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Compile Data Set for Download or QSAR

Found 25 hits of Enz. Inhib. data with enzyme = 'AMPK alpha2/beta1/gamma1' and Substrate = 'BDBM213211'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213186
PNG
(US9290517, 14)
Show SMILES CC(C)(O)C[NH+]1Cc2cn(nc2C1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1Cl
Show InChI InChI=1S/C27H29ClN6O5/c1-27(2,36)13-33-8-15-9-34(32-19(15)10-33)16-5-3-14(4-6-16)22-17(28)7-18-25(30-22)31-26(29-18)39-21-12-38-23-20(35)11-37-24(21)23/h3-7,9,20-21,23-24,35-36H,8,10-13H2,1-2H3,(H,29,30,31)/p+1/t20-,21-,23-,24-/m1/s1
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n/an/an/an/a 29n/an/a7.3n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213210
PNG
(US9290517, 151)
Show SMILES CN(C)CCOc1ccc(cc1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1Cl
Show InChI InChI=1S/C28H29ClN4O5/c1-33(2)11-12-35-19-9-7-17(8-10-19)16-3-5-18(6-4-16)24-20(29)13-21-27(31-24)32-28(30-21)38-23-15-37-25-22(34)14-36-26(23)25/h3-10,13,22-23,25-26,34H,11-12,14-15H2,1-2H3,(H,30,31,32)/t22-,23-,25-,26-/m1/s1
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n/an/an/an/a 2n/an/a7.3n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213188
PNG
(US9290517, 71)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)C#CC1CCNCC1
Show InChI InChI=1S/C25H25ClN4O4/c26-17-11-18-24(30-25(28-18)34-20-13-33-22-19(31)12-32-23(20)22)29-21(17)16-5-3-14(4-6-16)1-2-15-7-9-27-10-8-15/h3-6,11,15,19-20,22-23,27,31H,7-10,12-13H2,(H,28,29,30)/t19-,20-,22-,23-/m1/s1
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n/an/an/an/a 10n/an/a7.3n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213189
PNG
(US9290517, 73)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)-n1cc[nH]c1=O
Show InChI InChI=1S/C27H22ClN5O5/c28-18-11-19-25(32-26(30-19)38-21-13-37-23-20(34)12-36-24(21)23)31-22(18)16-3-1-14(2-4-16)15-5-7-17(8-6-15)33-10-9-29-27(33)35/h1-11,20-21,23-24,34H,12-13H2,(H,29,35)(H,30,31,32)/t20-,21-,23-,24-/m1/s1
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n/an/an/an/a 4n/an/a7.3n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213190
PNG
(US9290517, 79)
Show SMILES CC(CO)(CO)c1ccc(cc1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1Cl
Show InChI InChI=1S/C28H28ClN3O6/c1-28(13-33,14-34)18-8-6-16(7-9-18)15-2-4-17(5-3-15)23-19(29)10-20-26(31-23)32-27(30-20)38-22-12-37-24-21(35)11-36-25(22)24/h2-10,21-22,24-25,33-35H,11-14H2,1H3,(H,30,31,32)/t21-,22-,24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213191
PNG
(US9290517, 86)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(CCCC(O)=O)cc1
Show InChI InChI=1S/C28H26ClN3O6/c29-19-12-20-27(32-28(30-20)38-22-14-37-25-21(33)13-36-26(22)25)31-24(19)18-10-8-17(9-11-18)16-6-4-15(5-7-16)2-1-3-23(34)35/h4-12,21-22,25-26,33H,1-3,13-14H2,(H,34,35)(H,30,31,32)/t21-,22-,25-,26-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213192
PNG
(US9290517, 87)
Show SMILES Cc1nnc(o1)-c1ccc(cc1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1Cl
Show InChI InChI=1S/C27H22ClN5O5/c1-13-32-33-26(37-13)17-8-4-15(5-9-17)14-2-6-16(7-3-14)22-18(28)10-19-25(30-22)31-27(29-19)38-21-12-36-23-20(34)11-35-24(21)23/h2-10,20-21,23-24,34H,11-12H2,1H3,(H,29,30,31)/t20-,21-,23-,24-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213193
PNG
(US9290517, 102)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1F)C#N
Show InChI InChI=1S/C25H18ClFN4O4/c26-16-8-18-24(31-25(29-18)35-20-11-34-22-19(32)10-33-23(20)22)30-21(16)14-4-2-13(3-5-14)15-6-1-12(9-28)7-17(15)27/h1-8,19-20,22-23,32H,10-11H2,(H,29,30,31)/t19-,20-,22-,23-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213194
PNG
(US9290517, 105)
Show SMILES CCN(CC)c1ccc(cc1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1Cl
Show InChI InChI=1S/C28H29ClN4O4/c1-3-33(4-2)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)37-23-15-36-25-22(34)14-35-26(23)25/h5-13,22-23,25-26,34H,3-4,14-15H2,1-2H3,(H,30,31,32)/t22-,23-,25-,26-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213195
PNG
(US9290517, 125)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)C1=NC(CC1)C(O)=O
Show InChI InChI=1S/C29H25ClN4O6/c30-18-11-21-27(34-29(32-21)40-23-13-39-25-22(35)12-38-26(23)25)33-24(18)17-7-3-15(4-8-17)14-1-5-16(6-2-14)19-9-10-20(31-19)28(36)37/h1-8,11,20,22-23,25-26,35H,9-10,12-13H2,(H,36,37)(H,32,33,34)/t20?,22-,23-,25-,26-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213196
PNG
(US9290517, 126)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)C1Cc2nccn2C1
Show InChI InChI=1S/C30H26ClN5O4/c31-21-12-22-29(35-30(33-22)40-24-15-39-27-23(37)14-38-28(24)27)34-26(21)19-7-5-17(6-8-19)16-1-3-18(4-2-16)20-11-25-32-9-10-36(25)13-20/h1-10,12,20,23-24,27-28,37H,11,13-15H2,(H,33,34,35)/t20?,23-,24-,27-,28-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213197
PNG
(US9290517, 127)
Show SMILES Cn1c(N)ncc1-c1ccc(cc1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1Cl
Show InChI InChI=1S/C28H25ClN6O4/c1-35-20(11-31-27(35)30)16-6-2-14(3-7-16)15-4-8-17(9-5-15)23-18(29)10-19-26(33-23)34-28(32-19)39-22-13-38-24-21(36)12-37-25(22)24/h2-11,21-22,24-25,36H,12-13H2,1H3,(H2,30,31)(H,32,33,34)/t21-,22-,24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213198
PNG
(US9290517, 128)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)-n1cc(nn1)C(O)(O)C(F)(F)F
Show InChI InChI=1S/C28H22ClF3N6O6/c29-17-9-18-25(35-26(33-18)44-20-12-43-23-19(39)11-42-24(20)23)34-22(17)15-3-1-13(2-4-15)14-5-7-16(8-6-14)38-10-21(36-37-38)27(40,41)28(30,31)32/h1-10,19-20,23-24,39-41H,11-12H2,(H,33,34,35)/t19-,20-,23-,24-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213199
PNG
(US9290517, 129)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)-n1cnc(=O)[nH]1
Show InChI InChI=1S/C26H21ClN6O5/c27-17-9-18-24(31-26(29-18)38-20-11-37-22-19(34)10-36-23(20)22)30-21(17)15-3-1-13(2-4-15)14-5-7-16(8-6-14)33-12-28-25(35)32-33/h1-9,12,19-20,22-23,34H,10-11H2,(H,32,35)(H,29,30,31)/t19-,20-,22-,23-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213200
PNG
(US9290517, 130)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1nccc(O)n1
Show InChI InChI=1S/C28H22ClN5O5/c29-18-11-19-27(34-28(31-19)39-21-13-38-24-20(35)12-37-25(21)24)33-23(18)16-5-1-14(2-6-16)15-3-7-17(8-4-15)26-30-10-9-22(36)32-26/h1-11,20-21,24-25,35H,12-13H2,(H,30,32,36)(H,31,33,34)/t20-,21-,24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213201
PNG
(US9290517, 131)
Show SMILES Cc1cc(-c2ccc(cc2)-c2ccc(cc2)-c2nc3nc(O[C@@H]4CO[C@@H]5[C@H](O)CO[C@H]45)[nH]c3cc2Cl)c(=O)[nH]n1
Show InChI InChI=1S/C29H22ClN5O5/c1-14-10-19(28(37)35-34-14)17-6-2-15(3-7-17)16-4-8-18(9-5-16)24-20(30)11-21-27(32-24)33-29(31-21)40-23-13-39-25-22(36)12-38-26(23)25/h2-11,22-23,25-26,36H,12-13H2,1H3/b16-15-,19-17-,24-18+/t22-,23-,25-,26-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213202
PNG
(US9290517, 133)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)C1CNCCO1
Show InChI InChI=1S/C28H27ClN4O5/c29-19-11-20-27(33-28(31-20)38-23-14-37-25-21(34)13-36-26(23)25)32-24(19)18-7-3-16(4-8-18)15-1-5-17(6-2-15)22-12-30-9-10-35-22/h1-8,11,21-23,25-26,30,34H,9-10,12-14H2,(H,31,32,33)/t21-,22?,23-,25-,26-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213203
PNG
(US9290517, 138)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1noc(=O)[nH]1
Show InChI InChI=1S/C26H20ClN5O6/c27-16-9-17-24(30-25(28-17)37-19-11-36-21-18(33)10-35-22(19)21)29-20(16)14-5-1-12(2-6-14)13-3-7-15(8-4-13)23-31-26(34)38-32-23/h1-9,18-19,21-22,33H,10-11H2,(H,28,29,30)(H,31,32,34)/t18-,19-,21-,22-/m1/s1
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n/an/an/an/a 4n/an/a7.3n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213204
PNG
(US9290517, 142)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(Cn2ncnn2)cc1
Show InChI InChI=1S/C26H22ClN7O4/c27-18-9-19-25(32-26(30-19)38-21-12-37-23-20(35)11-36-24(21)23)31-22(18)17-7-5-16(6-8-17)15-3-1-14(2-4-15)10-34-29-13-28-33-34/h1-9,13,20-21,23-24,35H,10-12H2,(H,30,31,32)/t20-,21-,23-,24-/m1/s1
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n/an/an/an/a 2n/an/a7.3n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213205
PNG
(US9290517, 145)
Show SMILES CC1(COC1)c1ccc(cc1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1Cl
Show InChI InChI=1S/C28H26ClN3O5/c1-28(13-34-14-28)18-8-6-16(7-9-18)15-2-4-17(5-3-15)23-19(29)10-20-26(31-23)32-27(30-20)37-22-12-36-24-21(33)11-35-25(22)24/h2-10,21-22,24-25,33H,11-14H2,1H3,(H,30,31,32)/t21-,22-,24-,25-/m1/s1
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n/an/an/an/a 8n/an/a7.3n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213206
PNG
(US9290517, 146)
Show SMILES OCc1ccc(cc1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1Cl
Show InChI InChI=1S/C25H22ClN3O5/c26-17-9-18-24(29-25(27-18)34-20-12-33-22-19(31)11-32-23(20)22)28-21(17)16-7-5-15(6-8-16)14-3-1-13(10-30)2-4-14/h1-9,19-20,22-23,30-31H,10-12H2,(H,27,28,29)/t19-,20-,22-,23-/m1/s1
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n/an/an/an/a 4n/an/a7.3n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213207
PNG
(US9290517, 147)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C28H24ClN5O4/c29-20-11-21-27(33-28(31-21)38-23-14-37-25-22(35)13-36-26(23)25)32-24(20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)12-34-10-9-30-15-34/h1-11,15,22-23,25-26,35H,12-14H2,(H,31,32,33)/t22-,23-,25-,26-/m1/s1
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n/an/an/an/a 4n/an/a7.3n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213208
PNG
(US9290517, 149)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)C1CNC(=O)C1
Show InChI InChI=1S/C28H25ClN4O5/c29-19-10-20-27(33-28(31-20)38-22-13-37-25-21(34)12-36-26(22)25)32-24(19)17-7-5-15(6-8-17)14-1-3-16(4-2-14)18-9-23(35)30-11-18/h1-8,10,18,21-22,25-26,34H,9,11-13H2,(H,30,35)(H,31,32,33)/t18?,21-,22-,25-,26-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213209
PNG
(US9290517, 150)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)-n1ccc(=O)[nH]1
Show InChI InChI=1S/C27H22ClN5O5/c28-18-11-19-26(31-27(29-19)38-21-13-37-24-20(34)12-36-25(21)24)30-23(18)16-3-1-14(2-4-16)15-5-7-17(8-6-15)33-10-9-22(35)32-33/h1-11,20-21,24-25,34H,12-13H2,(H,32,35)(H,29,30,31)/t20-,21-,24-,25-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM213187
PNG
(US9290517, 18)
Show SMILES Clc1cc2[nH]c(O[C@@H]3CO[C@@H]4[C@@H](CO[C@H]34)OCC=C)nc2nc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H24ClN3O4/c1-2-12-32-21-14-33-25-22(15-34-24(21)25)35-27-29-20-13-19(28)23(30-26(20)31-27)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h2-11,13,21-22,24-25H,1,12,14-15H2,(H,29,30,31)/t21-,22-,24-,25-/m1/s1
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n/an/an/an/a 6n/an/a7.3n/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9290517 (2016)


BindingDB Entry DOI: 10.7270/Q2C24V7Q
More data for this
Ligand-Target Pair