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4 similar compounds to monomer 192505

Compile data set for download or QSAR
Wt: 543.9
BDBM192506
Wt: 558.0
BDBM192518
Wt: 586.0
BDBM192519
Wt: 558.0
BDBM192508

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 192506,192518,192519,192508   
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))
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
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
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))
BDBM192508
PNG
(US9187477, 16 | US9187477, 4)
Show SMILES CC(C)OC(=O)NC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
Show InChI InChI=1S/C27H32ClN5O6/c1-14(2)38-27(35)29-16-7-9-33(10-8-16)17-5-3-15(4-6-17)22-18(28)11-19-25(31-22)32-26(30-19)39-21-13-37-23-20(34)12-36-24(21)23/h3-6,11,14,16,20-21,23-24,34H,7-10,12-13H2,1-2H3,(H,29,35)(H,30,31,32)/t20-,21-,23?,24?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 12n/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))
BDBM192508
PNG
(US9187477, 16 | US9187477, 4)
Show SMILES CC(C)OC(=O)NC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl
Show InChI InChI=1S/C27H32ClN5O6/c1-14(2)38-27(35)29-16-7-9-33(10-8-16)17-5-3-15(4-6-17)22-18(28)11-19-25(31-22)32-26(30-19)39-21-13-37-23-20(34)12-36-24(21)23/h3-6,11,14,16,20-21,23-24,34H,7-10,12-13H2,1-2H3,(H,29,35)(H,30,31,32)/t20-,21-,23?,24?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/an/a 290n/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
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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