Found 52 hits of Enzyme Inhibition Constant Data 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)) | 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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| 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)) | 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)) | 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)) | 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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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | 21 | 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)) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/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)) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | 34 | 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-beta 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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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | 44 | 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)) | BDBM50373464
(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) | PDB
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| n/a | n/a | 45 | 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)) | BDBM15169
(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) | PDB
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| n/a | n/a | 58 | 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 | 
3D Structure (crystal) |
RAC-beta 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50373467
(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) | PDB
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| n/a | n/a | 75 | 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)) | BDBM50373464
(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) | PDB
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| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50373458
(CHEMBL261540)Show SMILES C(N1CCC(CC1)c1cc(n[nH]1)-c1ccncc1)c1ccc(cc1)-c1nc2ncccc2cc1-c1ccccc1 Show InChI InChI=1S/C34H30N6/c1-2-5-25(6-3-1)30-21-29-7-4-16-36-34(29)37-33(30)28-10-8-24(9-11-28)23-40-19-14-27(15-20-40)32-22-31(38-39-32)26-12-17-35-18-13-26/h1-13,16-18,21-22,27H,14-15,19-20,23H2,(H,38,39) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 120 | 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)) | BDBM50373465
(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) | PDB
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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)) | BDBM50373459
(CHEMBL258696)Show SMILES CCN(CC)CCNC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1 Show InChI InChI=1S/C40H43N7O2/c1-3-45(4-2)25-22-41-39(48)31-18-19-33-35(26-31)43-38(37(42-33)29-10-6-5-7-11-29)30-16-14-28(15-17-30)27-46-23-20-32(21-24-46)47-36-13-9-8-12-34(36)44-40(47)49/h5-19,26,32H,3-4,20-25,27H2,1-2H3,(H,41,48)(H,44,49) | PDB
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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)) | BDBM50373466
(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) | PDB
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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)) | BDBM50373463
(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) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 |
Bioorg Med Chem Lett 18: 3178-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM15169
(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) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 by cell-based assay |
Bioorg Med Chem Lett 18: 3178-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM15169
(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) | PDB
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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)) | 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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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)) | BDBM50373459
(CHEMBL258696)Show SMILES CCN(CC)CCNC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1 Show InChI InChI=1S/C40H43N7O2/c1-3-45(4-2)25-22-41-39(48)31-18-19-33-35(26-31)43-38(37(42-33)29-10-6-5-7-11-29)30-16-14-28(15-17-30)27-46-23-20-32(21-24-46)47-36-13-9-8-12-34(36)44-40(47)49/h5-19,26,32H,3-4,20-25,27H2,1-2H3,(H,41,48)(H,44,49) | PDB
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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)) | BDBM50373464
(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) | PDB
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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)) | BDBM50373468
(CHEMBL407733)Show SMILES C(N1CCC(CC1)c1cc(n[nH]1)-c1cccnc1)c1ccc(cc1)-c1nc2ncccc2cc1-c1ccccc1 Show InChI InChI=1S/C34H30N6/c1-2-6-25(7-3-1)30-20-28-8-5-17-36-34(28)37-33(30)27-12-10-24(11-13-27)23-40-18-14-26(15-19-40)31-21-32(39-38-31)29-9-4-16-35-22-29/h1-13,16-17,20-22,26H,14-15,18-19,23H2,(H,38,39) | PDB
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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)) | BDBM50373458
(CHEMBL261540)Show SMILES C(N1CCC(CC1)c1cc(n[nH]1)-c1ccncc1)c1ccc(cc1)-c1nc2ncccc2cc1-c1ccccc1 Show InChI InChI=1S/C34H30N6/c1-2-5-25(6-3-1)30-21-29-7-4-16-36-34(29)37-33(30)28-10-8-24(9-11-28)23-40-19-14-27(15-20-40)32-22-31(38-39-32)26-12-17-35-18-13-26/h1-13,16-18,21-22,27H,14-15,19-20,23H2,(H,38,39) | PDB
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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)) | 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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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 by cell-based assay |
Bioorg Med Chem Lett 18: 3178-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50373466
(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) | PDB
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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)) | BDBM15149
(1-(1-{[4-(3-phenylquinoxalin-2-yl)phenyl]methyl}pi...)Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccccc3nc2-c2ccccc2)CC1 Show InChI InChI=1S/C33H29N5O/c39-33-36-29-12-6-7-13-30(29)38(33)26-18-20-37(21-19-26)22-23-14-16-25(17-15-23)32-31(24-8-2-1-3-9-24)34-27-10-4-5-11-28(27)35-32/h1-17,26H,18-22H2,(H,36,39) | PDB
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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)) | BDBM50373458
(CHEMBL261540)Show SMILES C(N1CCC(CC1)c1cc(n[nH]1)-c1ccncc1)c1ccc(cc1)-c1nc2ncccc2cc1-c1ccccc1 Show InChI InChI=1S/C34H30N6/c1-2-5-25(6-3-1)30-21-29-7-4-16-36-34(29)37-33(30)28-10-8-24(9-11-28)23-40-19-14-27(15-20-40)32-22-31(38-39-32)26-12-17-35-18-13-26/h1-13,16-18,21-22,27H,14-15,19-20,23H2,(H,38,39) | PDB
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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)) | BDBM50373469
(CHEMBL429703)Show SMILES C(N1CCC(CC1)c1cc(n[nH]1)-c1ccccc1)c1ccc(cc1)-c1nc2ncccc2cc1-c1ccccc1 Show InChI InChI=1S/C35H31N5/c1-3-8-26(9-4-1)31-22-30-12-7-19-36-35(30)37-34(31)29-15-13-25(14-16-29)24-40-20-17-28(18-21-40)33-23-32(38-39-33)27-10-5-2-6-11-27/h1-16,19,22-23,28H,17-18,20-21,24H2,(H,38,39) | PDB
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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)) | BDBM50373459
(CHEMBL258696)Show SMILES CCN(CC)CCNC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1 Show InChI InChI=1S/C40H43N7O2/c1-3-45(4-2)25-22-41-39(48)31-18-19-33-35(26-31)43-38(37(42-33)29-10-6-5-7-11-29)30-16-14-28(15-17-30)27-46-23-20-32(21-24-46)47-36-13-9-8-12-34(36)44-40(47)49/h5-19,26,32H,3-4,20-25,27H2,1-2H3,(H,41,48)(H,44,49) | PDB
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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
(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) | PDB
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| n/a | n/a | 613 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 by cell-based assay |
Bioorg Med Chem Lett 18: 3178-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50373459
(CHEMBL258696)Show SMILES CCN(CC)CCNC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1 Show InChI InChI=1S/C40H43N7O2/c1-3-45(4-2)25-22-41-39(48)31-18-19-33-35(26-31)43-38(37(42-33)29-10-6-5-7-11-29)30-16-14-28(15-17-30)27-46-23-20-32(21-24-46)47-36-13-9-8-12-34(36)44-40(47)49/h5-19,26,32H,3-4,20-25,27H2,1-2H3,(H,41,48)(H,44,49) | PDB
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| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 by cell-based assay |
Bioorg Med Chem Lett 18: 3178-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50373468
(CHEMBL407733)Show SMILES C(N1CCC(CC1)c1cc(n[nH]1)-c1cccnc1)c1ccc(cc1)-c1nc2ncccc2cc1-c1ccccc1 Show InChI InChI=1S/C34H30N6/c1-2-6-25(7-3-1)30-20-28-8-5-17-36-34(28)37-33(30)27-12-10-24(11-13-27)23-40-18-14-26(15-19-40)31-21-32(39-38-31)29-9-4-16-35-22-29/h1-13,16-17,20-22,26H,14-15,18-19,23H2,(H,38,39) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM15169
(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) | PDB
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 by cell-based assay |
Bioorg Med Chem Lett 18: 3178-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50373463
(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) | PDB
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PubMed
| n/a | n/a | 981 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 by cell-based assay |
Bioorg Med Chem Lett 18: 3178-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50373466
(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) | PDB
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PubMed
| n/a | n/a | 995 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 by cell-based assay |
Bioorg Med Chem Lett 18: 3178-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50373467
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50373464
(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) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 by cell-based assay |
Bioorg Med Chem Lett 18: 3178-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50373458
(CHEMBL261540)Show SMILES C(N1CCC(CC1)c1cc(n[nH]1)-c1ccncc1)c1ccc(cc1)-c1nc2ncccc2cc1-c1ccccc1 Show InChI InChI=1S/C34H30N6/c1-2-5-25(6-3-1)30-21-29-7-4-16-36-34(29)37-33(30)28-10-8-24(9-11-28)23-40-19-14-27(15-20-40)32-22-31(38-39-32)26-12-17-35-18-13-26/h1-13,16-18,21-22,27H,14-15,19-20,23H2,(H,38,39) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 by cell-based assay |
Bioorg Med Chem Lett 18: 3178-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR |
More data for this
Ligand-Target Pair | |
RAC-beta 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
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 by cell-based assay |
Bioorg Med Chem Lett 18: 3178-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50373469
(CHEMBL429703)Show SMILES C(N1CCC(CC1)c1cc(n[nH]1)-c1ccccc1)c1ccc(cc1)-c1nc2ncccc2cc1-c1ccccc1 Show InChI InChI=1S/C35H31N5/c1-3-8-26(9-4-1)31-22-30-12-7-19-36-35(30)37-34(31)29-15-13-25(14-16-29)24-40-20-17-28(18-21-40)33-23-32(38-39-33)27-10-5-2-6-11-27/h1-16,19,22-23,28H,17-18,20-21,24H2,(H,38,39) | PDB
UniProtKB/SwissProt
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| CHEMBL
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PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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-gamma 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
MMDB
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PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt3 |
Bioorg Med Chem Lett 18: 3178-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM15149
(1-(1-{[4-(3-phenylquinoxalin-2-yl)phenyl]methyl}pi...)Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccccc3nc2-c2ccccc2)CC1 Show InChI InChI=1S/C33H29N5O/c39-33-36-29-12-6-7-13-30(29)38(33)26-18-20-37(21-19-26)22-23-14-16-25(17-15-23)32-31(24-8-2-1-3-9-24)34-27-10-4-5-11-28(27)35-32/h1-17,26H,18-22H2,(H,36,39) | PDB
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| PC cid
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PubMed
| n/a | n/a | 2.06E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | 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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UniChem
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PubMed
| n/a | n/a | 2.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt2 by cell-based assay |
Bioorg Med Chem Lett 18: 3178-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(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
MMDB
Reactome pathway
KEGG
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CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 5.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
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-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50373467
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt3 |
Bioorg Med Chem Lett 18: 3178-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM15149
(1-(1-{[4-(3-phenylquinoxalin-2-yl)phenyl]methyl}pi...)Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccccc3nc2-c2ccccc2)CC1 Show InChI InChI=1S/C33H29N5O/c39-33-36-29-12-6-7-13-30(29)38(33)26-18-20-37(21-19-26)22-23-14-16-25(17-15-23)32-31(24-8-2-1-3-9-24)34-27-10-4-5-11-28(27)35-32/h1-17,26H,18-22H2,(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Akt3 |
Bioorg Med Chem Lett 18: 3178-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.074
BindingDB Entry DOI: 10.7270/Q20V8DNR |
More data for this
Ligand-Target Pair | |
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