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10 similar compounds to monomer 192508

Compile data set for download or QSAR
Wt: 542.0
BDBM192505
Wt: 543.9
BDBM192506
Wt: 583.0
BDBM192507
Wt: 599.0
BDBM192509
Wt: 557.0
BDBM192512
Wt: 569.0
BDBM192513
Wt: 557.0
BDBM192515
Wt: 569.0
BDBM192517
Wt: 558.0
BDBM192518
Wt: 586.0
BDBM192519

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 192505,192506,192507,192509,192512,192513,192515,192517,192518,192519   
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
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192505
PNG
(US9187477, 1)
Show SMILES CCCC(=O)NC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
Show InChI InChI=1S/C27H32ClN5O5/c1-2-3-22(35)29-16-8-10-33(11-9-16)17-6-4-15(5-7-17)23-18(28)12-19-26(31-23)32-27(30-19)38-21-14-37-24-20(34)13-36-25(21)24/h4-7,12,16,20-21,24-25,34H,2-3,8-11,13-14H2,1H3,(H,29,35)(H,30,31,32)/t20-,21-,24?,25?/m1/s1
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n/an/an/an/a 1.20n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192506
PNG
(US9187477, 2)
Show SMILES CN(C)C(=O)OC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
Show InChI InChI=1S/C26H30ClN5O6/c1-31(2)26(34)37-16-7-9-32(10-8-16)15-5-3-14(4-6-15)21-17(27)11-18-24(29-21)30-25(28-18)38-20-13-36-22-19(33)12-35-23(20)22/h3-6,11,16,19-20,22-23,33H,7-10,12-13H2,1-2H3,(H,28,29,30)/t19-,20-,22?,23?/m1/s1
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n/an/an/an/a 32n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192507
PNG
(US9187477, 3)
Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC1)NC(=O)OC1CCCC1
Show InChI InChI=1S/C30H35ClN4O6/c31-21-13-22-28(35-29(33-22)41-24-15-39-26-23(36)14-38-27(24)26)34-25(21)18-7-5-16(6-8-18)17-9-11-19(12-10-17)32-30(37)40-20-3-1-2-4-20/h5-8,13,17,19-20,23-24,26-27,36H,1-4,9-12,14-15H2,(H,32,37)(H,33,34,35)/t17-,19+,23-,24-,26?,27?/m1/s1
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n/an/an/an/a 108n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192509
PNG
(US9187477, 5)
Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC1)NC(=O)OC1CCOCC1
Show InChI InChI=1S/C30H35ClN4O7/c31-21-13-22-28(35-29(33-22)42-24-15-40-26-23(36)14-39-27(24)26)34-25(21)18-3-1-16(2-4-18)17-5-7-19(8-6-17)32-30(37)41-20-9-11-38-12-10-20/h1-4,13,17,19-20,23-24,26-27,36H,5-12,14-15H2,(H,32,37)(H,33,34,35)/t17-,19+,23-,24-,26?,27?/m1/s1
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n/an/an/an/a 119n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192519
PNG
(US9187477, 15)
Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)N1CCC(CC1)OC(=O)N1CCOCC1
Show InChI InChI=1S/C28H32ClN5O7/c29-19-13-20-26(32-27(30-20)41-22-15-39-24-21(35)14-38-25(22)24)31-23(19)16-1-3-17(4-2-16)33-7-5-18(6-8-33)40-28(36)34-9-11-37-12-10-34/h1-4,13,18,21-22,24-25,35H,5-12,14-15H2,(H,30,31,32)/t21-,22-,24?,25?/m1/s1
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n/an/an/an/a 133n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192513
PNG
(US9187477, 9)
Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@H]1CC[C@@H](CC1)OC(=O)N1CCCC1
Show InChI InChI=1S/C29H33ClN4O6/c30-20-13-21-27(33-28(31-21)40-23-15-38-25-22(35)14-37-26(23)25)32-24(20)18-5-3-16(4-6-18)17-7-9-19(10-8-17)39-29(36)34-11-1-2-12-34/h3-6,13,17,19,22-23,25-26,35H,1-2,7-12,14-15H2,(H,31,32,33)/t17-,19-,22-,23-,25?,26?/m1/s1
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n/an/an/an/a 17n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192515
PNG
(US9187477, 11)
Show SMILES CC(C)NC(=O)O[C@H]1CC[C@H](CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
Show InChI InChI=1S/C28H33ClN4O6/c1-14(2)30-28(35)38-18-9-7-16(8-10-18)15-3-5-17(6-4-15)23-19(29)11-20-26(32-23)33-27(31-20)39-22-13-37-24-21(34)12-36-25(22)24/h3-6,11,14,16,18,21-22,24-25,34H,7-10,12-13H2,1-2H3,(H,30,35)(H,31,32,33)/t16-,18+,21-,22-,24?,25?/m1/s1
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n/an/an/an/a 35n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192517
PNG
(US9187477, 13)
Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC1)OC(=O)N1CCCC1
Show InChI InChI=1S/C29H33ClN4O6/c30-20-13-21-27(33-28(31-21)40-23-15-38-25-22(35)14-37-26(23)25)32-24(20)18-5-3-16(4-6-18)17-7-9-19(10-8-17)39-29(36)34-11-1-2-12-34/h3-6,13,17,19,22-23,25-26,35H,1-2,7-12,14-15H2,(H,31,32,33)/t17-,19+,22-,23-,25?,26?/m1/s1
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n/an/an/an/a 2.04E+3n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192518
PNG
(US9187477, 14)
Show SMILES CC(C)NC(=O)OC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
Show InChI InChI=1S/C27H32ClN5O6/c1-14(2)29-27(35)38-17-7-9-33(10-8-17)16-5-3-15(4-6-16)22-18(28)11-19-25(31-22)32-26(30-19)39-21-13-37-23-20(34)12-36-24(21)23/h3-6,11,14,17,20-21,23-24,34H,7-10,12-13H2,1-2H3,(H,29,35)(H,30,31,32)/t20-,21-,23?,24?/m1/s1
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n/an/an/an/a 578n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM192512
PNG
(US9187477, 8)
Show SMILES CC(C)NC(=O)O[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
Show InChI InChI=1S/C28H33ClN4O6/c1-14(2)30-28(35)38-18-9-7-16(8-10-18)15-3-5-17(6-4-15)23-19(29)11-20-26(32-23)33-27(31-20)39-22-13-37-24-21(34)12-36-25(22)24/h3-6,11,14,16,18,21-22,24-25,34H,7-10,12-13H2,1-2H3,(H,30,35)(H,31,32,33)/t16-,18-,21-,22-,24?,25?/m1/s1
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n/an/an/an/a 339n/an/a7.0n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...


US Patent US9187477 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S58
More data for this
Ligand-Target Pair