodo-3-(2-trimethyls...)
Show SMILES CS(C)(=O)=Nc1ccc(cc1F)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C26H24ClFN4O5S/c1-38(2,34)32-18-8-7-15(9-17(18)28)13-3-5-14(6-4-13)22-16(27)10-19-25(30-22)31-26(29-19)37-21-12-36-23-20(33)11-35-24(21)23/h3-10,20-21,23-24,33H,11-12H2,1-2H3,(H,29,30,31)/t20-,21-,23-,24-/m1/s1
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n/an/an/an/a 284n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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


(Homo sapiens-Homo sapiens (Human))
BDBM246895
PNG
(({4-[4-(2-{[(3R,3aR,6R,6aR)-6-Hydroxy-hexahydrofur...)
Show SMILES CS(C)(=O)=Nc1cc(F)c(c(F)c1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C26H23ClF2N4O5S/c1-39(2,35)33-14-7-16(28)21(17(29)8-14)12-3-5-13(6-4-12)22-15(27)9-18-25(31-22)32-26(30-18)38-20-11-37-23-19(34)10-36-24(20)23/h3-9,19-20,23-24,34H,10-11H2,1-2H3,(H,30,31,32)/t19-,20-,23-,24-/m1/s1
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n/an/an/an/a 115n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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


(Homo sapiens-Homo sapiens (Human))
BDBM246992
PNG
(({4-[4-(2-{[(3R,3aR,6R,6aR)-6-Hydroxy-hexahydrofur...)
Show SMILES CS(C)(=O)=Nc1cc(F)c(cc1F)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C26H23ClF2N4O5S/c1-39(2,35)33-18-9-16(28)14(7-17(18)29)12-3-5-13(6-4-12)22-15(27)8-19-25(31-22)32-26(30-19)38-21-11-37-23-20(34)10-36-24(21)23/h3-9,20-21,23-24,34H,10-11H2,1-2H3,(H,30,31,32)/t20-,21-,23-,24-/m1/s1
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n/an/an/an/a 302n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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


(Homo sapiens-Homo sapiens (Human))
BDBM246993
PNG
(({4-[4-(2-{[(3R,3aR,6R,6aR)-6-Hydroxy-hexahydrofur...)
Show SMILES CS(C)(=O)=Nc1c(F)cc(cc1F)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C26H23ClF2N4O5S/c1-39(2,35)33-22-16(28)7-14(8-17(22)29)12-3-5-13(6-4-12)21-15(27)9-18-25(31-21)32-26(30-18)38-20-11-37-23-19(34)10-36-24(20)23/h3-9,19-20,23-24,34H,10-11H2,1-2H3,(H,30,31,32)/t19-,20-,23-,24-/m1/s1
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n/an/an/an/a 3.56E+3n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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


(Homo sapiens-Homo sapiens (Human))
BDBM246994
PNG
(({4-[4-(2-{[(3R,3aR,6R,6aR)-6-Hydroxy-hexahydrofur...)
Show SMILES CS(C)(=O)=Nc1ccc(c(F)c1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C26H24ClFN4O5S/c1-38(2,34)32-15-7-8-16(18(28)9-15)13-3-5-14(6-4-13)22-17(27)10-19-25(30-22)31-26(29-19)37-21-12-36-23-20(33)11-35-24(21)23/h3-10,20-21,23-24,33H,11-12H2,1-2H3,(H,29,30,31)/t20-,21-,23-,24-/m1/s1
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n/an/an/an/a 60n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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


(Homo sapiens-Homo sapiens (Human))
BDBM246995
PNG
(({4-[4-(2-{[(3R,3aR,6R,6aR)-6-Hydroxy-hexahydrofur...)
Show SMILES CS(C)(=O)=Nc1ccc(c(F)c1F)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C26H23ClF2N4O5S/c1-39(2,35)33-16-8-7-14(20(28)21(16)29)12-3-5-13(6-4-12)22-15(27)9-17-25(31-22)32-26(30-17)38-19-11-37-23-18(34)10-36-24(19)23/h3-9,18-19,23-24,34H,10-11H2,1-2H3,(H,30,31,32)/t18-,19-,23-,24-/m1/s1
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n/an/an/an/a 450n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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


(Homo sapiens-Homo sapiens (Human))
BDBM246996
PNG
(({4-[4-(2-{[(3R,3aR,6R,6aR)-6-Hydroxy-hexahydrofur...)
Show SMILES CS(C)(=O)=Nc1ccc(cc1)-c1ccc(c(F)c1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C26H24ClFN4O5S/c1-38(2,34)32-15-6-3-13(4-7-15)14-5-8-16(18(28)9-14)22-17(27)10-19-25(30-22)31-26(29-19)37-21-12-36-23-20(33)11-35-24(21)23/h3-10,20-21,23-24,33H,11-12H2,1-2H3,(H,29,30,31)/t20-,21-,23-,24-/m1/s1
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n/an/an/an/a 125n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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


(Homo sapiens-Homo sapiens (Human))
BDBM246997
PNG
(({4-[4-(2-{[(3R,3aR,6R,6aR)-6-Hydroxy-hexahydrofur...)
Show SMILES CS(C)(=O)=Nc1ccc(cc1)-c1ccc(cc1F)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C26H24ClFN4O5S/c1-38(2,34)32-15-6-3-13(4-7-15)16-8-5-14(9-18(16)28)22-17(27)10-19-25(30-22)31-26(29-19)37-21-12-36-23-20(33)11-35-24(21)23/h3-10,20-21,23-24,33H,11-12H2,1-2H3,(H,29,30,31)/t20-,21-,23-,24-/m1/s1
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n/an/an/an/a 255n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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


(Homo sapiens-Homo sapiens (Human))
BDBM246998
PNG
(({4-[4-(2-{[(3R,3aR,6R,6aR)-6-Hydroxy-hexahydrofur...)
Show SMILES CS(C)(=O)=Nc1ccc(cc1)-c1ccc(c(F)c1F)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C26H23ClF2N4O5S/c1-39(2,35)33-13-5-3-12(4-6-13)14-7-8-15(21(29)20(14)28)22-16(27)9-17-25(31-22)32-26(30-17)38-19-11-37-23-18(34)10-36-24(19)23/h3-9,18-19,23-24,34H,10-11H2,1-2H3,(H,30,31,32)/t18-,19-,23-,24-/m1/s1
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n/an/an/an/a 282n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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


(Homo sapiens-Homo sapiens (Human))
BDBM246999
PNG
(({6-[4-(2-{[(3R,3aR,6R,6aR)-6-Hydroxy-hexahydrofur...)
Show SMILES CS(C)(=O)=Nc1cnc(c(F)c1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C25H23ClFN5O5S/c1-38(2,34)32-14-7-16(27)21(28-9-14)13-5-3-12(4-6-13)20-15(26)8-17-24(30-20)31-25(29-17)37-19-11-36-22-18(33)10-35-23(19)22/h3-9,18-19,22-23,33H,10-11H2,1-2H3,(H,29,30,31)/t18-,19-,22-,23-/m1/s1
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n/an/an/an/a 193n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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


(Homo sapiens-Homo sapiens (Human))
BDBM247000
PNG
(({4-[5-(2-{[(3R,3aR,6R,6aR)-6-Hydroxy-hexahydrofur...)
Show SMILES COc1nc(ccc1-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl)-c1ccc(cc1)N=S(C)(C)=O
Show InChI InChI=1S/C26H26ClN5O6S/c1-35-25-15(8-9-17(28-25)13-4-6-14(7-5-13)32-39(2,3)34)21-16(27)10-18-24(30-21)31-26(29-18)38-20-12-37-22-19(33)11-36-23(20)22/h4-10,19-20,22-23,33H,11-12H2,1-3H3,(H,29,30,31)/t19-,20-,22-,23-/m1/s1
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n/an/an/an/a 1.20E+3n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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


(Homo sapiens-Homo sapiens (Human))
BDBM247001
PNG
(({4-[5-(2-{[(3R,3aR,6R,6aR)-6-Hydroxy-hexahydrofur...)
Show SMILES CS(C)(=O)=Nc1ccc(cc1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1F
Show InChI InChI=1S/C26H25FN4O5S/c1-37(2,33)31-17-9-7-15(8-10-17)14-3-5-16(6-4-14)22-18(27)11-19-25(29-22)30-26(28-19)36-21-13-35-23-20(32)12-34-24(21)23/h3-11,20-21,23-24,32H,12-13H2,1-2H3,(H,28,29,30)/t20-,21-,23-,24-/m1/s1
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n/an/an/an/a 109n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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


(Homo sapiens-Homo sapiens (Human))
BDBM247002
PNG
(({4-[4-(2-{[(3R,3aR,6R,6aR)-6-Hydroxy-hexahydrofur...)
Show SMILES CS(=N)(=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1S/C25H22ClFN4O5S/c1-37(28,33)14-6-7-15(17(27)8-14)12-2-4-13(5-3-12)21-16(26)9-18-24(30-21)31-25(29-18)36-20-11-35-22-19(32)10-34-23(20)22/h2-9,19-20,22-23,28,32H,10-11H2,1H3,(H,29,30,31)/t19-,20-,22-,23-,37?/m1/s1
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n/an/an/an/a 71n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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


(Homo sapiens-Homo sapiens (Human))
BDBM247003
PNG
(US10053471, 14 | {4-[4-(2-{[(3R,3aR,6R,6aR)-6-Hydr...)
Show SMILES CS(C)(=O)=Nc1ccc(c(F)c1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1F
Show InChI InChI=1S/C26H24F2N4O5S/c1-38(2,34)32-15-7-8-16(17(27)9-15)13-3-5-14(6-4-13)22-18(28)10-19-25(30-22)31-26(29-19)37-21-12-36-23-20(33)11-35-24(21)23/h3-10,20-21,23-24,33H,11-12H2,1-2H3,(H,29,30,31)/t20-,21-,23-,24-/m1/s1
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n/an/an/an/a 68n/an/a7.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed b...


US Patent US10053471 (2018)

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


(Homo sapiens-Homo sapiens (Human))
BDBM260438
PNG
(US9527839, 29)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc(cc1)-c1c(F)cc2[nH]c(O[C@H]3CO[C@H](CO)[C@@H](O)C3)nc2c1F
Show InChI InChI=1S/C28H28F2N2O5/c1-28(2,35)18-9-7-16(8-10-18)15-3-5-17(6-4-15)24-20(29)12-21-26(25(24)30)32-27(31-21)37-19-11-22(34)23(13-33)36-14-19/h3-10,12,19,22-23,33-35H,11,13-14H2,1-2H3,(H,31,32)/t19-,22+,23-/m1/s1
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n/an/an/an/a 26n/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 ul in a 384-well plate. Enzyme reactions were assembled in the microtiter plate by ...


US Patent US9527839 (2016)


BindingDB Entry DOI: 10.7270/Q2N58K9B
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM260437
PNG
(US9527839, 26)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)-c1c(F)cc2[nH]c(O[C@H]3CO[C@H](CO)[C@@H](O)C3)nc2c1F
Show InChI InChI=1S/C26H24F2N2O6S/c1-37(33,34)18-8-6-15(7-9-18)14-2-4-16(5-3-14)23-19(27)11-20-25(24(23)28)30-26(29-20)36-17-10-21(32)22(12-31)35-13-17/h2-9,11,17,21-22,31-32H,10,12-13H2,1H3,(H,29,30)/t17-,21+,22-/m1/s1
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n/an/an/an/a 7n/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 ul in a 384-well plate. Enzyme reactions were assembled in the microtiter plate by ...


US Patent US9527839 (2016)


BindingDB Entry DOI: 10.7270/Q2N58K9B
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM260427
PNG
(US9527839, 2)
Show SMILES CS(=O)(=O)Cc1ccc(cc1)-c1ccc(cc1)-c1cc2nc(O[C@H]3CO[C@H](CO)[C@@H](O)C3)[nH]c2cc1Cl
Show InChI InChI=1S/C27H27ClN2O6S/c1-37(33,34)15-16-2-4-17(5-3-16)18-6-8-19(9-7-18)21-11-23-24(12-22(21)28)30-27(29-23)36-20-10-25(32)26(13-31)35-14-20/h2-9,11-12,20,25-26,31-32H,10,13-15H2,1H3,(H,29,30)/t20-,25+,26-/m1/s1
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n/an/an/an/a 36n/an/a7.325



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 ul in a 384-well plate. Enzyme reactions were assembled in the microtiter plate by ...


US Patent US9527839 (2016)


BindingDB Entry DOI: 10.7270/Q2N58K9B
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237920
PNG
(US9394285, 1)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)
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n/an/an/an/a 4.20n/an/a7.525



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237921
PNG
(US9394285, 2)
Show SMILES OCc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C16H12ClNO3/c17-14-6-15-12(13(7-18-15)16(20)21)5-11(14)10-3-1-9(8-19)2-4-10/h1-7,18-19H,8H2,(H,20,21)
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n/an/an/an/a 64.7n/an/a7.525



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237922
PNG
(US9394285, 3)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccccc1
Show InChI InChI=1S/C15H10ClNO2/c16-13-7-14-11(12(8-17-14)15(18)19)6-10(13)9-4-2-1-3-5-9/h1-8,17H,(H,18,19)
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n/an/an/an/a 459n/an/a7.525



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237923
PNG
(US9394285, 4)
Show SMILES OC(=O)c1c[nH]c2cc(F)c(cc12)-c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C19H16FNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)
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n/an/an/an/a 71n/an/a7.525



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237924
PNG
(US9394285, 5)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)COC1
Show InChI InChI=1S/C18H14ClNO4/c19-15-6-16-13(14(7-20-16)17(21)22)5-12(15)10-1-3-11(4-2-10)18(23)8-24-9-18/h1-7,20,23H,8-9H2,(H,21,22)
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n/an/an/an/a 35.7n/an/a7.525



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237925
PNG
(US9394285, 6)
Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)C3(O)CCC3)c(F)c12
Show InChI InChI=1S/C19H15F2NO3/c20-13-8-14-16(12(9-22-14)18(23)24)17(21)15(13)10-2-4-11(5-3-10)19(25)6-1-7-19/h2-5,8-9,22,25H,1,6-7H2,(H,23,24)
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n/an/an/an/a 17.3n/an/a7.525



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237926
PNG
(US9394285, 7)
Show SMILES OCc1ccc(cc1)-c1cc2c(c[nH]c2cc1F)C(O)=O
Show InChI InChI=1S/C16H12FNO3/c17-14-6-15-12(13(7-18-15)16(20)21)5-11(14)10-3-1-9(8-19)2-4-10/h1-7,18-19H,8H2,(H,20,21)
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n/an/an/an/a 671n/an/a7.525



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237927
PNG
(US9394285, 8)
Show SMILES CC(=O)N1CC(C1)Oc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C20H17ClN2O4/c1-11(24)23-9-14(10-23)27-13-4-2-12(3-5-13)15-6-16-17(20(25)26)8-22-19(16)7-18(15)21/h2-8,14,22H,9-10H2,1H3,(H,25,26)
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n/an/an/an/a 220n/an/a7.525



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237928
PNG
(US9394285, 9)
Show SMILES CC(=O)N1CC(COc2ccc(cc2)-c2cc3c(c[nH]c3cc2Cl)C(O)=O)C1
Show InChI InChI=1S/C21H19ClN2O4/c1-12(25)24-9-13(10-24)11-28-15-4-2-14(3-5-15)16-6-17-18(21(26)27)8-23-20(17)7-19(16)22/h2-8,13,23H,9-11H2,1H3,(H,26,27)
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n/an/an/an/a 71.2n/an/a7.525



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


US Patent US9394285 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80Q7
More data for this
Ligand-Target Pair
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