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PubMed code 19285393

Compile data set for download or QSAR
Found 90 hits of Enzyme Inhibition Constant Data   
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
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278693
PNG
((+/-)-N-(1-amino-3-phenylpropan-2-yl)-4-bromo-5-(1...)
Show SMILES NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)
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0.0400n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278098
PNG
(CHEMBL520788 | N-((S)-1-amino-3-(2-(trifluoromethy...)
Show SMILES NC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)14-5-7-28-20-15(14)6-8-29-20)21(31)30-13(11-27)9-12-3-1-2-4-16(12)22(24,25)26/h1-8,10,13H,9,11,27H2,(H,28,29)(H,30,31)/t13-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278837
PNG
(CHEMBL496690 | N-((S)-1-amino-3-(4-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-5-7-25-20-16(15)6-8-26-20)21(28)27-14(11-24)9-12-1-3-13(23)4-2-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278099
PNG
(CHEMBL482536 | N-((S)-1-amino-3-(3-(trifluoromethy...)
Show SMILES NC[C@H](Cc1cccc(c1)C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)15-4-6-28-20-16(15)5-7-29-20)21(31)30-14(11-27)9-12-2-1-3-13(8-12)22(24,25)26/h1-8,10,14H,9,11,27H2,(H,28,29)(H,30,31)/t14-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278099
PNG
(CHEMBL482536 | N-((S)-1-amino-3-(3-(trifluoromethy...)
Show SMILES NC[C@H](Cc1cccc(c1)C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)15-4-6-28-20-16(15)5-7-29-20)21(31)30-14(11-27)9-12-2-1-3-13(8-12)22(24,25)26/h1-8,10,14H,9,11,27H2,(H,28,29)(H,30,31)/t14-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278836
PNG
(CHEMBL523586 | N-((S)-1-amino-3-(3-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-4-6-25-20-16(15)5-7-26-20)21(28)27-14(11-24)9-12-2-1-3-13(23)8-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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0.630n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278833
PNG
(CHEMBL498051 | N-((S)-1-amino-3-(pyridin-4-yl)prop...)
Show SMILES NC[C@H](Cc1ccncc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C20H18BrN5OS/c21-16-10-17(20(27)26-13(11-22)9-12-1-5-23-6-2-12)28-18(16)14-3-7-24-19-15(14)4-8-25-19/h1-8,10,13H,9,11,22H2,(H,24,25)(H,26,27)/t13-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278837
PNG
(CHEMBL496690 | N-((S)-1-amino-3-(4-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-5-7-25-20-16(15)6-8-26-20)21(28)27-14(11-24)9-12-1-3-13(23)4-2-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278100
PNG
(CHEMBL482537 | N-((S)-1-amino-3-(4-(trifluoromethy...)
Show SMILES NC[C@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)15-5-7-28-20-16(15)6-8-29-20)21(31)30-14(11-27)9-12-1-3-13(4-2-12)22(24,25)26/h1-8,10,14H,9,11,27H2,(H,28,29)(H,30,31)/t14-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278770
PNG
(CHEMBL470597 | N-((S)-1-amino-3-phenylpropan-2-yl)...)
Show SMILES NC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)/t14-/m0/s1
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278770
PNG
(CHEMBL470597 | N-((S)-1-amino-3-phenylpropan-2-yl)...)
Show SMILES NC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)/t14-/m0/s1
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278098
PNG
(CHEMBL520788 | N-((S)-1-amino-3-(2-(trifluoromethy...)
Show SMILES NC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)14-5-7-28-20-15(14)6-8-29-20)21(31)30-13(11-27)9-12-3-1-2-4-16(12)22(24,25)26/h1-8,10,13H,9,11,27H2,(H,28,29)(H,30,31)/t13-/m0/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278099
PNG
(CHEMBL482536 | N-((S)-1-amino-3-(3-(trifluoromethy...)
Show SMILES NC[C@H](Cc1cccc(c1)C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)15-4-6-28-20-16(15)5-7-29-20)21(31)30-14(11-27)9-12-2-1-3-13(8-12)22(24,25)26/h1-8,10,14H,9,11,27H2,(H,28,29)(H,30,31)/t14-/m0/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278098
PNG
(CHEMBL520788 | N-((S)-1-amino-3-(2-(trifluoromethy...)
Show SMILES NC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)14-5-7-28-20-15(14)6-8-29-20)21(31)30-13(11-27)9-12-3-1-2-4-16(12)22(24,25)26/h1-8,10,13H,9,11,27H2,(H,28,29)(H,30,31)/t13-/m0/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278771
PNG
(CHEMBL470598 | N-((S)-1-amino-3-cyclohexylpropan-2...)
Show SMILES NC[C@H](CC1CCCCC1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H25BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h6-9,11,13-14H,1-5,10,12,23H2,(H,24,25)(H,26,27)/t14-/m0/s1
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278771
PNG
(CHEMBL470598 | N-((S)-1-amino-3-cyclohexylpropan-2...)
Show SMILES NC[C@H](CC1CCCCC1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H25BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h6-9,11,13-14H,1-5,10,12,23H2,(H,24,25)(H,26,27)/t14-/m0/s1
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278693
PNG
((+/-)-N-(1-amino-3-phenylpropan-2-yl)-4-bromo-5-(1...)
Show SMILES NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)
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8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278100
PNG
(CHEMBL482537 | N-((S)-1-amino-3-(4-(trifluoromethy...)
Show SMILES NC[C@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)15-5-7-28-20-16(15)6-8-29-20)21(31)30-14(11-27)9-12-1-3-13(4-2-12)22(24,25)26/h1-8,10,14H,9,11,27H2,(H,28,29)(H,30,31)/t14-/m0/s1
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278100
PNG
(CHEMBL482537 | N-((S)-1-amino-3-(4-(trifluoromethy...)
Show SMILES NC[C@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)15-5-7-28-20-16(15)6-8-29-20)21(31)30-14(11-27)9-12-1-3-13(4-2-12)22(24,25)26/h1-8,10,14H,9,11,27H2,(H,28,29)(H,30,31)/t14-/m0/s1
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278603
PNG
((+/-)-N-(2-amino-1-phenylethyl)-4-bromo-5-(1H-pyrr...)
Show SMILES NCC(NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C20H17BrN4OS/c21-15-10-17(20(26)25-16(11-22)12-4-2-1-3-5-12)27-18(15)13-6-8-23-19-14(13)7-9-24-19/h1-10,16H,11,22H2,(H,23,24)(H,25,26)
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278833
PNG
(CHEMBL498051 | N-((S)-1-amino-3-(pyridin-4-yl)prop...)
Show SMILES NC[C@H](Cc1ccncc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C20H18BrN5OS/c21-16-10-17(20(27)26-13(11-22)9-12-1-5-23-6-2-12)28-18(16)14-3-7-24-19-15(14)4-8-25-19/h1-8,10,13H,9,11,22H2,(H,24,25)(H,26,27)/t13-/m0/s1
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278834
PNG
(CHEMBL524998 | N-((S)-1-amino-3-(4-methoxyphenyl)p...)
Show SMILES COc1ccc(C[C@@H](CN)NC(=O)c2cc(Br)c(s2)-c2ccnc3[nH]ccc23)cc1
Show InChI InChI=1S/C22H21BrN4O2S/c1-29-15-4-2-13(3-5-15)10-14(12-24)27-22(28)19-11-18(23)20(30-19)16-6-8-25-21-17(16)7-9-26-21/h2-9,11,14H,10,12,24H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278603
PNG
((+/-)-N-(2-amino-1-phenylethyl)-4-bromo-5-(1H-pyrr...)
Show SMILES NCC(NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C20H17BrN4OS/c21-15-10-17(20(26)25-16(11-22)12-4-2-1-3-5-12)27-18(15)13-6-8-23-19-14(13)7-9-24-19/h1-10,16H,11,22H2,(H,23,24)(H,25,26)
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125n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278603
PNG
((+/-)-N-(2-amino-1-phenylethyl)-4-bromo-5-(1H-pyrr...)
Show SMILES NCC(NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C20H17BrN4OS/c21-15-10-17(20(26)25-16(11-22)12-4-2-1-3-5-12)27-18(15)13-6-8-23-19-14(13)7-9-24-19/h1-10,16H,11,22H2,(H,23,24)(H,25,26)
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125n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278769
PNG
(CHEMBL513728 | N-((R)-1-amino-3-phenylpropan-2-yl)...)
Show SMILES NC[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)/t14-/m1/s1
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800n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278769
PNG
(CHEMBL513728 | N-((R)-1-amino-3-phenylpropan-2-yl)...)
Show SMILES NC[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)/t14-/m1/s1
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800n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278099
PNG
(CHEMBL482536 | N-((S)-1-amino-3-(3-(trifluoromethy...)
Show SMILES NC[C@H](Cc1cccc(c1)C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)15-4-6-28-20-16(15)5-7-29-20)21(31)30-14(11-27)9-12-2-1-3-13(8-12)22(24,25)26/h1-8,10,14H,9,11,27H2,(H,28,29)(H,30,31)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278771
PNG
(CHEMBL470598 | N-((S)-1-amino-3-cyclohexylpropan-2...)
Show SMILES NC[C@H](CC1CCCCC1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H25BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h6-9,11,13-14H,1-5,10,12,23H2,(H,24,25)(H,26,27)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278770
PNG
(CHEMBL470597 | N-((S)-1-amino-3-phenylpropan-2-yl)...)
Show SMILES NC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278770
PNG
(CHEMBL470597 | N-((S)-1-amino-3-phenylpropan-2-yl)...)
Show SMILES NC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278836
PNG
(CHEMBL523586 | N-((S)-1-amino-3-(3-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-4-6-25-20-16(15)5-7-26-20)21(28)27-14(11-24)9-12-2-1-3-13(23)8-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278836
PNG
(CHEMBL523586 | N-((S)-1-amino-3-(3-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-4-6-25-20-16(15)5-7-26-20)21(28)27-14(11-24)9-12-2-1-3-13(23)8-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278771
PNG
(CHEMBL470598 | N-((S)-1-amino-3-cyclohexylpropan-2...)
Show SMILES NC[C@H](CC1CCCCC1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H25BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h6-9,11,13-14H,1-5,10,12,23H2,(H,24,25)(H,26,27)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278835
PNG
(CHEMBL498052 | N-((S)-1-amino-3-(2-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1ccccc1F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-16-10-18(29-19(16)14-5-7-25-20-15(14)6-8-26-20)21(28)27-13(11-24)9-12-3-1-2-4-17(12)23/h1-8,10,13H,9,11,24H2,(H,25,26)(H,27,28)/t13-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278837
PNG
(CHEMBL496690 | N-((S)-1-amino-3-(4-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-5-7-25-20-16(15)6-8-26-20)21(28)27-14(11-24)9-12-1-3-13(23)4-2-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278693
PNG
((+/-)-N-(1-amino-3-phenylpropan-2-yl)-4-bromo-5-(1...)
Show SMILES NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278694
PNG
(4-bromo-N-(1-(methylamino)-3-phenylpropan-2-yl)-5-...)
Show SMILES CNCC(Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H21BrN4OS/c1-24-13-15(11-14-5-3-2-4-6-14)27-22(28)19-12-18(23)20(29-19)16-7-9-25-21-17(16)8-10-26-21/h2-10,12,15,24H,11,13H2,1H3,(H,25,26)(H,27,28)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278837
PNG
(CHEMBL496690 | N-((S)-1-amino-3-(4-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-5-7-25-20-16(15)6-8-26-20)21(28)27-14(11-24)9-12-1-3-13(23)4-2-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278770
PNG
(CHEMBL470597 | N-((S)-1-amino-3-phenylpropan-2-yl)...)
Show SMILES NC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)/t14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278834
PNG
(CHEMBL524998 | N-((S)-1-amino-3-(4-methoxyphenyl)p...)
Show SMILES COc1ccc(C[C@@H](CN)NC(=O)c2cc(Br)c(s2)-c2ccnc3[nH]ccc23)cc1
Show InChI InChI=1S/C22H21BrN4O2S/c1-29-15-4-2-13(3-5-15)10-14(12-24)27-22(28)19-11-18(23)20(30-19)16-6-8-25-21-17(16)7-9-26-21/h2-9,11,14H,10,12,24H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278835
PNG
(CHEMBL498052 | N-((S)-1-amino-3-(2-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1ccccc1F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-16-10-18(29-19(16)14-5-7-25-20-15(14)6-8-26-20)21(28)27-13(11-24)9-12-3-1-2-4-17(12)23/h1-8,10,13H,9,11,24H2,(H,25,26)(H,27,28)/t13-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50278836
PNG
(CHEMBL523586 | N-((S)-1-amino-3-(3-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-4-6-25-20-16(15)5-7-26-20)21(28)27-14(11-24)9-12-2-1-3-13(23)8-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278836
PNG
(CHEMBL523586 | N-((S)-1-amino-3-(3-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-4-6-25-20-16(15)5-7-26-20)21(28)27-14(11-24)9-12-2-1-3-13(23)8-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278098
PNG
(CHEMBL520788 | N-((S)-1-amino-3-(2-(trifluoromethy...)
Show SMILES NC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)14-5-7-28-20-15(14)6-8-29-20)21(31)30-13(11-27)9-12-3-1-2-4-16(12)22(24,25)26/h1-8,10,13H,9,11,27H2,(H,28,29)(H,30,31)/t13-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278100
PNG
(CHEMBL482537 | N-((S)-1-amino-3-(4-(trifluoromethy...)
Show SMILES NC[C@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)15-5-7-28-20-16(15)6-8-29-20)21(31)30-14(11-27)9-12-1-3-13(4-2-12)22(24,25)26/h1-8,10,14H,9,11,27H2,(H,28,29)(H,30,31)/t14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278648
PNG
(4-bromo-N-(2-(methylamino)-1-phenylethyl)-5-(1H-py...)
Show SMILES CNCC(NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C21H19BrN4OS/c1-23-12-17(13-5-3-2-4-6-13)26-21(27)18-11-16(22)19(28-18)14-7-9-24-20-15(14)8-10-25-20/h2-11,17,23H,12H2,1H3,(H,24,25)(H,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278568
PNG
(CHEMBL512480 | N-(5-(1H-pyrrolo[2,3-b]pyridin-4-yl...)
Show SMILES NCC(C(=O)Nc1ccc(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C20H18N4OS/c21-12-16(13-4-2-1-3-5-13)20(25)24-18-7-6-17(26-18)14-8-10-22-19-15(14)9-11-23-19/h1-11,16H,12,21H2,(H,22,23)(H,24,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278098
PNG
(CHEMBL520788 | N-((S)-1-amino-3-(2-(trifluoromethy...)
Show SMILES NC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)14-5-7-28-20-15(14)6-8-29-20)21(31)30-13(11-27)9-12-3-1-2-4-16(12)22(24,25)26/h1-8,10,13H,9,11,27H2,(H,28,29)(H,30,31)/t13-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278100
PNG
(CHEMBL482537 | N-((S)-1-amino-3-(4-(trifluoromethy...)
Show SMILES NC[C@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)15-5-7-28-20-16(15)6-8-29-20)21(31)30-14(11-27)9-12-1-3-13(4-2-12)22(24,25)26/h1-8,10,14H,9,11,27H2,(H,28,29)(H,30,31)/t14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278834
PNG
(CHEMBL524998 | N-((S)-1-amino-3-(4-methoxyphenyl)p...)
Show SMILES COc1ccc(C[C@@H](CN)NC(=O)c2cc(Br)c(s2)-c2ccnc3[nH]ccc23)cc1
Show InChI InChI=1S/C22H21BrN4O2S/c1-29-15-4-2-13(3-5-15)10-14(12-24)27-22(28)19-11-18(23)20(30-19)16-6-8-25-21-17(16)7-9-26-21/h2-9,11,14H,10,12,24H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278834
PNG
(CHEMBL524998 | N-((S)-1-amino-3-(4-methoxyphenyl)p...)
Show SMILES COc1ccc(C[C@@H](CN)NC(=O)c2cc(Br)c(s2)-c2ccnc3[nH]ccc23)cc1
Show InChI InChI=1S/C22H21BrN4O2S/c1-29-15-4-2-13(3-5-15)10-14(12-24)27-22(28)19-11-18(23)20(30-19)16-6-8-25-21-17(16)7-9-26-21/h2-9,11,14H,10,12,24H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278771
PNG
(CHEMBL470598 | N-((S)-1-amino-3-cyclohexylpropan-2...)
Show SMILES NC[C@H](CC1CCCCC1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H25BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h6-9,11,13-14H,1-5,10,12,23H2,(H,24,25)(H,26,27)/t14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278693
PNG
((+/-)-N-(1-amino-3-phenylpropan-2-yl)-4-bromo-5-(1...)
Show SMILES NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278767
PNG
(4-bromo-N-(1-(ethylamino)-3-phenylpropan-2-yl)-5-(...)
Show SMILES CCNCC(Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C23H23BrN4OS/c1-2-25-14-16(12-15-6-4-3-5-7-15)28-23(29)20-13-19(24)21(30-20)17-8-10-26-22-18(17)9-11-27-22/h3-11,13,16,25H,2,12,14H2,1H3,(H,26,27)(H,28,29)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278532
PNG
(CHEMBL471034 | N-(2-amino-1-phenylethyl)-5-(1H-pyr...)
Show SMILES NCC(NC(=O)c1ccc(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C20H18N4OS/c21-12-16(13-4-2-1-3-5-13)24-20(25)18-7-6-17(26-18)14-8-10-22-19-15(14)9-11-23-19/h1-11,16H,12,21H2,(H,22,23)(H,24,25)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278837
PNG
(CHEMBL496690 | N-((S)-1-amino-3-(4-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-5-7-25-20-16(15)6-8-26-20)21(28)27-14(11-24)9-12-1-3-13(23)4-2-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278605
PNG
(CHEMBL512858 | N-(2-amino-1-phenylethyl)-4-cyclopr...)
Show SMILES NCC(NC(=O)c1cc(C2CC2)c(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C23H22N4OS/c24-13-19(15-4-2-1-3-5-15)27-23(28)20-12-18(14-6-7-14)21(29-20)16-8-10-25-22-17(16)9-11-26-22/h1-5,8-12,14,19H,6-7,13,24H2,(H,25,26)(H,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278603
PNG
((+/-)-N-(2-amino-1-phenylethyl)-4-bromo-5-(1H-pyrr...)
Show SMILES NCC(NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C20H17BrN4OS/c21-15-10-17(20(26)25-16(11-22)12-4-2-1-3-5-12)27-18(15)13-6-8-23-19-14(13)7-9-24-19/h1-10,16H,11,22H2,(H,23,24)(H,25,26)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278691
PNG
(CHEMBL469802 | N-(3-amino-1-phenylpropyl)-4-bromo-...)
Show SMILES NCCC(NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C21H19BrN4OS/c22-16-12-18(21(27)26-17(6-9-23)13-4-2-1-3-5-13)28-19(16)14-7-10-24-20-15(14)8-11-25-20/h1-5,7-8,10-12,17H,6,9,23H2,(H,24,25)(H,26,27)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278604
PNG
(CHEMBL469781 | N-(2-amino-1-phenylethyl)-4-methyl-...)
Show SMILES Cc1cc(sc1-c1ccnc2[nH]ccc12)C(=O)NC(CN)c1ccccc1
Show InChI InChI=1S/C21H20N4OS/c1-13-11-18(21(26)25-17(12-22)14-5-3-2-4-6-14)27-19(13)15-7-9-23-20-16(15)8-10-24-20/h2-11,17H,12,22H2,1H3,(H,23,24)(H,25,26)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278835
PNG
(CHEMBL498052 | N-((S)-1-amino-3-(2-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1ccccc1F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-16-10-18(29-19(16)14-5-7-25-20-15(14)6-8-26-20)21(28)27-13(11-24)9-12-3-1-2-4-17(12)23/h1-8,10,13H,9,11,24H2,(H,25,26)(H,27,28)/t13-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278836
PNG
(CHEMBL523586 | N-((S)-1-amino-3-(3-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-4-6-25-20-16(15)5-7-26-20)21(28)27-14(11-24)9-12-2-1-3-13(23)8-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278099
PNG
(CHEMBL482536 | N-((S)-1-amino-3-(3-(trifluoromethy...)
Show SMILES NC[C@H](Cc1cccc(c1)C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)15-4-6-28-20-16(15)5-7-29-20)21(31)30-14(11-27)9-12-2-1-3-13(8-12)22(24,25)26/h1-8,10,14H,9,11,27H2,(H,28,29)(H,30,31)/t14-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278768
PNG
(4-bromo-N-(1-(isopropylamino)-3-phenylpropan-2-yl)...)
Show SMILES CC(C)NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C24H25BrN4OS/c1-15(2)28-14-17(12-16-6-4-3-5-7-16)29-24(30)21-13-20(25)22(31-21)18-8-10-26-23-19(18)9-11-27-23/h3-11,13,15,17,28H,12,14H2,1-2H3,(H,26,27)(H,29,30)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278693
PNG
((+/-)-N-(1-amino-3-phenylpropan-2-yl)-4-bromo-5-(1...)
Show SMILES NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278533
PNG
(CHEMBL470192 | N-(2-amino-1-phenylethyl)-5-(1H-pyr...)
Show SMILES NCC(NC(=O)c1ccc(s1)-c1c[nH]c2ncccc12)c1ccccc1
Show InChI InChI=1S/C20H18N4OS/c21-11-16(13-5-2-1-3-6-13)24-20(25)18-9-8-17(26-18)15-12-23-19-14(15)7-4-10-22-19/h1-10,12,16H,11,21H2,(H,22,23)(H,24,25)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278603
PNG
((+/-)-N-(2-amino-1-phenylethyl)-4-bromo-5-(1H-pyrr...)
Show SMILES NCC(NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C20H17BrN4OS/c21-15-10-17(20(26)25-16(11-22)12-4-2-1-3-5-12)27-18(15)13-6-8-23-19-14(13)7-9-24-19/h1-10,16H,11,22H2,(H,23,24)(H,25,26)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278692
PNG
(CHEMBL513019 | N-(4-amino-1-phenylbutyl)-4-bromo-5...)
Show SMILES NCCCC(NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C22H21BrN4OS/c23-17-13-19(29-20(17)15-8-11-25-21-16(15)9-12-26-21)22(28)27-18(7-4-10-24)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-13,18H,4,7,10,24H2,(H,25,26)(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278690
PNG
(4-bromo-N-(2-(dimethylamino)-1-phenylethyl)-5-(1H-...)
Show SMILES CN(C)CC(NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C22H21BrN4OS/c1-27(2)13-18(14-6-4-3-5-7-14)26-22(28)19-12-17(23)20(29-19)15-8-10-24-21-16(15)9-11-25-21/h3-12,18H,13H2,1-2H3,(H,24,25)(H,26,28)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278569
PNG
(3-amino-N-(4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-y...)
Show SMILES NCC(C(=O)Nc1cc(Br)c(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C20H17BrN4OS/c21-16-10-17(25-20(26)15(11-22)12-4-2-1-3-5-12)27-18(16)13-6-8-23-19-14(13)7-9-24-19/h1-10,15H,11,22H2,(H,23,24)(H,25,26)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278565
PNG
(CHEMBL512305 | N-(2-amino-1-phenylethyl)-4-(1H-pyr...)
Show SMILES NCC(NC(=O)c1cc(cs1)-c1c[nH]c2ncccc12)c1ccccc1
Show InChI InChI=1S/C20H18N4OS/c21-10-17(13-5-2-1-3-6-13)24-20(25)18-9-14(12-26-18)16-11-23-19-15(16)7-4-8-22-19/h1-9,11-12,17H,10,21H2,(H,22,23)(H,24,25)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278769
PNG
(CHEMBL513728 | N-((R)-1-amino-3-phenylpropan-2-yl)...)
Show SMILES NC[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)/t14-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278769
PNG
(CHEMBL513728 | N-((R)-1-amino-3-phenylpropan-2-yl)...)
Show SMILES NC[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)/t14-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278769
PNG
(CHEMBL513728 | N-((R)-1-amino-3-phenylpropan-2-yl)...)
Show SMILES NC[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)/t14-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278534
PNG
(CHEMBL512672 | N-(2-amino-1-phenylethyl)-4-(1H-pyr...)
Show SMILES NCC(NC(=O)c1cc(cs1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C20H18N4OS/c21-11-17(13-4-2-1-3-5-13)24-20(25)18-10-14(12-26-18)15-6-8-22-19-16(15)7-9-23-19/h1-10,12,17H,11,21H2,(H,22,23)(H,24,25)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM50278836
PNG
(CHEMBL523586 | N-((S)-1-amino-3-(3-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-4-6-25-20-16(15)5-7-26-20)21(28)27-14(11-24)9-12-2-1-3-13(23)8-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278647
PNG
(CHEMBL512148 | N-(2-amino-2-phenylethyl)-4-bromo-5...)
Show SMILES NC(CNC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C20H17BrN4OS/c21-15-10-17(20(26)25-11-16(22)12-4-2-1-3-5-12)27-18(15)13-6-8-23-19-14(13)7-9-24-19/h1-10,16H,11,22H2,(H,23,24)(H,25,26)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278606
PNG
(CHEMBL470200 | N-(2-amino-1-phenylethyl)-4-phenyl-...)
Show SMILES NCC(NC(=O)c1cc(c(s1)-c1ccnc2[nH]ccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H22N4OS/c27-16-22(18-9-5-2-6-10-18)30-26(31)23-15-21(17-7-3-1-4-8-17)24(32-23)19-11-13-28-25-20(19)12-14-29-25/h1-15,22H,16,27H2,(H,28,29)(H,30,31)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278834
PNG
(CHEMBL524998 | N-((S)-1-amino-3-(4-methoxyphenyl)p...)
Show SMILES COc1ccc(C[C@@H](CN)NC(=O)c2cc(Br)c(s2)-c2ccnc3[nH]ccc23)cc1
Show InChI InChI=1S/C22H21BrN4O2S/c1-29-15-4-2-13(3-5-15)10-14(12-24)27-22(28)19-11-18(23)20(30-19)16-6-8-25-21-17(16)7-9-26-21/h2-9,11,14H,10,12,24H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278644
PNG
(CHEMBL469357 | N-(2-amino-1-phenylethyl)-4-(pyridi...)
Show SMILES NCC(NC(=O)c1cc(c(s1)-c1ccnc2[nH]ccc12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C25H21N5OS/c26-14-21(16-5-2-1-3-6-16)30-25(31)22-13-20(17-7-4-10-27-15-17)23(32-22)18-8-11-28-24-19(18)9-12-29-24/h1-13,15,21H,14,26H2,(H,28,29)(H,30,31)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278645
PNG
(CHEMBL470202 | N-(2-amino-1-phenylethyl)-4-(1H-pyr...)
Show SMILES NCC(NC(=O)c1cc(-c2cn[nH]c2)c(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C23H20N6OS/c24-11-19(14-4-2-1-3-5-14)29-23(30)20-10-18(15-12-27-28-13-15)21(31-20)16-6-8-25-22-17(16)7-9-26-22/h1-10,12-13,19H,11,24H2,(H,25,26)(H,27,28)(H,29,30)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278566
PNG
(CHEMBL469560 | N1-((5-(1H-pyrrolo[2,3-b]pyridin-4-...)
Show SMILES NCC(NCc1ccc(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C20H20N4S/c21-12-18(14-4-2-1-3-5-14)24-13-15-6-7-19(25-15)16-8-10-22-20-17(16)9-11-23-20/h1-11,18,24H,12-13,21H2,(H,22,23)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278646
PNG
(CHEMBL470409 | N-(2-aminoethyl)-4-bromo-5-(1H-pyrr...)
Show SMILES NCCNC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C14H13BrN4OS/c15-10-7-11(14(20)19-6-3-16)21-12(10)8-1-4-17-13-9(8)2-5-18-13/h1-2,4-5,7H,3,6,16H2,(H,17,18)(H,19,20)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50278567
PNG
(CHEMBL469561 | N1-(5-(1H-pyrrolo[2,3-b]pyridin-4-y...)
Show SMILES NCC(CNc1ccc(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C20H20N4S/c21-12-15(14-4-2-1-3-5-14)13-24-19-7-6-18(25-19)16-8-10-22-20-17(16)9-11-23-20/h1-11,15,24H,12-13,21H2,(H,22,23)
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n/an/a 250n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50278836
PNG
(CHEMBL523586 | N-((S)-1-amino-3-(3-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-4-6-25-20-16(15)5-7-26-20)21(28)27-14(11-24)9-12-2-1-3-13(23)8-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50278836
PNG
(CHEMBL523586 | N-((S)-1-amino-3-(3-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-4-6-25-20-16(15)5-7-26-20)21(28)27-14(11-24)9-12-2-1-3-13(23)8-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK2


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (human))
BDBM50278836
PNG
(CHEMBL523586 | N-((S)-1-amino-3-(3-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-4-6-25-20-16(15)5-7-26-20)21(28)27-14(11-24)9-12-2-1-3-13(23)8-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50278836
PNG
(CHEMBL523586 | N-((S)-1-amino-3-(3-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-4-6-25-20-16(15)5-7-26-20)21(28)27-14(11-24)9-12-2-1-3-13(23)8-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50278836
PNG
(CHEMBL523586 | N-((S)-1-amino-3-(3-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-4-6-25-20-16(15)5-7-26-20)21(28)27-14(11-24)9-12-2-1-3-13(23)8-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of SYK


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50278836
PNG
(CHEMBL523586 | N-((S)-1-amino-3-(3-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-4-6-25-20-16(15)5-7-26-20)21(28)27-14(11-24)9-12-2-1-3-13(23)8-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of P38alpha


Bioorg Med Chem Lett 19: 2244-8 (2009)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%