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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with Target = 'Protein kinase B (Akt1 E49C, C296S, C310S and C344S )' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM25013
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...)
Show SMILES CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM50313650
PNG
(8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]tr...)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1
Show InChI InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)
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n/an/a 6n/an/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153703
PNG
(2-(4-((4-(5-Chloro-2-oxo-2,3-dihydro-1H-benzo[d]im...)
Show SMILES Clc1ccc2n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C33H28ClN5O2/c34-24-10-11-30-29(18-24)37-33(41)39(30)25-13-16-38(17-14-25)20-21-6-8-23(9-7-21)31-26(22-4-2-1-3-5-22)19-27-28(36-31)12-15-35-32(27)40/h1-12,15,18-19,25H,13-14,16-17,20H2,(H,35,40)(H,37,41)
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n/an/a 10n/an/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM50237622
PNG
(4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
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n/an/a 29n/an/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153702
PNG
(2-(4-((4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C33H29N5O2/c39-32-27-20-26(23-6-2-1-3-7-23)31(35-28(27)14-17-34-32)24-12-10-22(11-13-24)21-37-18-15-25(16-19-37)38-30-9-5-4-8-29(30)36-33(38)40/h1-14,17,20,25H,15-16,18-19,21H2,(H,34,39)(H,36,40)
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Technische Universitšt Dortmund



Assay Description
IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153707
PNG
(3-Phenyl-2-(4-((4-(pyrimidin-2-yl)piperazin-1-yl)m...)
Show SMILES O=c1[nH]ccc2nc(-c3ccc(CN4CCN(CC4)c4ncccn4)cc3)c(cc12)-c1ccccc1
Show InChI InChI=1S/C29H26N6O/c36-28-25-19-24(22-5-2-1-3-6-22)27(33-26(25)11-14-30-28)23-9-7-21(8-10-23)20-34-15-17-35(18-16-34)29-31-12-4-13-32-29/h1-14,19H,15-18,20H2,(H,30,36)
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Technische Universitšt Dortmund



Assay Description
IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153705
PNG
(Methyl 1-(4-(5-oxo-3-phenyl-5,6-dihydro-1,6-naphth...)
Show SMILES COC(=O)C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C28H27N3O3/c1-34-28(33)22-12-15-31(16-13-22)18-19-7-9-21(10-8-19)26-23(20-5-3-2-4-6-20)17-24-25(30-26)11-14-29-27(24)32/h2-11,14,17,22H,12-13,15-16,18H2,1H3,(H,29,32)
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Technische Universitšt Dortmund



Assay Description
IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153704
PNG
(2-(4-((3,4-Dihydroisoquinolin-2(1H)-yl)methyl)phen...)
Show SMILES O=c1[nH]ccc2nc(-c3ccc(CN4CCc5ccccc5C4)cc3)c(cc12)-c1ccccc1
Show InChI InChI=1S/C30H25N3O/c34-30-27-18-26(23-7-2-1-3-8-23)29(32-28(27)14-16-31-30)24-12-10-21(11-13-24)19-33-17-15-22-6-4-5-9-25(22)20-33/h1-14,16,18H,15,17,19-20H2,(H,31,34)
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Technische Universitšt Dortmund



Assay Description
IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153706
PNG
(2-(4-((4-(4-Methoxyphenyl)piperazin-1-yl)methyl)ph...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C32H30N4O2/c1-38-27-13-11-26(12-14-27)36-19-17-35(18-20-36)22-23-7-9-25(10-8-23)31-28(24-5-3-2-4-6-24)21-29-30(34-31)15-16-33-32(29)37/h2-16,21H,17-20,22H2,1H3,(H,33,37)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153708
PNG
(3-Phenyl-2-(4-((4-(tetrahydrofuran-2-carbonyl)pipe...)
Show SMILES O=C(C1CCCO1)N1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1/C30H30N4O3/c35-29-25-19-24(22-5-2-1-3-6-22)28(32-26(25)12-13-31-29)23-10-8-21(9-11-23)20-33-14-16-34(17-15-33)30(36)27-7-4-18-37-27/h1-3,5-6,8-13,19,27H,4,7,14-18,20H2,(H,31,35)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153712
PNG
(5,7-diphenyl-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,...)
Show SMILES C(Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C23H18N4S/c1-3-8-17(9-4-1)20-15-27(18-10-5-2-6-11-18)23-21(20)22(25-16-26-23)24-14-19-12-7-13-28-19/h1-13,15-16H,14H2,(H,24,25,26)
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n/an/a 7.10E+4n/an/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153710
PNG
(7-(4-methylphenyl)-5-phenyl-N-(pyridin-3-ylmethyl)...)
Show SMILES Cc1ccc(cc1)-n1cc(-c2ccccc2)c2c(NCc3cccnc3)ncnc12
Show InChI InChI=1S/C25H21N5/c1-18-9-11-21(12-10-18)30-16-22(20-7-3-2-4-8-20)23-24(28-17-29-25(23)30)27-15-19-6-5-13-26-14-19/h2-14,16-17H,15H2,1H3,(H,27,28,29)
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n/an/a 1.60E+5n/an/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153709
PNG
(7-(4-methylphenyl)-5-phenyl-N-(thiophen-2-ylmethyl...)
Show SMILES Cc1ccc(cc1)-n1cc(-c2ccccc2)c2c(NCc3cccs3)ncnc12
Show InChI InChI=1S/C24H20N4S/c1-17-9-11-19(12-10-17)28-15-21(18-6-3-2-4-7-18)22-23(26-16-27-24(22)28)25-14-20-8-5-13-29-20/h2-13,15-16H,14H2,1H3,(H,25,26,27)
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n/an/a 1.96E+5n/an/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153715
PNG
(7-(3-chloro-4-methylphenyl)-5-phenyl-N-(thiophen-2...)
Show SMILES Cc1ccc(cc1Cl)-n1cc(-c2ccccc2)c2c(NCc3cccs3)ncnc12
Show InChI InChI=1S/C24H19ClN4S/c1-16-9-10-18(12-21(16)25)29-14-20(17-6-3-2-4-7-17)22-23(27-15-28-24(22)29)26-13-19-8-5-11-30-19/h2-12,14-15H,13H2,1H3,(H,26,27,28)
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Technische Universitšt Dortmund



Assay Description
IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153714
PNG
(N-benzyl-7-(4-methylphenyl)-5-phenyl-7H-pyrrolo[2,...)
Show SMILES Cc1ccc(cc1)-n1cc(-c2ccccc2)c2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C26H22N4/c1-19-12-14-22(15-13-19)30-17-23(21-10-6-3-7-11-21)24-25(28-18-29-26(24)30)27-16-20-8-4-2-5-9-20/h2-15,17-18H,16H2,1H3,(H,27,28,29)
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Technische Universitšt Dortmund



Assay Description
IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153714
PNG
(N-benzyl-7-(4-methylphenyl)-5-phenyl-7H-pyrrolo[2,...)
Show SMILES Cc1ccc(cc1)-n1cc(-c2ccccc2)c2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C26H22N4/c1-19-12-14-22(15-13-19)30-17-23(21-10-6-3-7-11-21)24-25(28-18-29-26(24)30)27-16-20-8-4-2-5-9-20/h2-15,17-18H,16H2,1H3,(H,27,28,29)
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n/an/an/a 6.00E+3n/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153713
PNG
(7-(3-methylphenyl)-5-phenyl-N-(thiophen-2-ylmethyl...)
Show SMILES Cc1cccc(c1)-n1cc(-c2ccccc2)c2c(NCc3cccs3)ncnc12
Show InChI InChI=1S/C24H20N4S/c1-17-7-5-10-19(13-17)28-15-21(18-8-3-2-4-9-18)22-23(26-16-27-24(22)28)25-14-20-11-6-12-29-20/h2-13,15-16H,14H2,1H3,(H,25,26,27)
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n/an/an/a 9.90E+4n/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153712
PNG
(5,7-diphenyl-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,...)
Show SMILES C(Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C23H18N4S/c1-3-8-17(9-4-1)20-15-27(18-10-5-2-6-11-18)23-21(20)22(25-16-26-23)24-14-19-12-7-13-28-19/h1-13,15-16H,14H2,(H,24,25,26)
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n/an/an/a 2.20E+3n/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153711
PNG
(7-(4-fluorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)...)
Show SMILES Fc1ccc(cc1)-n1cc(-c2ccccc2)c2c(NCc3ccccn3)ncnc12
Show InChI InChI=1S/C24H18FN5/c25-18-9-11-20(12-10-18)30-15-21(17-6-2-1-3-7-17)22-23(28-16-29-24(22)30)27-14-19-8-4-5-13-26-19/h1-13,15-16H,14H2,(H,27,28,29)
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n/an/an/a 2.00E+4n/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153710
PNG
(7-(4-methylphenyl)-5-phenyl-N-(pyridin-3-ylmethyl)...)
Show SMILES Cc1ccc(cc1)-n1cc(-c2ccccc2)c2c(NCc3cccnc3)ncnc12
Show InChI InChI=1S/C25H21N5/c1-18-9-11-21(12-10-18)30-16-22(20-7-3-2-4-8-20)23-24(28-17-29-25(23)30)27-15-19-6-5-13-26-14-19/h2-14,16-17H,15H2,1H3,(H,27,28,29)
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n/an/an/a 7.80E+3n/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153709
PNG
(7-(4-methylphenyl)-5-phenyl-N-(thiophen-2-ylmethyl...)
Show SMILES Cc1ccc(cc1)-n1cc(-c2ccccc2)c2c(NCc3cccs3)ncnc12
Show InChI InChI=1S/C24H20N4S/c1-17-9-11-19(12-10-17)28-15-21(18-6-3-2-4-7-18)22-23(26-16-27-24(22)28)25-14-20-8-5-13-29-20/h2-13,15-16H,14H2,1H3,(H,25,26,27)
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n/an/an/a 2.20E+3n/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM50313650
PNG
(8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]tr...)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1
Show InChI InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)
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n/an/an/a 90n/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153708
PNG
(3-Phenyl-2-(4-((4-(tetrahydrofuran-2-carbonyl)pipe...)
Show SMILES O=C(C1CCCO1)N1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1/C30H30N4O3/c35-29-25-19-24(22-5-2-1-3-6-22)28(32-26(25)12-13-31-29)23-10-8-21(9-11-23)20-33-14-16-34(17-15-33)30(36)27-7-4-18-37-27/h1-3,5-6,8-13,19,27H,4,7,14-18,20H2,(H,31,35)
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n/an/an/a 8.00E+3n/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153707
PNG
(3-Phenyl-2-(4-((4-(pyrimidin-2-yl)piperazin-1-yl)m...)
Show SMILES O=c1[nH]ccc2nc(-c3ccc(CN4CCN(CC4)c4ncccn4)cc3)c(cc12)-c1ccccc1
Show InChI InChI=1S/C29H26N6O/c36-28-25-19-24(22-5-2-1-3-6-22)27(33-26(25)11-14-30-28)23-9-7-21(8-10-23)20-34-15-17-35(18-16-34)29-31-12-4-13-32-29/h1-14,19H,15-18,20H2,(H,30,36)
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n/an/an/a 1.10E+3n/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153715
PNG
(7-(3-chloro-4-methylphenyl)-5-phenyl-N-(thiophen-2...)
Show SMILES Cc1ccc(cc1Cl)-n1cc(-c2ccccc2)c2c(NCc3cccs3)ncnc12
Show InChI InChI=1S/C24H19ClN4S/c1-16-9-10-18(12-21(16)25)29-14-20(17-6-3-2-4-7-17)22-23(27-15-28-24(22)29)26-13-19-8-5-11-30-19/h2-12,14-15H,13H2,1H3,(H,26,27,28)
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n/an/an/a 2.64E+5n/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153705
PNG
(Methyl 1-(4-(5-oxo-3-phenyl-5,6-dihydro-1,6-naphth...)
Show SMILES COC(=O)C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C28H27N3O3/c1-34-28(33)22-12-15-31(16-13-22)18-19-7-9-21(10-8-19)26-23(20-5-3-2-4-6-20)17-24-25(30-26)11-14-29-27(24)32/h2-11,14,17,22H,12-13,15-16,18H2,1H3,(H,29,32)
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n/an/an/a 900n/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153704
PNG
(2-(4-((3,4-Dihydroisoquinolin-2(1H)-yl)methyl)phen...)
Show SMILES O=c1[nH]ccc2nc(-c3ccc(CN4CCc5ccccc5C4)cc3)c(cc12)-c1ccccc1
Show InChI InChI=1S/C30H25N3O/c34-30-27-18-26(23-7-2-1-3-8-23)29(32-28(27)14-16-31-30)24-12-10-21(11-13-24)19-33-17-15-22-6-4-5-9-25(22)20-33/h1-14,16,18H,15,17,19-20H2,(H,31,34)
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n/an/an/a 6.00E+3n/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153703
PNG
(2-(4-((4-(5-Chloro-2-oxo-2,3-dihydro-1H-benzo[d]im...)
Show SMILES Clc1ccc2n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C33H28ClN5O2/c34-24-10-11-30-29(18-24)37-33(41)39(30)25-13-16-38(17-14-25)20-21-6-8-23(9-7-21)31-26(22-4-2-1-3-5-22)19-27-28(36-31)12-15-35-32(27)40/h1-12,15,18-19,25H,13-14,16-17,20H2,(H,35,40)(H,37,41)
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n/an/an/a 150n/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153702
PNG
(2-(4-((4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C33H29N5O2/c39-32-27-20-26(23-6-2-1-3-7-23)31(35-28(27)14-17-34-32)24-12-10-22(11-13-24)21-37-18-15-25(16-19-37)38-30-9-5-4-8-29(30)36-33(38)40/h1-14,17,20,25H,15-16,18-19,21H2,(H,34,39)(H,36,40)
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n/an/an/a 410n/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S )


(Homo sapiens (Human))
BDBM153706
PNG
(2-(4-((4-(4-Methoxyphenyl)piperazin-1-yl)methyl)ph...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C32H30N4O2/c1-38-27-13-11-26(12-14-27)36-19-17-35(18-20-36)22-23-7-9-25(10-8-23)31-28(24-5-3-2-4-6-24)21-29-30(34-31)15-16-33-32(29)37/h2-16,21H,17-20,22H2,1H3,(H,33,37)
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n/an/an/a 7.20E+3n/an/an/an/an/a



Technische Universitšt Dortmund



Assay Description
Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...


ACS Chem Biol 10: 279-88 (2015)

More data for this
Ligand-Target Pair