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Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'leander' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/Host
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256715
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES O=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C34H29N9O/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39)
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n/an/a 2.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256723
PNG
(9-phenyl-8-(4-((4-(4-(pyridin-2-yl)-1H-imidazol-1-...)
Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)n2cnc(c2)-c2ccccn2)cc1
Show InChI InChI=1S/C35H31N9/c36-35-41-40-34-29-20-28(25-6-2-1-3-7-25)33(39-30(29)15-19-44(34)35)26-11-9-24(10-12-26)21-42-17-13-27(14-18-42)43-22-32(38-23-43)31-8-4-5-16-37-31/h1-12,15-16,19-20,22-23,27H,13-14,17-18,21H2,(H2,36,41)
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n/an/a 2.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256714
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C34H30N10/c35-34-42-41-33-27-20-26(23-6-2-1-3-7-23)30(37-28(27)15-19-44(33)34)24-11-9-22(10-12-24)21-43-17-13-25(14-18-43)31-38-32(40-39-31)29-8-4-5-16-36-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H2,35,42)(H,38,39,40)
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n/an/a 2.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256723
PNG
(9-phenyl-8-(4-((4-(4-(pyridin-2-yl)-1H-imidazol-1-...)
Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)n2cnc(c2)-c2ccccn2)cc1
Show InChI InChI=1S/C35H31N9/c36-35-41-40-34-29-20-28(25-6-2-1-3-7-25)33(39-30(29)15-19-44(34)35)26-11-9-24(10-12-26)21-42-17-13-27(14-18-42)43-22-32(38-23-43)31-8-4-5-16-37-31/h1-12,15-16,19-20,22-23,27H,13-14,17-18,21H2,(H2,36,41)
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n/an/a 3.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256713
PNG
(3-phenyl-2-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES O=c1[nH]ccc2nc(-c3ccc(CN4CCC(CC4)c4nnc([nH]4)-c4ccccn4)cc3)c(cc12)-c1ccccc1
Show InChI InChI=1S/C33H29N7O/c41-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)13-17-35-33)24-11-9-22(10-12-24)21-40-18-14-25(15-19-40)31-37-32(39-38-31)29-8-4-5-16-34-29/h1-13,16-17,20,25H,14-15,18-19,21H2,(H,35,41)(H,37,38,39)
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n/an/a 3.5n/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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256718
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ccn3cnnc3c2cc1-c1ccccc1
Show InChI InChI=1S/C34H29N9/c1-2-6-24(7-3-1)27-20-28-29(15-19-43-22-36-41-34(28)43)37-31(27)25-11-9-23(10-12-25)21-42-17-13-26(14-18-42)32-38-33(40-39-32)30-8-4-5-16-35-30/h1-12,15-16,19-20,22,26H,13-14,17-18,21H2,(H,38,39,40)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256719
PNG
(3-methyl-9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,...)
Show SMILES Cc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C35H31N9/c1-23-39-42-35-29-21-28(25-7-3-2-4-8-25)32(37-30(29)16-20-44(23)35)26-12-10-24(11-13-26)22-43-18-14-27(15-19-43)33-38-34(41-40-33)31-9-5-6-17-36-31/h2-13,16-17,20-21,27H,14-15,18-19,22H2,1H3,(H,38,40,41)
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n/an/a 4.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256718
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ccn3cnnc3c2cc1-c1ccccc1
Show InChI InChI=1S/C34H29N9/c1-2-6-24(7-3-1)27-20-28-29(15-19-43-22-36-41-34(28)43)37-31(27)25-11-9-23(10-12-25)21-42-17-13-26(14-18-42)32-38-33(40-39-32)30-8-4-5-16-35-30/h1-12,15-16,19-20,22,26H,13-14,17-18,21H2,(H,38,39,40)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50373461
PNG
(CHEMBL259753)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2cccnc2cc1-c1ccccc1
Show InChI InChI=1S/C33H29N7/c1-2-7-24(8-3-1)27-21-30-28(10-6-18-35-30)36-31(27)25-13-11-23(12-14-25)22-40-19-15-26(16-20-40)32-37-33(39-38-32)29-9-4-5-17-34-29/h1-14,17-18,21,26H,15-16,19-20,22H2,(H,37,38,39)
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n/an/a 5.60n/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
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256715
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES O=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C34H29N9O/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39)
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n/an/a 6.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50373462
PNG
(CHEMBL259967)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ccncc2cc1-c1ccccc1
Show InChI InChI=1S/C33H29N7/c1-2-6-24(7-3-1)28-20-27-21-34-17-13-29(27)36-31(28)25-11-9-23(10-12-25)22-40-18-14-26(15-19-40)32-37-33(39-38-32)30-8-4-5-16-35-30/h1-13,16-17,20-21,26H,14-15,18-19,22H2,(H,37,38,39)
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n/an/a 7.40n/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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256717
PNG
(1-(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-tr...)
Show SMILES NC(=O)Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C35H31N11O/c36-34(47)40-35-44-43-33-27-20-26(23-6-2-1-3-7-23)30(38-28(27)15-19-46(33)35)24-11-9-22(10-12-24)21-45-17-13-25(14-18-45)31-39-32(42-41-31)29-8-4-5-16-37-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,39,41,42)(H3,36,40,44,47)
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n/an/a 8.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256714
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C34H30N10/c35-34-42-41-33-27-20-26(23-6-2-1-3-7-23)30(37-28(27)15-19-44(33)34)24-11-9-22(10-12-24)21-43-17-13-25(14-18-43)31-38-32(40-39-31)29-8-4-5-16-36-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H2,35,42)(H,38,39,40)
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n/an/a 9.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256721
PNG
(3-((4-methylpiperazin-1-yl)methyl)-9-phenyl-8-(4-(...)
Show SMILES CN1CCN(Cc2nnc3c4cc(-c5ccccc5)c(nc4ccn23)-c2ccc(CN3CCC(CC3)c3nnc([nH]3)-c3ccccn3)cc2)CC1
Show InChI InChI=1S/C40H41N11/c1-48-21-23-50(24-22-48)27-36-44-47-40-33-25-32(29-7-3-2-4-8-29)37(42-34(33)16-20-51(36)40)30-12-10-28(11-13-30)26-49-18-14-31(15-19-49)38-43-39(46-45-38)35-9-5-6-17-41-35/h2-13,16-17,20,25,31H,14-15,18-19,21-24,26-27H2,1H3,(H,43,45,46)
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n/an/a 9.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256716
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES S=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C34H29N9S/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256718
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ccn3cnnc3c2cc1-c1ccccc1
Show InChI InChI=1S/C34H29N9/c1-2-6-24(7-3-1)27-20-28-29(15-19-43-22-36-41-34(28)43)37-31(27)25-11-9-23(10-12-25)21-42-17-13-26(14-18-42)32-38-33(40-39-32)30-8-4-5-16-35-30/h1-12,15-16,19-20,22,26H,13-14,17-18,21H2,(H,38,39,40)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256716
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES S=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C34H29N9S/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39)
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n/an/a 10.4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256720
PNG
(3-(chloromethyl)-9-phenyl-8-(4-((4-(5-(pyridin-2-y...)
Show SMILES ClCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C35H30ClN9/c36-21-31-40-43-35-28-20-27(24-6-2-1-3-7-24)32(38-29(28)15-19-45(31)35)25-11-9-23(10-12-25)22-44-17-13-26(14-18-44)33-39-34(42-41-33)30-8-4-5-16-37-30/h1-12,15-16,19-20,26H,13-14,17-18,21-22H2,(H,39,41,42)
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n/an/a 10.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256719
PNG
(3-methyl-9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,...)
Show SMILES Cc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C35H31N9/c1-23-39-42-35-29-21-28(25-7-3-2-4-8-25)32(37-30(29)16-20-44(23)35)26-12-10-24(11-13-26)22-43-18-14-27(15-19-43)33-38-34(41-40-33)31-9-5-6-17-36-31/h2-13,16-17,20-21,27H,14-15,18-19,22H2,1H3,(H,38,40,41)
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n/an/a 14.6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256713
PNG
(3-phenyl-2-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES O=c1[nH]ccc2nc(-c3ccc(CN4CCC(CC4)c4nnc([nH]4)-c4ccccn4)cc3)c(cc12)-c1ccccc1
Show InChI InChI=1S/C33H29N7O/c41-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)13-17-35-33)24-11-9-22(10-12-24)21-40-18-14-25(15-19-40)31-37-32(39-38-31)29-8-4-5-16-34-29/h1-13,16-17,20,25H,14-15,18-19,21H2,(H,35,41)(H,37,38,39)
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n/an/a 16n/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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256722
PNG
(2-((9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-t...)
Show SMILES OCCNCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C37H36N10O/c48-21-17-38-23-33-42-45-37-30-22-29(26-6-2-1-3-7-26)34(40-31(30)15-20-47(33)37)27-11-9-25(10-12-27)24-46-18-13-28(14-19-46)35-41-36(44-43-35)32-8-4-5-16-39-32/h1-12,15-16,20,22,28,38,48H,13-14,17-19,21,23-24H2,(H,41,43,44)
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256716
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES S=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C34H29N9S/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39)
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256714
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C34H30N10/c35-34-42-41-33-27-20-26(23-6-2-1-3-7-23)30(37-28(27)15-19-44(33)34)24-11-9-22(10-12-24)21-43-17-13-25(14-18-43)31-38-32(40-39-31)29-8-4-5-16-36-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H2,35,42)(H,38,39,40)
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n/an/a 18.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256723
PNG
(9-phenyl-8-(4-((4-(4-(pyridin-2-yl)-1H-imidazol-1-...)
Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)n2cnc(c2)-c2ccccn2)cc1
Show InChI InChI=1S/C35H31N9/c36-35-41-40-34-29-20-28(25-6-2-1-3-7-25)33(39-30(29)15-19-44(34)35)26-11-9-24(10-12-26)21-42-17-13-27(14-18-42)43-22-32(38-23-43)31-8-4-5-16-37-31/h1-12,15-16,19-20,22-23,27H,13-14,17-18,21H2,(H2,36,41)
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n/an/a 18.3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50373463
PNG
(CHEMBL259968)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2cnccc2cc1-c1ccccc1
Show InChI InChI=1S/C33H29N7/c1-2-6-24(7-3-1)28-20-27-13-17-34-21-30(27)36-31(28)25-11-9-23(10-12-25)22-40-18-14-26(15-19-40)32-37-33(39-38-32)29-8-4-5-16-35-29/h1-13,16-17,20-21,26H,14-15,18-19,22H2,(H,37,38,39)
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n/an/a 21n/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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50373462
PNG
(CHEMBL259967)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ccncc2cc1-c1ccccc1
Show InChI InChI=1S/C33H29N7/c1-2-6-24(7-3-1)28-20-27-21-34-17-13-29(27)36-31(28)25-11-9-23(10-12-25)22-40-18-14-26(15-19-40)32-37-33(39-38-32)30-8-4-5-16-35-30/h1-13,16-17,20-21,26H,14-15,18-19,22H2,(H,37,38,39)
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n/an/a 21n/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
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256717
PNG
(1-(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-tr...)
Show SMILES NC(=O)Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C35H31N11O/c36-34(47)40-35-44-43-33-27-20-26(23-6-2-1-3-7-23)30(38-28(27)15-19-46(33)35)24-11-9-22(10-12-24)21-45-17-13-25(14-18-45)31-39-32(42-41-31)29-8-4-5-16-37-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,39,41,42)(H3,36,40,44,47)
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n/an/a 24.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256719
PNG
(3-methyl-9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,...)
Show SMILES Cc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C35H31N9/c1-23-39-42-35-29-21-28(25-7-3-2-4-8-25)32(37-30(29)16-20-44(23)35)26-12-10-24(11-13-26)22-43-18-14-27(15-19-43)33-38-34(41-40-33)31-9-5-6-17-36-31/h2-13,16-17,20-21,27H,14-15,18-19,22H2,1H3,(H,38,40,41)
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n/an/a 24.6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256720
PNG
(3-(chloromethyl)-9-phenyl-8-(4-((4-(5-(pyridin-2-y...)
Show SMILES ClCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C35H30ClN9/c36-21-31-40-43-35-28-20-27(24-6-2-1-3-7-24)32(38-29(28)15-19-45(31)35)25-11-9-23(10-12-25)22-44-17-13-26(14-18-44)33-39-34(42-41-33)30-8-4-5-16-37-30/h1-12,15-16,19-20,26H,13-14,17-18,21-22H2,(H,39,41,42)
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n/an/a 26.7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256715
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES O=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C34H29N9O/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39)
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50373461
PNG
(CHEMBL259753)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2cccnc2cc1-c1ccccc1
Show InChI InChI=1S/C33H29N7/c1-2-7-24(8-3-1)27-21-30-28(10-6-18-35-30)36-31(27)25-13-11-23(12-14-25)22-40-19-15-26(16-20-40)32-37-33(39-38-32)29-9-4-5-17-34-29/h1-14,17-18,21,26H,15-16,19-20,22H2,(H,37,38,39)
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n/an/a 30n/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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50373463
PNG
(CHEMBL259968)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2cnccc2cc1-c1ccccc1
Show InChI InChI=1S/C33H29N7/c1-2-6-24(7-3-1)28-20-27-13-17-34-21-30(27)36-31(28)25-11-9-23(10-12-25)22-40-18-14-26(15-19-40)32-37-33(39-38-32)29-8-4-5-16-35-29/h1-13,16-17,20-21,26H,14-15,18-19,22H2,(H,37,38,39)
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n/an/a 31n/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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50373465
PNG
(CHEMBL260184)
Show SMILES O=c1ccc(c[nH]1)-c1cc([nH]n1)C1CCN(Cc2ccc(cc2)-c2nc3ncccc3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H30N6O/c41-32-13-12-28(21-36-32)31-20-30(38-39-31)25-14-17-40(18-15-25)22-23-8-10-26(11-9-23)33-29(24-5-2-1-3-6-24)19-27-7-4-16-35-34(27)37-33/h1-13,16,19-21,25H,14-15,17-18,22H2,(H,36,41)(H,38,39)
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n/an/a 34n/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
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256718
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ccn3cnnc3c2cc1-c1ccccc1
Show InChI InChI=1S/C34H29N9/c1-2-6-24(7-3-1)27-20-28-29(15-19-43-22-36-41-34(28)43)37-31(27)25-11-9-23(10-12-25)21-42-17-13-26(14-18-42)32-38-33(40-39-32)30-8-4-5-16-35-30/h1-12,15-16,19-20,22,26H,13-14,17-18,21H2,(H,38,39,40)
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt2 (unknown origin) by cell based assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256722
PNG
(2-((9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-t...)
Show SMILES OCCNCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C37H36N10O/c48-21-17-38-23-33-42-45-37-30-22-29(26-6-2-1-3-7-26)34(40-31(30)15-20-47(33)37)27-11-9-25(10-12-27)24-46-18-13-28(14-19-46)35-41-36(44-43-35)32-8-4-5-16-39-32/h1-12,15-16,20,22,28,38,48H,13-14,17-19,21,23-24H2,(H,41,43,44)
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n/an/a 41.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256713
PNG
(3-phenyl-2-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES O=c1[nH]ccc2nc(-c3ccc(CN4CCC(CC4)c4nnc([nH]4)-c4ccccn4)cc3)c(cc12)-c1ccccc1
Show InChI InChI=1S/C33H29N7O/c41-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)13-17-35-33)24-11-9-22(10-12-24)21-40-18-14-25(15-19-40)31-37-32(39-38-31)29-8-4-5-16-34-29/h1-13,16-17,20,25H,14-15,18-19,21H2,(H,35,41)(H,37,38,39)
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n/an/a 42n/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))
BDBM50373466
PNG
(CHEMBL259982)
Show SMILES C(N1CCC(CC1)c1cc(n[nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ncccc2cc1-c1ccccc1
Show InChI InChI=1S/C34H30N6/c1-2-7-25(8-3-1)29-21-28-9-6-18-36-34(28)37-33(29)27-13-11-24(12-14-27)23-40-19-15-26(16-20-40)31-22-32(39-38-31)30-10-4-5-17-35-30/h1-14,17-18,21-22,26H,15-16,19-20,23H2,(H,38,39)
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n/an/a 44n/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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50373464
PNG
(CHEMBL260670)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ncccc2cc1-c1ccccc1
Show InChI InChI=1S/C33H29N7/c1-2-7-24(8-3-1)28-21-27-9-6-18-35-31(27)36-30(28)25-13-11-23(12-14-25)22-40-19-15-26(16-20-40)32-37-33(39-38-32)29-10-4-5-17-34-29/h1-14,17-18,21,26H,15-16,19-20,22H2,(H,37,38,39)
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n/an/a 45n/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
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256714
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C34H30N10/c35-34-42-41-33-27-20-26(23-6-2-1-3-7-23)30(37-28(27)15-19-44(33)34)24-11-9-22(10-12-24)21-43-17-13-25(14-18-43)31-38-32(40-39-31)29-8-4-5-16-36-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H2,35,42)(H,38,39,40)
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n/an/a 47.7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt2 (unknown origin) by cell based assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256721
PNG
(3-((4-methylpiperazin-1-yl)methyl)-9-phenyl-8-(4-(...)
Show SMILES CN1CCN(Cc2nnc3c4cc(-c5ccccc5)c(nc4ccn23)-c2ccc(CN3CCC(CC3)c3nnc([nH]3)-c3ccccn3)cc2)CC1
Show InChI InChI=1S/C40H41N11/c1-48-21-23-50(24-22-48)27-36-44-47-40-33-25-32(29-7-3-2-4-8-29)37(42-34(33)16-20-51(36)40)30-12-10-28(11-13-30)26-49-18-14-31(15-19-49)38-43-39(46-45-38)35-9-5-6-17-41-35/h2-13,16-17,20,25,31H,14-15,18-19,21-24,26-27H2,1H3,(H,43,45,46)
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n/an/a 55.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
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)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256721
PNG
(3-((4-methylpiperazin-1-yl)methyl)-9-phenyl-8-(4-(...)
Show SMILES CN1CCN(Cc2nnc3c4cc(-c5ccccc5)c(nc4ccn23)-c2ccc(CN3CCC(CC3)c3nnc([nH]3)-c3ccccn3)cc2)CC1
Show InChI InChI=1S/C40H41N11/c1-48-21-23-50(24-22-48)27-36-44-47-40-33-25-32(29-7-3-2-4-8-29)37(42-34(33)16-20-51(36)40)30-12-10-28(11-13-30)26-49-18-14-31(15-19-49)38-43-39(46-45-38)35-9-5-6-17-41-35/h2-13,16-17,20,25,31H,14-15,18-19,21-24,26-27H2,1H3,(H,43,45,46)
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n/an/a 62.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50373461
PNG
(CHEMBL259753)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2cccnc2cc1-c1ccccc1
Show InChI InChI=1S/C33H29N7/c1-2-7-24(8-3-1)27-21-30-28(10-6-18-35-30)36-31(27)25-13-11-23(12-14-25)22-40-19-15-26(16-20-40)32-37-33(39-38-32)29-9-4-5-17-34-29/h1-14,17-18,21,26H,15-16,19-20,22H2,(H,37,38,39)
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n/an/a 70n/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-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256723
PNG
(9-phenyl-8-(4-((4-(4-(pyridin-2-yl)-1H-imidazol-1-...)
Show SMILES Nc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)n2cnc(c2)-c2ccccn2)cc1
Show InChI InChI=1S/C35H31N9/c36-35-41-40-34-29-20-28(25-6-2-1-3-7-25)33(39-30(29)15-19-44(34)35)26-11-9-24(10-12-26)21-42-17-13-27(14-18-42)43-22-32(38-23-43)31-8-4-5-16-37-31/h1-12,15-16,19-20,22-23,27H,13-14,17-18,21H2,(H2,36,41)
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n/an/a 74.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt2 (unknown origin) by cell based assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50373467
PNG
(CHEMBL261542)
Show SMILES C(N1CCC(CC1)c1cc(n[nH]1)-c1ccncc1)c1ccc(cc1)-c1nc2ccccc2nc1-c1ccccc1
Show InChI InChI=1S/C34H30N6/c1-2-6-27(7-3-1)33-34(37-30-9-5-4-8-29(30)36-33)28-12-10-24(11-13-28)23-40-20-16-26(17-21-40)32-22-31(38-39-32)25-14-18-35-19-15-25/h1-15,18-19,22,26H,16-17,20-21,23H2,(H,38,39)
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n/an/a 75n/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
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256722
PNG
(2-((9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-t...)
Show SMILES OCCNCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C37H36N10O/c48-21-17-38-23-33-42-45-37-30-22-29(26-6-2-1-3-7-26)34(40-31(30)15-20-47(33)37)27-11-9-25(10-12-27)24-46-18-13-28(14-19-46)35-41-36(44-43-35)32-8-4-5-16-39-32/h1-12,15-16,20,22,28,38,48H,13-14,17-19,21,23-24H2,(H,41,43,44)
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n/an/a 77.9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50373464
PNG
(CHEMBL260670)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2ncccc2cc1-c1ccccc1
Show InChI InChI=1S/C33H29N7/c1-2-7-24(8-3-1)28-21-27-9-6-18-35-31(27)36-30(28)25-13-11-23(12-14-25)22-40-19-15-26(16-20-40)32-37-33(39-38-32)29-10-4-5-17-34-29/h1-14,17-18,21,26H,15-16,19-20,22H2,(H,37,38,39)
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n/an/a 83n/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
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50373465
PNG
(CHEMBL260184)
Show SMILES O=c1ccc(c[nH]1)-c1cc([nH]n1)C1CCN(Cc2ccc(cc2)-c2nc3ncccc3cc2-c2ccccc2)CC1
Show InChI InChI=1S/C34H30N6O/c41-32-13-12-28(21-36-32)31-20-30(38-39-31)25-14-17-40(18-15-25)22-23-8-10-26(11-9-23)33-29(24-5-2-1-3-6-24)19-27-7-4-16-35-34(27)37-33/h1-13,16,19-21,25H,14-15,17-18,22H2,(H,36,41)(H,38,39)
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n/an/a 83n/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-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256716
PNG
(9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triaz...)
Show SMILES S=c1[nH]nc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C34H29N9S/c44-34-41-40-33-27-20-26(23-6-2-1-3-7-23)30(36-28(27)15-19-43(33)34)24-11-9-22(10-12-24)21-42-17-13-25(14-18-42)31-37-32(39-38-31)29-8-4-5-16-35-29/h1-12,15-16,19-20,25H,13-14,17-18,21H2,(H,41,44)(H,37,38,39)
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n/an/a 108n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt2 (unknown origin) by cell based assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50256720
PNG
(3-(chloromethyl)-9-phenyl-8-(4-((4-(5-(pyridin-2-y...)
Show SMILES ClCc1nnc2c3cc(-c4ccccc4)c(nc3ccn12)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C35H30ClN9/c36-21-31-40-43-35-28-20-27(24-6-2-1-3-7-24)32(38-29(28)15-19-45(31)35)25-11-9-23(10-12-25)22-44-17-13-26(14-18-44)33-39-34(42-41-33)30-8-4-5-16-37-30/h1-12,15-16,19-20,26H,13-14,17-18,21-22H2,(H,39,41,42)
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n/an/a 114n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin) by cell based assay


Bioorg Med Chem Lett 19: 834-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.017
BindingDB Entry DOI: 10.7270/Q2PR7VT5
More data for this
Ligand-Target Pair
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