Found 594 hits with Last Name = 'defeo-jones' and Initial = 'd' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243218
(2-(4-((4-(5-(6-oxo-1,6-dihydropyridin-3-yl)-4H-1,2...)Show SMILES O=c1ccc(c[nH]1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C33H29N7O2/c41-29-11-10-25(19-35-29)32-37-31(38-39-32)24-13-16-40(17-14-24)20-21-6-8-23(9-7-21)30-26(22-4-2-1-3-5-22)18-27-28(36-30)12-15-34-33(27)42/h1-12,15,18-19,24H,13-14,16-17,20H2,(H,34,42)(H,35,41)(H,37,38,39) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) |
Bioorg Med Chem Lett 18: 4191-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.084
BindingDB Entry DOI: 10.7270/Q2RF5TTH |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256715
(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) | PDB
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| CHEMBL
PC cid
PC sid
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| Article
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| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50256714
(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) | PDB
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| CHEMBL
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PC sid
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| Article
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| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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PC cid
PC sid
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| Article
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| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50243780
(2-(dimethylamino)-1-(4-(6-phenyl-7-(4-((4-(5-(pyri...)Show SMILES CN(C)CC(=O)N1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C40H43N11O/c1-48(2)27-35(52)50-20-22-51(23-21-50)40-42-25-32-24-33(29-8-4-3-5-9-29)36(43-37(32)45-40)30-13-11-28(12-14-30)26-49-18-15-31(16-19-49)38-44-39(47-46-38)34-10-6-7-17-41-34/h3-14,17,24-25,31H,15-16,18-23,26-27H2,1-2H3,(H,44,46,47) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation in human by C33a cells by IPKA assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243221
(2-(4-((4-(5-(6-methoxypyridin-3-yl)-4H-1,2,4-triaz...)Show SMILES COc1ccc(cn1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C34H31N7O2/c1-43-30-12-11-26(20-36-30)33-38-32(39-40-33)25-14-17-41(18-15-25)21-22-7-9-24(10-8-22)31-27(23-5-3-2-4-6-23)19-28-29(37-31)13-16-35-34(28)42/h2-13,16,19-20,25H,14-15,17-18,21H2,1H3,(H,35,42)(H,38,39,40) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) |
Bioorg Med Chem Lett 18: 4191-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.084
BindingDB Entry DOI: 10.7270/Q2RF5TTH |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256723
(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) | PDB
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| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50243215
(3-phenyl-2-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-triaz...)Show SMILES O=C1NCCc2nc(-c3ccc(CN4CCC(CC4)c4nnc([nH]4)-c4ccccn4)cc3)c(cc12)-c1ccccc1 Show InChI InChI=1S/C33H31N7O/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/h1-12,16,20,25H,13-15,17-19,21H2,(H,35,41)(H,37,38,39) | PDB
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PC cid
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| Article
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) |
Bioorg Med Chem Lett 18: 4191-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.084
BindingDB Entry DOI: 10.7270/Q2RF5TTH |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256713
(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) | PDB
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| Article
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM24876
(2-{5-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3...)Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C33H30N8S/c1-42-33-35-20-26-19-27(23-7-3-2-4-8-23)29(36-30(26)38-33)24-12-10-22(11-13-24)21-41-17-14-25(15-18-41)31-37-32(40-39-31)28-9-5-6-16-34-28/h2-13,16,19-20,25H,14-15,17-18,21H2,1H3,(H,37,39,40) | PDB
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| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Merck Research Laboratories
| Assay Description
Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d... |
Bioorg Med Chem Lett 18: 1274-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.054
BindingDB Entry DOI: 10.7270/Q2G73C02 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243216
(CHEMBL443661 | N,N-dimethyl-2-(4-(6-phenyl-7-(4-((...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C40H45N11/c1-48(2)20-21-49-22-24-51(25-23-49)40-42-27-33-26-34(30-8-4-3-5-9-30)36(43-37(33)45-40)31-13-11-29(12-14-31)28-50-18-15-32(16-19-50)38-44-39(47-46-38)35-10-6-7-17-41-35/h3-14,17,26-27,32H,15-16,18-25,28H2,1-2H3,(H,44,46,47) | PDB
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PC sid
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| Article
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation by HTRF assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243216
(CHEMBL443661 | N,N-dimethyl-2-(4-(6-phenyl-7-(4-((...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C40H45N11/c1-48(2)20-21-49-22-24-51(25-23-49)40-42-27-33-26-34(30-8-4-3-5-9-30)36(43-37(33)45-40)31-13-11-29(12-14-31)28-50-18-15-32(16-19-50)38-44-39(47-46-38)35-10-6-7-17-41-35/h3-14,17,26-27,32H,15-16,18-25,28H2,1-2H3,(H,44,46,47) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 (unknown origin) phosphorylation by HTRF assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243216
(CHEMBL443661 | N,N-dimethyl-2-(4-(6-phenyl-7-(4-((...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C40H45N11/c1-48(2)20-21-49-22-24-51(25-23-49)40-42-27-33-26-34(30-8-4-3-5-9-30)36(43-37(33)45-40)31-13-11-29(12-14-31)28-50-18-15-32(16-19-50)38-44-39(47-46-38)35-10-6-7-17-41-35/h3-14,17,26-27,32H,15-16,18-25,28H2,1-2H3,(H,44,46,47) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) |
Bioorg Med Chem Lett 18: 4191-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.084
BindingDB Entry DOI: 10.7270/Q2RF5TTH |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243220
(3-phenyl-2-(4-((4-(5-(pyrazin-2-yl)-4H-1,2,4-triaz...)Show SMILES O=c1[nH]ccc2nc(-c3ccc(CN4CCC(CC4)c4nnc([nH]4)-c4cnccn4)cc3)c(cc12)-c1ccccc1 Show InChI InChI=1S/C32H28N8O/c41-32-26-18-25(22-4-2-1-3-5-22)29(36-27(26)10-13-35-32)23-8-6-21(7-9-23)20-40-16-11-24(12-17-40)30-37-31(39-38-30)28-19-33-14-15-34-28/h1-10,13-15,18-19,24H,11-12,16-17,20H2,(H,35,41)(H,37,38,39) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) |
Bioorg Med Chem Lett 18: 4191-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.084
BindingDB Entry DOI: 10.7270/Q2RF5TTH |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256718
(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) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50243219
(2-(4-((4-(5-(6-aminopyridin-3-yl)-4H-1,2,4-triazol...)Show SMILES Nc1ccc(cn1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C33H30N8O/c34-29-11-10-25(19-36-29)32-38-31(39-40-32)24-13-16-41(17-14-24)20-21-6-8-23(9-7-21)30-26(22-4-2-1-3-5-22)18-27-28(37-30)12-15-35-33(27)42/h1-12,15,18-19,24H,13-14,16-17,20H2,(H2,34,36)(H,35,42)(H,38,39,40) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) |
Bioorg Med Chem Lett 18: 4191-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.084
BindingDB Entry DOI: 10.7270/Q2RF5TTH |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM24883
(1-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]...)Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)n2ncc3c(N)ncnc23)cc1 Show InChI InChI=1S/C31H29N9S/c1-41-31-33-16-23-15-25(21-5-3-2-4-6-21)27(37-29(23)38-31)22-9-7-20(8-10-22)18-39-13-11-24(12-14-39)40-30-26(17-36-40)28(32)34-19-35-30/h2-10,15-17,19,24H,11-14,18H2,1H3,(H2,32,34,35) | PDB
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Merck Research Laboratories
| Assay Description
Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d... |
Bioorg Med Chem Lett 18: 1274-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.054
BindingDB Entry DOI: 10.7270/Q2G73C02 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243216
(CHEMBL443661 | N,N-dimethyl-2-(4-(6-phenyl-7-(4-((...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C40H45N11/c1-48(2)20-21-49-22-24-51(25-23-49)40-42-27-33-26-34(30-8-4-3-5-9-30)36(43-37(33)45-40)31-13-11-29(12-14-31)28-50-18-15-32(16-19-50)38-44-39(47-46-38)35-10-6-7-17-41-35/h3-14,17,26-27,32H,15-16,18-25,28H2,1-2H3,(H,44,46,47) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 (unknown origin) |
Bioorg Med Chem Lett 18: 4191-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.084
BindingDB Entry DOI: 10.7270/Q2RF5TTH |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM24875
(4-{3-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3...)Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2cc(n[nH]2)-c2ccncc2)cc1 Show InChI InChI=1S/C34H31N7S/c1-42-34-36-21-28-19-29(24-5-3-2-4-6-24)32(37-33(28)38-34)27-9-7-23(8-10-27)22-41-17-13-26(14-18-41)31-20-30(39-40-31)25-11-15-35-16-12-25/h2-12,15-16,19-21,26H,13-14,17-18,22H2,1H3,(H,39,40) | PDB
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Merck Research Laboratories
| Assay Description
Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d... |
Bioorg Med Chem Lett 18: 1274-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.054
BindingDB Entry DOI: 10.7270/Q2G73C02 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256719
(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) | PDB
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| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50243776
(2-(1H-imidazol-1-yl)-6-phenyl-7-(4-((4-(5-(pyridin...)Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2nc(ncc2cc1-c1ccccc1)-n1ccnc1 Show InChI InChI=1S/C35H30N10/c1-2-6-25(7-3-1)29-20-28-21-38-35(45-19-16-36-23-45)41-32(28)39-31(29)26-11-9-24(10-12-26)22-44-17-13-27(14-18-44)33-40-34(43-42-33)30-8-4-5-15-37-30/h1-12,15-16,19-21,23,27H,13-14,17-18,22H2,(H,40,42,43) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation by HTRF assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243777
(1-(4-(6-phenyl-7-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4...)Show SMILES CC(=O)N1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C38H38N10O/c1-26(49)47-19-21-48(22-20-47)38-40-24-31-23-32(28-7-3-2-4-8-28)34(41-35(31)43-38)29-12-10-27(11-13-29)25-46-17-14-30(15-18-46)36-42-37(45-44-36)33-9-5-6-16-39-33/h2-13,16,23-24,30H,14-15,17-22,25H2,1H3,(H,42,44,45) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation by HTRF assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256718
(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) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50243764
(2-morpholino-6-phenyl-7-(4-((4-(5-(pyridin-2-yl)-4...)Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nc2nc(ncc2cc1-c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C36H35N9O/c1-2-6-26(7-3-1)30-22-29-23-38-36(45-18-20-46-21-19-45)41-33(29)39-32(30)27-11-9-25(10-12-27)24-44-16-13-28(14-17-44)34-40-35(43-42-34)31-8-4-5-15-37-31/h1-12,15,22-23,28H,13-14,16-21,24H2,(H,40,42,43) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation by HTRF assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50373461
(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) | PDB
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| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM24880
(CHEMBL252857 | N-methyl-6-phenyl-7-[4-({4-[5-(pyri...)Show SMILES CNc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C33H31N9/c1-34-33-36-20-26-19-27(23-7-3-2-4-8-23)29(37-30(26)39-33)24-12-10-22(11-13-24)21-42-17-14-25(15-18-42)31-38-32(41-40-31)28-9-5-6-16-35-28/h2-13,16,19-20,25H,14-15,17-18,21H2,1H3,(H,38,40,41)(H,34,36,37,39) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation by HTRF assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243780
(2-(dimethylamino)-1-(4-(6-phenyl-7-(4-((4-(5-(pyri...)Show SMILES CN(C)CC(=O)N1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C40H43N11O/c1-48(2)27-35(52)50-20-22-51(23-21-50)40-42-25-32-24-33(29-8-4-3-5-9-29)36(43-37(32)45-40)30-13-11-28(12-14-30)26-49-18-15-31(16-19-49)38-44-39(47-46-38)34-10-6-7-17-41-34/h3-14,17,24-25,31H,15-16,18-23,26-27H2,1-2H3,(H,44,46,47) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation by HTRF assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243780
(2-(dimethylamino)-1-(4-(6-phenyl-7-(4-((4-(5-(pyri...)Show SMILES CN(C)CC(=O)N1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C40H43N11O/c1-48(2)27-35(52)50-20-22-51(23-21-50)40-42-25-32-24-33(29-8-4-3-5-9-29)36(43-37(32)45-40)30-13-11-28(12-14-30)26-49-18-15-31(16-19-49)38-44-39(47-46-38)34-10-6-7-17-41-34/h3-14,17,24-25,31H,15-16,18-23,26-27H2,1-2H3,(H,44,46,47) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 (unknown origin) phosphorylation by HTRF assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243783
(2-(4-(1-methylazetidin-3-yl)piperazin-1-yl)-6-phen...)Show SMILES CN1CC(C1)N1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C40H43N11/c1-48-26-33(27-48)50-19-21-51(22-20-50)40-42-24-32-23-34(29-7-3-2-4-8-29)36(43-37(32)45-40)30-12-10-28(11-13-30)25-49-17-14-31(15-18-49)38-44-39(47-46-38)35-9-5-6-16-41-35/h2-13,16,23-24,31,33H,14-15,17-22,25-27H2,1H3,(H,44,46,47) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation in human by C33a cells by IPKA assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM24880
(CHEMBL252857 | N-methyl-6-phenyl-7-[4-({4-[5-(pyri...)Show SMILES CNc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C33H31N9/c1-34-33-36-20-26-19-27(23-7-3-2-4-8-23)29(37-30(26)39-33)24-12-10-22(11-13-24)21-42-17-14-25(15-18-42)31-38-32(41-40-31)28-9-5-6-16-35-28/h2-13,16,19-20,25H,14-15,17-18,21H2,1H3,(H,38,40,41)(H,34,36,37,39) | PDB
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Merck Research Laboratories
| Assay Description
Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d... |
Bioorg Med Chem Lett 18: 1274-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.054
BindingDB Entry DOI: 10.7270/Q2G73C02 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM24879
(6-phenyl-7-[4-({4-[5-(pyridin-2-yl)-4H-1,2,4-triaz...)Show SMILES NC(=O)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C33H29N9O/c34-29(43)33-36-19-25-18-26(22-6-2-1-3-7-22)28(37-30(25)38-33)23-11-9-21(10-12-23)20-42-16-13-24(14-17-42)31-39-32(41-40-31)27-8-4-5-15-35-27/h1-12,15,18-19,24H,13-14,16-17,20H2,(H2,34,43)(H,39,40,41) | PDB
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| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Merck Research Laboratories
| Assay Description
Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d... |
Bioorg Med Chem Lett 18: 1274-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.054
BindingDB Entry DOI: 10.7270/Q2G73C02 |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256715
(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) | PDB
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| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50243778
(2-(4-(methylsulfonyl)piperazin-1-yl)-6-phenyl-7-(4...)Show SMILES CS(=O)(=O)N1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C37H38N10O2S/c1-50(48,49)47-21-19-46(20-22-47)37-39-24-30-23-31(27-7-3-2-4-8-27)33(40-34(30)42-37)28-12-10-26(11-13-28)25-45-17-14-29(15-18-45)35-41-36(44-43-35)32-9-5-6-16-38-32/h2-13,16,23-24,29H,14-15,17-22,25H2,1H3,(H,41,43,44) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation by HTRF assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243217
(3-phenyl-2-(4-((4-(5-(pyrimidin-2-yl)-4H-1,2,4-tri...)Show SMILES O=c1[nH]ccc2nc(-c3ccc(CN4CCC(CC4)c4nc(n[nH]4)-c4ncccn4)cc3)c(cc12)-c1ccccc1 Show InChI InChI=1S/C32H28N8O/c41-32-26-19-25(22-5-2-1-3-6-22)28(36-27(26)11-16-35-32)23-9-7-21(8-10-23)20-40-17-12-24(13-18-40)29-37-31(39-38-29)30-33-14-4-15-34-30/h1-11,14-16,19,24H,12-13,17-18,20H2,(H,35,41)(H,37,38,39) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) |
Bioorg Med Chem Lett 18: 4191-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.084
BindingDB Entry DOI: 10.7270/Q2RF5TTH |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243765
(1-(6-phenyl-7-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-tr...)Show SMILES OC1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C37H37N9O/c47-30-15-20-46(21-16-30)37-39-23-29-22-31(26-6-2-1-3-7-26)33(40-34(29)42-37)27-11-9-25(10-12-27)24-45-18-13-28(14-19-45)35-41-36(44-43-35)32-8-4-5-17-38-32/h1-12,17,22-23,28,30,47H,13-16,18-21,24H2,(H,41,43,44) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation by HTRF assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50373462
(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) | PDB
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| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50243769
(2-((R)-3-methylpiperazin-1-yl)-6-phenyl-7-(4-((4-(...)Show SMILES C[C@@H]1CN(CCN1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 |r| Show InChI InChI=1S/C37H38N10/c1-25-23-47(20-17-38-25)37-40-22-30-21-31(27-7-3-2-4-8-27)33(41-34(30)43-37)28-12-10-26(11-13-28)24-46-18-14-29(15-19-46)35-42-36(45-44-35)32-9-5-6-16-39-32/h2-13,16,21-22,25,29,38H,14-15,17-20,23-24H2,1H3,(H,42,44,45)/t25-/m1/s1 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation by HTRF assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243218
(2-(4-((4-(5-(6-oxo-1,6-dihydropyridin-3-yl)-4H-1,2...)Show SMILES O=c1ccc(c[nH]1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C33H29N7O2/c41-29-11-10-25(19-35-29)32-37-31(38-39-32)24-13-16-40(17-14-24)20-21-6-8-23(9-7-21)30-26(22-4-2-1-3-5-22)18-27-28(36-30)12-15-34-33(27)42/h1-12,15,18-19,24H,13-14,16-17,20H2,(H,34,42)(H,35,41)(H,37,38,39) | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 (unknown origin) |
Bioorg Med Chem Lett 18: 4191-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.084
BindingDB Entry DOI: 10.7270/Q2RF5TTH |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM24872
(5-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]...)Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc(N)s2)cc1 Show InChI InChI=1S/C28H27N7S2/c1-36-28-30-16-22-15-23(19-5-3-2-4-6-19)24(31-25(22)32-28)20-9-7-18(8-10-20)17-35-13-11-21(12-14-35)26-33-34-27(29)37-26/h2-10,15-16,21H,11-14,17H2,1H3,(H2,29,34) | PDB
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Merck Research Laboratories
| Assay Description
Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d... |
Bioorg Med Chem Lett 18: 1274-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.054
BindingDB Entry DOI: 10.7270/Q2G73C02 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256717
(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) | PDB
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| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50243771
(2-(4-methylpiperazin-1-yl)-6-phenyl-7-(4-((4-(5-(p...)Show SMILES CN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C37H38N10/c1-45-19-21-47(22-20-45)37-39-24-30-23-31(27-7-3-2-4-8-27)33(40-34(30)42-37)28-12-10-26(11-13-28)25-46-17-14-29(15-18-46)35-41-36(44-43-35)32-9-5-6-16-38-32/h2-13,16,23-24,29H,14-15,17-22,25H2,1H3,(H,41,43,44) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation by HTRF assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243783
(2-(4-(1-methylazetidin-3-yl)piperazin-1-yl)-6-phen...)Show SMILES CN1CC(C1)N1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C40H43N11/c1-48-26-33(27-48)50-19-21-51(22-20-50)40-42-24-32-23-34(29-7-3-2-4-8-29)36(43-37(32)45-40)30-12-10-28(11-13-30)25-49-17-14-31(15-18-49)38-44-39(47-46-38)35-9-5-6-16-41-35/h2-13,16,23-24,31,33H,14-15,17-22,25-27H2,1H3,(H,44,46,47) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 (unknown origin) phosphorylation by HTRF assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243782
(2-(4-(6-phenyl-7-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4...)Show SMILES OCCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C38H40N10O/c49-23-22-46-18-20-48(21-19-46)38-40-25-31-24-32(28-6-2-1-3-7-28)34(41-35(31)43-38)29-11-9-27(10-12-29)26-47-16-13-30(14-17-47)36-42-37(45-44-36)33-8-4-5-15-39-33/h1-12,15,24-25,30,49H,13-14,16-23,26H2,(H,42,44,45) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation by HTRF assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256714
(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) | PDB
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| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM24873
(1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyr...)Show SMILES CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)C(=O)Nc2ccncc2)cc1 Show InChI InChI=1S/C32H30N6OS/c1-40-32-34-20-26-19-28(23-5-3-2-4-6-23)29(36-30(26)37-32)24-9-7-22(8-10-24)21-38-17-13-25(14-18-38)31(39)35-27-11-15-33-16-12-27/h2-12,15-16,19-20,25H,13-14,17-18,21H2,1H3,(H,33,35,39) | PDB
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Merck Research Laboratories
| Assay Description
Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was d... |
Bioorg Med Chem Lett 18: 1274-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.054
BindingDB Entry DOI: 10.7270/Q2G73C02 |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256721
(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) | PDB
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| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50243775
(CHEMBL454859 | N,N-dimethyl-1-(6-phenyl-7-(4-((4-(...)Show SMILES CN(C)C1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C39H42N10/c1-47(2)32-17-22-49(23-18-32)39-41-25-31-24-33(28-8-4-3-5-9-28)35(42-36(31)44-39)29-13-11-27(12-14-29)26-48-20-15-30(16-21-48)37-43-38(46-45-37)34-10-6-7-19-40-34/h3-14,19,24-25,30,32H,15-18,20-23,26H2,1-2H3,(H,43,45,46) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation by HTRF assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243216
(CHEMBL443661 | N,N-dimethyl-2-(4-(6-phenyl-7-(4-((...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C40H45N11/c1-48(2)20-21-49-22-24-51(25-23-49)40-42-27-33-26-34(30-8-4-3-5-9-30)36(43-37(33)45-40)31-13-11-29(12-14-31)28-50-18-15-32(16-19-50)38-44-39(47-46-38)35-10-6-7-17-41-35/h3-14,17,26-27,32H,15-16,18-25,28H2,1-2H3,(H,44,46,47) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) phosphorylation in human by C33a cells by IPKA assay |
Bioorg Med Chem Lett 18: 4186-90 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.085
BindingDB Entry DOI: 10.7270/Q2F76CBC |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50256718
(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) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50243286
(CHEMBL499554 | N,N-dimethyl-2-(4-(2-phenyl-3-(4-((...)Show SMILES CN(C)CCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C40H45N11/c1-48(2)22-23-49-24-26-51(27-25-49)35-16-15-34-39(43-35)44-37(36(42-34)30-8-4-3-5-9-30)31-13-11-29(12-14-31)28-50-20-17-32(18-21-50)38-45-40(47-46-38)33-10-6-7-19-41-33/h3-16,19,32H,17-18,20-28H2,1-2H3,(H,45,46,47) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 (unknown origin) by cellular assay |
Bioorg Med Chem Lett 18: 4191-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.084
BindingDB Entry DOI: 10.7270/Q2RF5TTH |
More data for this
Ligand-Target Pair | |
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