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11 molecules are shown

Wt: 551.6
BDBM15168
Wt: 551.6
BDBM15169
Purchase
Wt: 510.6
BDBM15170
Wt: 555.6
BDBM15162
Wt: 555.6
BDBM15163
Purchase
Wt: 511.6
BDBM15149
Wt: 579.6
BDBM15164
Wt: 579.6
BDBM15165
Wt: 593.6
BDBM15166
Wt: 593.6
BDBM15167
Wt: 593.6
BDBM50298449

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 73 hits for monomerid = 15168,15169,15170,15162,15163,15149,15164,15165,15166,15167,50298449   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15149
PNG
(1-(1-{[4-(3-phenylquinoxalin-2-yl)phenyl]methyl}pi...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccccc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C33H29N5O/c39-33-36-29-12-6-7-13-30(29)38(33)26-18-20-37(21-19-26)22-23-14-16-25(17-15-23)32-31(24-8-2-1-3-9-24)34-27-10-4-5-11-28(27)35-32/h1-17,26H,18-22H2,(H,36,39)
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n/an/a 290n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15162
PNG
(2-(4-{[4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-y...)
Show SMILES OC(=O)c1ccc2nc(-c3ccc(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)cc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C34H29N5O3/c40-33(41)25-14-15-27-29(20-25)36-31(23-6-2-1-3-7-23)32(35-27)24-12-10-22(11-13-24)21-38-18-16-26(17-19-38)39-30-9-5-4-8-28(30)37-34(39)42/h1-15,20,26H,16-19,21H2,(H,37,42)(H,40,41)
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n/an/a 240n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15163
PNG
(3-(4-{[4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-y...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C34H29N5O3/c40-33(41)25-14-15-27-29(20-25)36-32(31(35-27)23-6-2-1-3-7-23)24-12-10-22(11-13-24)21-38-18-16-26(17-19-38)39-30-9-5-4-8-28(30)37-34(39)42/h1-15,20,26H,16-19,21H2,(H,37,42)(H,40,41)
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n/an/a 166n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15164
PNG
(1-[1-({4-[3-phenyl-6-(2H-1,2,3,4-tetrazol-5-yl)qui...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccc(cc3nc2-c2ccccc2)-c2nnn[nH]2)CC1
Show InChI InChI=1S/C34H29N9O/c44-34-37-28-8-4-5-9-30(28)43(34)26-16-18-42(19-17-26)21-22-10-12-24(13-11-22)32-31(23-6-2-1-3-7-23)36-29-20-25(14-15-27(29)35-32)33-38-40-41-39-33/h1-15,20,26H,16-19,21H2,(H,37,44)(H,38,39,40,41)
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n/an/a 63n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15165
PNG
(1-[1-({4-[3-phenyl-7-(2H-1,2,3,4-tetrazol-5-yl)qui...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc(ccc3nc2-c2ccccc2)-c2nnn[nH]2)CC1
Show InChI InChI=1S/C34H29N9O/c44-34-37-28-8-4-5-9-30(28)43(34)26-16-18-42(19-17-26)21-22-10-12-24(13-11-22)32-31(23-6-2-1-3-7-23)35-27-15-14-25(20-29(27)36-32)33-38-40-41-39-33/h1-15,20,26H,16-19,21H2,(H,37,44)(H,38,39,40,41)
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n/an/a 20n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15166
PNG
(1-[1-({4-[6-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-3-...)
Show SMILES Cn1nnc(n1)-c1ccc2nc(-c3ccc(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)cc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C35H31N9O/c1-42-40-34(39-41-42)26-15-16-28-30(21-26)37-32(24-7-3-2-4-8-24)33(36-28)25-13-11-23(12-14-25)22-43-19-17-27(18-20-43)44-31-10-6-5-9-29(31)38-35(44)45/h2-16,21,27H,17-20,22H2,1H3,(H,38,45)
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n/an/a 1.09E+3n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15167
PNG
(1-[1-({4-[7-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-3-...)
Show SMILES Cn1nnc(n1)-c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C35H31N9O/c1-42-40-34(39-41-42)26-15-16-28-30(21-26)37-33(32(36-28)24-7-3-2-4-8-24)25-13-11-23(12-14-25)22-43-19-17-27(18-20-43)44-31-10-6-5-9-29(31)38-35(44)45/h2-16,21,27H,17-20,22H2,1H3,(H,38,45)
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n/an/a 55n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15168
PNG
(1-{1-[(4-{7-phenyl-1H-pyrazolo[3,4-g]quinoxalin-6-...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4cn[nH]c4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-38-27-8-4-5-9-31(27)41(34)26-14-16-40(17-15-26)21-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-30-19-28-25(20-35-39-28)18-29(30)36-33/h1-13,18-20,26H,14-17,21H2,(H,35,39)(H,38,42)
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n/an/a 85n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a 58n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15149
PNG
(1-(1-{[4-(3-phenylquinoxalin-2-yl)phenyl]methyl}pi...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccccc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C33H29N5O/c39-33-36-29-12-6-7-13-30(29)38(33)26-18-20-37(21-19-26)22-23-14-16-25(17-15-23)32-31(24-8-2-1-3-9-24)34-27-10-4-5-11-28(27)35-32/h1-17,26H,18-22H2,(H,36,39)
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n/an/a 2.09E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15162
PNG
(2-(4-{[4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-y...)
Show SMILES OC(=O)c1ccc2nc(-c3ccc(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)cc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C34H29N5O3/c40-33(41)25-14-15-27-29(20-25)36-31(23-6-2-1-3-7-23)32(35-27)24-12-10-22(11-13-24)21-38-18-16-26(17-19-38)39-30-9-5-4-8-28(30)37-34(39)42/h1-15,20,26H,16-19,21H2,(H,37,42)(H,40,41)
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n/an/a 281n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15163
PNG
(3-(4-{[4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-y...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C34H29N5O3/c40-33(41)25-14-15-27-29(20-25)36-32(31(35-27)23-6-2-1-3-7-23)24-12-10-22(11-13-24)21-38-18-16-26(17-19-38)39-30-9-5-4-8-28(30)37-34(39)42/h1-15,20,26H,16-19,21H2,(H,37,42)(H,40,41)
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n/an/a 388n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15164
PNG
(1-[1-({4-[3-phenyl-6-(2H-1,2,3,4-tetrazol-5-yl)qui...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccc(cc3nc2-c2ccccc2)-c2nnn[nH]2)CC1
Show InChI InChI=1S/C34H29N9O/c44-34-37-28-8-4-5-9-30(28)43(34)26-16-18-42(19-17-26)21-22-10-12-24(13-11-22)32-31(23-6-2-1-3-7-23)36-29-20-25(14-15-27(29)35-32)33-38-40-41-39-33/h1-15,20,26H,16-19,21H2,(H,37,44)(H,38,39,40,41)
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15165
PNG
(1-[1-({4-[3-phenyl-7-(2H-1,2,3,4-tetrazol-5-yl)qui...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc(ccc3nc2-c2ccccc2)-c2nnn[nH]2)CC1
Show InChI InChI=1S/C34H29N9O/c44-34-37-28-8-4-5-9-30(28)43(34)26-16-18-42(19-17-26)21-22-10-12-24(13-11-22)32-31(23-6-2-1-3-7-23)35-27-15-14-25(20-29(27)36-32)33-38-40-41-39-33/h1-15,20,26H,16-19,21H2,(H,37,44)(H,38,39,40,41)
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n/an/a 144n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15166
PNG
(1-[1-({4-[6-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-3-...)
Show SMILES Cn1nnc(n1)-c1ccc2nc(-c3ccc(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)cc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C35H31N9O/c1-42-40-34(39-41-42)26-15-16-28-30(21-26)37-32(24-7-3-2-4-8-24)33(36-28)25-13-11-23(12-14-25)22-43-19-17-27(18-20-43)44-31-10-6-5-9-29(31)38-35(44)45/h2-16,21,27H,17-20,22H2,1H3,(H,38,45)
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n/an/a 1.88E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15167
PNG
(1-[1-({4-[7-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-3-...)
Show SMILES Cn1nnc(n1)-c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C35H31N9O/c1-42-40-34(39-41-42)26-15-16-28-30(21-26)37-33(32(36-28)24-7-3-2-4-8-24)25-13-11-23(12-14-25)22-43-19-17-27(18-20-43)44-31-10-6-5-9-29(31)38-35(44)45/h2-16,21,27H,17-20,22H2,1H3,(H,38,45)
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n/an/a 332n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15168
PNG
(1-{1-[(4-{7-phenyl-1H-pyrazolo[3,4-g]quinoxalin-6-...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4cn[nH]c4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-38-27-8-4-5-9-31(27)41(34)26-14-16-40(17-15-26)21-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-30-19-28-25(20-35-39-28)18-29(30)36-33/h1-13,18-20,26H,14-17,21H2,(H,35,39)(H,38,42)
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n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a 210n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15149
PNG
(1-(1-{[4-(3-phenylquinoxalin-2-yl)phenyl]methyl}pi...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccccc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C33H29N5O/c39-33-36-29-12-6-7-13-30(29)38(33)26-18-20-37(21-19-26)22-23-14-16-25(17-15-23)32-31(24-8-2-1-3-9-24)34-27-10-4-5-11-28(27)35-32/h1-17,26H,18-22H2,(H,36,39)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15162
PNG
(2-(4-{[4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-y...)
Show SMILES OC(=O)c1ccc2nc(-c3ccc(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)cc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C34H29N5O3/c40-33(41)25-14-15-27-29(20-25)36-31(23-6-2-1-3-7-23)32(35-27)24-12-10-22(11-13-24)21-38-18-16-26(17-19-38)39-30-9-5-4-8-28(30)37-34(39)42/h1-15,20,26H,16-19,21H2,(H,37,42)(H,40,41)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15163
PNG
(3-(4-{[4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-y...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C34H29N5O3/c40-33(41)25-14-15-27-29(20-25)36-32(31(35-27)23-6-2-1-3-7-23)24-12-10-22(11-13-24)21-38-18-16-26(17-19-38)39-30-9-5-4-8-28(30)37-34(39)42/h1-15,20,26H,16-19,21H2,(H,37,42)(H,40,41)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15164
PNG
(1-[1-({4-[3-phenyl-6-(2H-1,2,3,4-tetrazol-5-yl)qui...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccc(cc3nc2-c2ccccc2)-c2nnn[nH]2)CC1
Show InChI InChI=1S/C34H29N9O/c44-34-37-28-8-4-5-9-30(28)43(34)26-16-18-42(19-17-26)21-22-10-12-24(13-11-22)32-31(23-6-2-1-3-7-23)36-29-20-25(14-15-27(29)35-32)33-38-40-41-39-33/h1-15,20,26H,16-19,21H2,(H,37,44)(H,38,39,40,41)
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n/an/a 1.23E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15165
PNG
(1-[1-({4-[3-phenyl-7-(2H-1,2,3,4-tetrazol-5-yl)qui...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc(ccc3nc2-c2ccccc2)-c2nnn[nH]2)CC1
Show InChI InChI=1S/C34H29N9O/c44-34-37-28-8-4-5-9-30(28)43(34)26-16-18-42(19-17-26)21-22-10-12-24(13-11-22)32-31(23-6-2-1-3-7-23)35-27-15-14-25(20-29(27)36-32)33-38-40-41-39-33/h1-15,20,26H,16-19,21H2,(H,37,44)(H,38,39,40,41)
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n/an/a 1.61E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15166
PNG
(1-[1-({4-[6-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-3-...)
Show SMILES Cn1nnc(n1)-c1ccc2nc(-c3ccc(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)cc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C35H31N9O/c1-42-40-34(39-41-42)26-15-16-28-30(21-26)37-32(24-7-3-2-4-8-24)33(36-28)25-13-11-23(12-14-25)22-43-19-17-27(18-20-43)44-31-10-6-5-9-29(31)38-35(44)45/h2-16,21,27H,17-20,22H2,1H3,(H,38,45)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15167
PNG
(1-[1-({4-[7-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-3-...)
Show SMILES Cn1nnc(n1)-c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C35H31N9O/c1-42-40-34(39-41-42)26-15-16-28-30(21-26)37-33(32(36-28)24-7-3-2-4-8-24)25-13-11-23(12-14-25)22-43-19-17-27(18-20-43)44-31-10-6-5-9-29(31)38-35(44)45/h2-16,21,27H,17-20,22H2,1H3,(H,38,45)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15168
PNG
(1-{1-[(4-{7-phenyl-1H-pyrazolo[3,4-g]quinoxalin-6-...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4cn[nH]c4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-38-27-8-4-5-9-31(27)41(34)26-14-16-40(17-15-26)21-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-30-19-28-25(20-35-39-28)18-29(30)36-33/h1-13,18-20,26H,14-17,21H2,(H,35,39)(H,38,42)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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Article
PubMed
n/an/a 2.12E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15170
PNG
(1-(1-{[4-(3-phenylquinolin-2-yl)phenyl]methyl}pipe...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccccc3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H30N4O/c39-34-36-31-12-6-7-13-32(31)38(34)28-18-20-37(21-19-28)23-24-14-16-26(17-15-24)33-29(25-8-2-1-3-9-25)22-27-10-4-5-11-30(27)35-33/h1-17,22,28H,18-21,23H2,(H,36,39)
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n/an/a 365n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 905-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.062
BindingDB Entry DOI: 10.7270/Q2Q52MV8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15170
PNG
(1-(1-{[4-(3-phenylquinolin-2-yl)phenyl]methyl}pipe...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccccc3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H30N4O/c39-34-36-31-12-6-7-13-32(31)38(34)28-18-20-37(21-19-28)23-24-14-16-26(17-15-24)33-29(25-8-2-1-3-9-25)22-27-10-4-5-11-30(27)35-33/h1-17,22,28H,18-21,23H2,(H,36,39)
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n/an/a 1.21E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 905-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.062
BindingDB Entry DOI: 10.7270/Q2Q52MV8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15170
PNG
(1-(1-{[4-(3-phenylquinolin-2-yl)phenyl]methyl}pipe...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccccc3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H30N4O/c39-34-36-31-12-6-7-13-32(31)38(34)28-18-20-37(21-19-28)23-24-14-16-26(17-15-24)33-29(25-8-2-1-3-9-25)22-27-10-4-5-11-30(27)35-33/h1-17,22,28H,18-21,23H2,(H,36,39)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 905-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.062
BindingDB Entry DOI: 10.7270/Q2Q52MV8
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a 7.43E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a 2.20E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (unknown origin)


Eur J Med Chem 113: 214-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.047
BindingDB Entry DOI: 10.7270/Q2KD20TJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a 10n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of Akt2 (unknown origin)


Eur J Med Chem 113: 214-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.047
BindingDB Entry DOI: 10.7270/Q2KD20TJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a 58n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin)


Eur J Med Chem 113: 214-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.047
BindingDB Entry DOI: 10.7270/Q2KD20TJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15149
PNG
(1-(1-{[4-(3-phenylquinoxalin-2-yl)phenyl]methyl}pi...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccccc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C33H29N5O/c39-33-36-29-12-6-7-13-30(29)38(33)26-18-20-37(21-19-26)22-23-14-16-25(17-15-23)32-31(24-8-2-1-3-9-24)34-27-10-4-5-11-28(27)35-32/h1-17,26H,18-22H2,(H,36,39)
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n/an/a 290n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15162
PNG
(2-(4-{[4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-y...)
Show SMILES OC(=O)c1ccc2nc(-c3ccc(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)cc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C34H29N5O3/c40-33(41)25-14-15-27-29(20-25)36-31(23-6-2-1-3-7-23)32(35-27)24-12-10-22(11-13-24)21-38-18-16-26(17-19-38)39-30-9-5-4-8-28(30)37-34(39)42/h1-15,20,26H,16-19,21H2,(H,37,42)(H,40,41)
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n/an/a 240n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15163
PNG
(3-(4-{[4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-y...)
Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C34H29N5O3/c40-33(41)25-14-15-27-29(20-25)36-32(31(35-27)23-6-2-1-3-7-23)24-12-10-22(11-13-24)21-38-18-16-26(17-19-38)39-30-9-5-4-8-28(30)37-34(39)42/h1-15,20,26H,16-19,21H2,(H,37,42)(H,40,41)
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n/an/a 166n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50298449
PNG
(1-(1-(4-(6-((1H-tetrazol-1-yl)methyl)-3-phenylquin...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccc(Cn4cnnn4)cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C35H31N9O/c45-35-39-30-8-4-5-9-32(30)44(35)28-16-18-42(19-17-28)21-24-10-13-27(14-11-24)34-33(26-6-2-1-3-7-26)38-31-20-25(12-15-29(31)37-34)22-43-23-36-40-41-43/h1-15,20,23,28H,16-19,21-22H2,(H,39,45)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15168
PNG
(1-{1-[(4-{7-phenyl-1H-pyrazolo[3,4-g]quinoxalin-6-...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4cn[nH]c4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-38-27-8-4-5-9-31(27)41(34)26-14-16-40(17-15-26)21-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-30-19-28-25(20-35-39-28)18-29(30)36-33/h1-13,18-20,26H,14-17,21H2,(H,35,39)(H,38,42)
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n/an/a 85n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a 58n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of Akt1


J Med Chem 53: 1413-37 (2010)


Article DOI: 10.1021/jm901132v
BindingDB Entry DOI: 10.7270/Q2VD6ZK0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a 210n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of Akt2


J Med Chem 53: 1413-37 (2010)


Article DOI: 10.1021/jm901132v
BindingDB Entry DOI: 10.7270/Q2VD6ZK0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15149
PNG
(1-(1-{[4-(3-phenylquinoxalin-2-yl)phenyl]methyl}pi...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccccc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C33H29N5O/c39-33-36-29-12-6-7-13-30(29)38(33)26-18-20-37(21-19-26)22-23-14-16-25(17-15-23)32-31(24-8-2-1-3-9-24)34-27-10-4-5-11-28(27)35-32/h1-17,26H,18-22H2,(H,36,39)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt3


Bioorg Med Chem Lett 18: 3178-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a 58n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1


Bioorg Med Chem Lett 18: 3178-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a 210n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt2


Bioorg Med Chem Lett 18: 3178-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a 900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt2 by cell-based assay


Bioorg Med Chem Lett 18: 3178-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15149
PNG
(1-(1-{[4-(3-phenylquinoxalin-2-yl)phenyl]methyl}pi...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccccc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C33H29N5O/c39-33-36-29-12-6-7-13-30(29)38(33)26-18-20-37(21-19-26)22-23-14-16-25(17-15-23)32-31(24-8-2-1-3-9-24)34-27-10-4-5-11-28(27)35-32/h1-17,26H,18-22H2,(H,36,39)
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n/an/a 295n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1


Bioorg Med Chem Lett 18: 3178-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1 by cell-based assay


Bioorg Med Chem Lett 18: 3178-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15149
PNG
(1-(1-{[4-(3-phenylquinoxalin-2-yl)phenyl]methyl}pi...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccccc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C33H29N5O/c39-33-36-29-12-6-7-13-30(29)38(33)26-18-20-37(21-19-26)22-23-14-16-25(17-15-23)32-31(24-8-2-1-3-9-24)34-27-10-4-5-11-28(27)35-32/h1-17,26H,18-22H2,(H,36,39)
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n/an/a 2.06E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt2


Bioorg Med Chem Lett 18: 3178-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM15169
PNG
(1-{1-[(4-{7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-y...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
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n/an/a 58n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Akt1


Bioorg Med Chem Lett 18: 2211-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.023
BindingDB Entry DOI: 10.7270/Q27P908P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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