Compile Data Set for Download or QSAR
Found 1291 Enz. Inhib. hit(s) with Target = '5'-AMP-activated protein kinase catalytic subunit alpha-2'
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50248946(CHEMBL1908392 | US10981896, Compound 16)
Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccccc23)c2ccccc2)cc1
Show InChI InChI=1S/C29H31N5O2/c1-32-16-18-34(19-17-32)20-26(35)33(2)23-14-12-22(13-15-23)30-28(21-8-4-3-5-9-21)27-24-10-6-7-11-25(24)31-29(27)36/h3-15,30H,16-20H2,1-2H3,(H,31,36)/b28-27-
Affinity DataKi:  4.20nMAssay Description:Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w...More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50248938(CHEMBL4089284 | US10981896, Compound 21)
Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccc(cc23)C(O)=O)c2ccccc2)cc1
Show InChI InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-18-21(30(38)39)8-13-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-
Affinity DataKi:  4.90nMAssay Description:Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w...More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50248937(CHEMBL4062168 | US10981896, Compound 15)
Show SMILES COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-19-22(31(39)40-3)9-14-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-
Affinity DataKi:  9.20nMAssay Description:Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w...More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564453(CHEMBL4794096)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C#N)c1C
Show InChI InChI=1S/C23H27N5O2/c1-5-28(6-2)10-9-25-23(30)21-14(3)20(26-15(21)4)12-18-17-11-16(13-24)7-8-19(17)27-22(18)29/h7-8,11-12,26H,5-6,9-10H2,1-4H3,(H,25,30)(H,27,29)/b18-12-
Affinity DataIC50: 16nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564457(CHEMBL4800500)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCO)cc23)c1C
Show InChI InChI=1S/C24H32N4O3/c1-5-28(6-2)11-10-25-24(31)22-15(3)21(26-16(22)4)14-19-18-13-17(9-12-29)7-8-20(18)27-23(19)30/h7-8,13-14,26,29H,5-6,9-12H2,1-4H3,(H,25,31)(H,27,30)/b19-14-
Affinity DataIC50: 21nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564458(CHEMBL4788376)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCC#N)cc23)c1C
Show InChI InChI=1S/C25H31N5O2/c1-5-30(6-2)13-12-27-25(32)23-16(3)22(28-17(23)4)15-20-19-14-18(8-7-11-26)9-10-21(19)29-24(20)31/h9-10,14-15,28H,5-8,12-13H2,1-4H3,(H,27,32)(H,29,31)/b20-15-
Affinity DataIC50: 32nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564448(CHEMBL4788980)
Show SMILES CCN(CC)CCCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C23H29FN4O2/c1-5-28(6-2)11-7-10-25-23(30)21-14(3)20(26-15(21)4)13-18-17-12-16(24)8-9-19(17)27-22(18)29/h8-9,12-13,26H,5-7,10-11H2,1-4H3,(H,25,30)(H,27,29)/b18-13-
Affinity DataIC50: 39nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564449(CHEMBL4779166)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(F)ccc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)18(25-14(20)4)12-17-16-8-7-15(23)11-19(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
Affinity DataIC50: 49nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM4817(N-[2-(dimethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo...)
Show SMILES CN(C)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C20H23FN4O2/c1-11-17(23-12(2)18(11)20(27)22-7-8-25(3)4)10-15-14-9-13(21)5-6-16(14)24-19(15)26/h5-6,9-10,23H,7-8H2,1-4H3,(H,22,27)(H,24,26)/b15-10-
Affinity DataIC50: 50nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564446(CHEMBL3542344)
Show SMILES CCNCCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C20H23FN4O2/c1-4-22-7-8-23-20(27)18-11(2)17(24-12(18)3)10-15-14-9-13(21)5-6-16(14)25-19(15)26/h5-6,9-10,22,24H,4,7-8H2,1-3H3,(H,23,27)(H,25,26)/b15-10-
Affinity DataIC50: 61nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564459(CHEMBL4781578)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCC(N)=O)cc23)c1C
Show InChI InChI=1S/C25H33N5O3/c1-5-30(6-2)12-11-27-25(33)23-15(3)21(28-16(23)4)14-19-18-13-17(8-10-22(26)31)7-9-20(18)29-24(19)32/h7,9,13-14,28H,5-6,8,10-12H2,1-4H3,(H2,26,31)(H,27,33)(H,29,32)/b19-14-
Affinity DataIC50: 61nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM4814(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
Affinity DataIC50: 62nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564450(CHEMBL4786972)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)18(25-14(20)4)12-17-16-8-7-15(23)11-19(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
Affinity DataIC50: 65nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564447(CHEMBL4799580)
Show SMILES CN(C)CCCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C21H25FN4O2/c1-12-18(11-16-15-10-14(22)6-7-17(15)25-20(16)27)24-13(2)19(12)21(28)23-8-5-9-26(3)4/h6-7,10-11,24H,5,8-9H2,1-4H3,(H,23,28)(H,25,27)/b16-11-
Affinity DataIC50: 75nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564451(CHEMBL4782796)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(Br)ccc23)c1C
Show InChI InChI=1S/C22H27BrN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)18(25-14(20)4)12-17-16-8-7-15(23)11-19(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
Affinity DataIC50: 83nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564454(CHEMBL4792246)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CNC(N)=O)cc23)c1C
Show InChI InChI=1S/C24H32N6O3/c1-5-30(6-2)10-9-26-23(32)21-14(3)20(28-15(21)4)12-18-17-11-16(13-27-24(25)33)7-8-19(17)29-22(18)31/h7-8,11-12,28H,5-6,9-10,13H2,1-4H3,(H,26,32)(H,29,31)(H3,25,27,33)/b18-12-
Affinity DataIC50: 84nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM4813(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-{[(3Z)-2-...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C22H28N4O2/c1-5-26(6-2)12-11-23-22(28)20-14(3)19(24-15(20)4)13-17-16-9-7-8-10-18(16)25-21(17)27/h7-10,13,24H,5-6,11-12H2,1-4H3,(H,23,28)(H,25,27)/b17-13-
Affinity DataIC50: 89nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564455(CHEMBL4781062)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCOC)cc23)c1C
Show InChI InChI=1S/C25H34N4O3/c1-6-29(7-2)12-11-26-25(31)23-16(3)22(27-17(23)4)15-20-19-14-18(10-13-32-5)8-9-21(19)28-24(20)30/h8-9,14-15,27H,6-7,10-13H2,1-5H3,(H,26,31)(H,28,30)/b20-15-
Affinity DataIC50: 97nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564462(CHEMBL4796639)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCN=[N+]=[N-])cc23)c1C
Show InChI InChI=1S/C24H31N7O2/c1-5-31(6-2)12-11-26-24(33)22-15(3)21(28-16(22)4)14-19-18-13-17(9-10-27-30-25)7-8-20(18)29-23(19)32/h7-8,13-14,28H,5-6,9-12H2,1-4H3,(H,26,33)(H,29,32)/b19-14-
Affinity DataIC50: 101nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564461(CHEMBL4795330)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCNC(C)=O)cc23)c1C
Show InChI InChI=1S/C26H35N5O3/c1-6-31(7-2)13-12-28-26(34)24-16(3)23(29-17(24)4)15-21-20-14-19(10-11-27-18(5)32)8-9-22(20)30-25(21)33/h8-9,14-15,29H,6-7,10-13H2,1-5H3,(H,27,32)(H,28,34)(H,30,33)/b21-15-
Affinity DataIC50: 108nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564456(CHEMBL4799631)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCOC(C)=O)cc23)c1C
Show InChI InChI=1S/C26H34N4O4/c1-6-30(7-2)12-11-27-26(33)24-16(3)23(28-17(24)4)15-21-20-14-19(10-13-34-18(5)31)8-9-22(20)29-25(21)32/h8-9,14-15,28H,6-7,10-13H2,1-5H3,(H,27,33)(H,29,32)/b21-15-
Affinity DataIC50: 111nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564445(CHEMBL3542333)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN
Show InChI InChI=1S/C18H19FN4O2/c1-9-15(22-10(2)16(9)18(25)21-6-5-20)8-13-12-7-11(19)3-4-14(12)23-17(13)24/h3-4,7-8,22H,5-6,20H2,1-2H3,(H,21,25)(H,23,24)/b13-8-
Affinity DataIC50: 141nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50564460(CHEMBL4779730)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCN(C)C)cc23)c1C
Show InChI InChI=1S/C26H37N5O2/c1-7-31(8-2)14-12-27-26(33)24-17(3)23(28-18(24)4)16-21-20-15-19(11-13-30(5)6)9-10-22(20)29-25(21)32/h9-10,15-16,28H,7-8,11-14H2,1-6H3,(H,27,33)(H,29,32)/b21-16-
Affinity DataIC50: 154nMAssay Description:Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50208911(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12
Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1
Affinity DataIC50: 206nMAssay Description:Inhibition of human recombinant full length N-terminal GST/N-terminal His-tagged AMPK alpha2/beta1/gamma1 expressed in baculovirus expression systemMore data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50519662(CHEMBL4438748)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human full length AMPKalpha2 recombinant using AMARAASAAALAR as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiome...More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50401152(CHEMBL2205766)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PRKAA2More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM50277910(4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyraz...)
Show SMILES O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C18H25N5O/c24-14-7-5-12(6-8-14)17-15(11-20-23-17)16-9-10-19-18(22-16)21-13-3-1-2-4-13/h9-14,24H,1-8H2,(H,20,23)(H,19,21,22)/t12-,14-
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of AMPKMore data for this Ligand-Target Pair
LigandPNGBDBM50537742(CHEMBL4634634 | US11179389, Compound 1-14)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1
Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of neuraminidase of influenza A/PR/8/34(H1N1)More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM25118((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
Affinity DataKd:  820nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM6866(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
Affinity DataKd:  1.80E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM31094(PKC-412 | cid_24202429)
Show SMILES CO[C@H]1[C@H](C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m0/s1
Affinity DataKd:  460nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM31095(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
Affinity DataKd:  290nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM31096(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1
Affinity DataKd:  12nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM4814(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
Affinity DataKd:  89nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
Target5'-AMP-activated protein kinase catalytic subunit alpha-2(Homo sapiens (Human))
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

US Patent
LigandPNGBDBM13534(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
Affinity DataKd:  350nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
LigandPNGBDBM213186(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
Affinity DataEC50:  29nMpH: 7.3Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM213187(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
Affinity DataEC50:  6nMpH: 7.3Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM213188(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
Affinity DataEC50:  10nMpH: 7.3Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM213189(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
Affinity DataEC50:  4nMpH: 7.3Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM213190(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
Affinity DataEC50:  2nMpH: 7.3Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM213191(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
Affinity DataEC50:  4nMpH: 7.3Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM213192(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
Affinity DataEC50:  3nMpH: 7.3Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM213193(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
Affinity DataEC50:  5nMpH: 7.3Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM213194(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
Affinity DataEC50:  5nMpH: 7.3Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM213195(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
Affinity DataEC50:  6nMpH: 7.3Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM213196(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
Affinity DataEC50:  3nMpH: 7.3Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM213197(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
Affinity DataEC50:  4nMpH: 7.3Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM213198(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
Affinity DataEC50:  2nMpH: 7.3Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM213199(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
Affinity DataEC50:  1nMpH: 7.3Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM213200(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
Affinity DataEC50:  2nMpH: 7.3Assay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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