Found 97 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)) | 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)) | 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)) | 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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| 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-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)) | 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)) | 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)) | 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)) | 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-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)) | 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) 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 | |
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
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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) 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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243285
(2-(4-(2-phenyl-3-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4...)Show SMILES OCCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C38H40N10O/c49-25-24-46-20-22-48(23-21-46)33-14-13-32-37(41-33)42-35(34(40-32)28-6-2-1-3-7-28)29-11-9-27(10-12-29)26-47-18-15-30(16-19-47)36-43-38(45-44-36)31-8-4-5-17-39-31/h1-14,17,30,49H,15-16,18-26H2,(H,43,44,45) | PDB
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| n/a | n/a | 13 | 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 | |
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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| 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 (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 | |
RAC-beta 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 | 16 | 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)) | BDBM50243284
(6-(4-methylpiperazin-1-yl)-2-phenyl-3-(4-((4-(5-(p...)Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C37H38N10/c1-45-21-23-47(24-22-45)32-15-14-31-36(40-32)41-34(33(39-31)27-7-3-2-4-8-27)28-12-10-26(11-13-28)25-46-19-16-29(17-20-46)35-42-37(44-43-35)30-9-5-6-18-38-30/h2-15,18,29H,16-17,19-25H2,1H3,(H,42,43,44) | PDB
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| n/a | n/a | 18 | 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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243275
(5-(5-(1-((4-(2-(4-methylpiperazin-1-yl)-6-phenylpy...)Show SMILES CN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(N)nc2)cc1 Show InChI InChI=1S/C37H39N11/c1-46-17-19-48(20-18-46)37-40-23-30-21-31(26-5-3-2-4-6-26)33(41-34(30)43-37)27-9-7-25(8-10-27)24-47-15-13-28(14-16-47)35-42-36(45-44-35)29-11-12-32(38)39-22-29/h2-12,21-23,28H,13-20,24H2,1H3,(H2,38,39)(H,42,44,45) | PDB
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| n/a | n/a | 20 | 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 | |
RAC-beta 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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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)) | 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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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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243272
(2-(4-methylpiperazin-1-yl)-6-phenyl-7-(4-((4-(5-(p...)Show SMILES CN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C36H37N11/c1-45-18-20-47(21-19-45)36-39-23-29-22-30(26-6-3-2-4-7-26)31(40-32(29)42-36)27-10-8-25(9-11-27)24-46-16-12-28(13-17-46)33-41-35(44-43-33)34-37-14-5-15-38-34/h2-11,14-15,22-23,28H,12-13,16-21,24H2,1H3,(H,41,43,44) | PDB
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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 | |
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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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 | |
RAC-beta 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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| n/a | n/a | 26 | 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)) | BDBM50243283
(CHEMBL455071 | Dimethyl-(2-{4-[7-(4-{4-[5-(1-oxy-p...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2cc[n+]([O-])cc2)cc1 Show InChI InChI=1S/C40H45N11O/c1-47(2)20-21-48-22-24-50(25-23-48)40-41-27-34-26-35(30-6-4-3-5-7-30)36(42-37(34)44-40)31-10-8-29(9-11-31)28-49-16-12-32(13-17-49)38-43-39(46-45-38)33-14-18-51(52)19-15-33/h3-11,14-15,18-19,26-27,32H,12-13,16-17,20-25,28H2,1-2H3,(H,43,45,46) | PDB
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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 | |
RAC-beta 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 | 33 | 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)) | BDBM50243274
(CHEMBL505848 | N,N-dimethyl-2-(4-(6-phenyl-7-(4-((...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C39H44N12/c1-48(2)19-20-49-21-23-51(24-22-49)39-42-26-32-25-33(29-7-4-3-5-8-29)34(43-35(32)45-39)30-11-9-28(10-12-30)27-50-17-13-31(14-18-50)36-44-38(47-46-36)37-40-15-6-16-41-37/h3-12,15-16,25-26,31H,13-14,17-24,27H2,1-2H3,(H,44,46,47) | PDB
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| n/a | n/a | 35 | 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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243277
(5-(5-(1-((4-(2-(4-(2-(dimethylamino)ethyl)piperazi...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(N)nc2)cc1 Show InChI InChI=1S/C40H46N12/c1-49(2)18-19-50-20-22-52(23-21-50)40-43-26-33-24-34(29-6-4-3-5-7-29)36(44-37(33)46-40)30-10-8-28(9-11-30)27-51-16-14-31(15-17-51)38-45-39(48-47-38)32-12-13-35(41)42-25-32/h3-13,24-26,31H,14-23,27H2,1-2H3,(H2,41,42)(H,45,47,48) | PDB
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| n/a | n/a | 37 | 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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243273
(2-(4-(6-phenyl-7-(4-((4-(5-(pyrimidin-2-yl)-4H-1,2...)Show SMILES OCCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C37H39N11O/c49-22-21-46-17-19-48(20-18-46)37-40-24-30-23-31(27-5-2-1-3-6-27)32(41-33(30)43-37)28-9-7-26(8-10-28)25-47-15-11-29(12-16-47)34-42-36(45-44-34)35-38-13-4-14-39-35/h1-10,13-14,23-24,29,49H,11-12,15-22,25H2,(H,42,44,45) | PDB
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| n/a | n/a | 37 | 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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243276
(2-(4-(7-(4-((4-(5-(6-aminopyridin-3-yl)-4H-1,2,4-t...)Show SMILES Nc1ccc(cn1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3nc(ncc3cc2-c2ccccc2)N2CCN(CCO)CC2)CC1 Show InChI InChI=1S/C38H41N11O/c39-33-11-10-30(23-40-33)37-43-36(45-46-37)29-12-14-48(15-13-29)25-26-6-8-28(9-7-26)34-32(27-4-2-1-3-5-27)22-31-24-41-38(44-35(31)42-34)49-18-16-47(17-19-49)20-21-50/h1-11,22-24,29,50H,12-21,25H2,(H2,39,40)(H,43,45,46) | PDB
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| n/a | n/a | 38 | 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 | |
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 | 39 | 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) 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243272
(2-(4-methylpiperazin-1-yl)-6-phenyl-7-(4-((4-(5-(p...)Show SMILES CN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C36H37N11/c1-45-18-20-47(21-19-45)36-39-23-29-22-30(26-6-3-2-4-7-26)31(40-32(29)42-36)27-10-8-25(9-11-27)24-46-16-12-28(13-17-46)33-41-35(44-43-33)34-37-14-5-15-38-34/h2-11,14-15,22-23,28H,12-13,16-21,24H2,1H3,(H,41,43,44) | PDB
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| n/a | n/a | 40 | 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) 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 | |
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 | 40 | 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 | |
RAC-beta 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
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| n/a | n/a | 43 | 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) 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 | |
RAC-beta 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 | 44 | 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)) | 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 | 44 | 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243285
(2-(4-(2-phenyl-3-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4...)Show SMILES OCCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C38H40N10O/c49-25-24-46-20-22-48(23-21-46)33-14-13-32-37(41-33)42-35(34(40-32)28-6-2-1-3-7-28)29-11-9-27(10-12-29)26-47-18-15-30(16-19-47)36-43-38(45-44-36)31-8-4-5-17-39-31/h1-14,17,30,49H,15-16,18-26H2,(H,43,44,45) | PDB
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| n/a | n/a | 48 | 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) 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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243287
(6-(4-methylpiperazin-1-yl)-2-phenyl-3-(4-((4-(5-(p...)Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C36H37N11/c1-45-20-22-47(23-21-45)30-13-12-29-34(40-30)41-32(31(39-29)26-6-3-2-4-7-26)27-10-8-25(9-11-27)24-46-18-14-28(15-19-46)33-42-36(44-43-33)35-37-16-5-17-38-35/h2-13,16-17,28H,14-15,18-24H2,1H3,(H,42,43,44) | PDB
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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 | |
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 | 62 | 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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243282
(2-{4-[7-(4-{4-[5-(1-Oxy-pyridin-4-yl)-4H-[1,2,4]tr...)Show SMILES OCCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2cc[n+]([O-])cc2)cc1 Show InChI InChI=1S/C38H40N10O2/c49-23-22-45-18-20-47(21-19-45)38-39-25-32-24-33(28-4-2-1-3-5-28)34(40-35(32)42-38)29-8-6-27(7-9-29)26-46-14-10-30(11-15-46)36-41-37(44-43-36)31-12-16-48(50)17-13-31/h1-9,12-13,16-17,24-25,30,49H,10-11,14-15,18-23,26H2,(H,41,43,44) | PDB
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| n/a | n/a | 67 | 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243283
(CHEMBL455071 | Dimethyl-(2-{4-[7-(4-{4-[5-(1-oxy-p...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2cc[n+]([O-])cc2)cc1 Show InChI InChI=1S/C40H45N11O/c1-47(2)20-21-48-22-24-50(25-23-48)40-41-27-34-26-35(30-6-4-3-5-7-30)36(42-37(34)44-40)31-10-8-29(9-11-31)28-49-16-12-32(13-17-49)38-43-39(46-45-38)33-14-18-51(52)19-15-33/h3-11,14-15,18-19,26-27,32H,12-13,16-17,20-25,28H2,1-2H3,(H,43,45,46) | PDB
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| n/a | n/a | 68 | 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) 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 | |
RAC-beta 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 | 69 | 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) 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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243280
(5-(5-(1-((4-(2-(4-(2-(dimethylamino)ethyl)piperazi...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(=O)[nH]c2)cc1 Show InChI InChI=1S/C40H45N11O/c1-48(2)18-19-49-20-22-51(23-21-49)40-42-26-33-24-34(29-6-4-3-5-7-29)36(43-37(33)45-40)30-10-8-28(9-11-30)27-50-16-14-31(15-17-50)38-44-39(47-46-38)32-12-13-35(52)41-25-32/h3-13,24-26,31H,14-23,27H2,1-2H3,(H,41,52)(H,44,46,47) | PDB
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| n/a | n/a | 69 | 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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243290
(5-(5-(1-((4-(6-(4-methylpiperazin-1-yl)-2-phenylpy...)Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(N)nc2)cc1 Show InChI InChI=1S/C37H39N11/c1-46-19-21-48(22-20-46)32-14-12-30-37(41-32)42-34(33(40-30)26-5-3-2-4-6-26)27-9-7-25(8-10-27)24-47-17-15-28(16-18-47)35-43-36(45-44-35)29-11-13-31(38)39-23-29/h2-14,23,28H,15-22,24H2,1H3,(H2,38,39)(H,43,44,45) | 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 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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243278
(5-(5-(1-((4-(2-(4-methylpiperazin-1-yl)-6-phenylpy...)Show SMILES CN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(=O)[nH]c2)cc1 Show InChI InChI=1S/C37H38N10O/c1-45-17-19-47(20-18-45)37-39-23-30-21-31(26-5-3-2-4-6-26)33(40-34(30)42-37)27-9-7-25(8-10-27)24-46-15-13-28(14-16-46)35-41-36(44-43-35)29-11-12-32(48)38-22-29/h2-12,21-23,28H,13-20,24H2,1H3,(H,38,48)(H,41,43,44) | PDB
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| n/a | n/a | 71 | 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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243288
(2-(4-(2-phenyl-3-(4-((4-(5-(pyrimidin-2-yl)-4H-1,2...)Show SMILES OCCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C37H39N11O/c49-24-23-46-19-21-48(22-20-46)31-12-11-30-35(41-31)42-33(32(40-30)27-5-2-1-3-6-27)28-9-7-26(8-10-28)25-47-17-13-29(14-18-47)34-43-37(45-44-34)36-38-15-4-16-39-36/h1-12,15-16,29,49H,13-14,17-25H2,(H,43,44,45) | PDB
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| n/a | n/a | 72 | 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243273
(2-(4-(6-phenyl-7-(4-((4-(5-(pyrimidin-2-yl)-4H-1,2...)Show SMILES OCCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C37H39N11O/c49-22-21-46-17-19-48(20-18-46)37-40-24-30-23-31(27-5-2-1-3-6-27)32(41-33(30)43-37)28-9-7-26(8-10-28)25-47-15-11-29(12-16-47)34-42-36(45-44-34)35-38-13-4-14-39-35/h1-10,13-14,23-24,29,49H,11-12,15-22,25H2,(H,42,44,45) | PDB
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| n/a | n/a | 80 | 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) 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243275
(5-(5-(1-((4-(2-(4-methylpiperazin-1-yl)-6-phenylpy...)Show SMILES CN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(N)nc2)cc1 Show InChI InChI=1S/C37H39N11/c1-46-17-19-48(20-18-46)37-40-23-30-21-31(26-5-3-2-4-6-26)33(41-34(30)43-37)27-9-7-25(8-10-27)24-47-15-13-28(14-16-47)35-42-36(45-44-35)29-11-12-32(38)39-22-29/h2-12,21-23,28H,13-20,24H2,1H3,(H2,38,39)(H,42,44,45) | PDB
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| n/a | n/a | 84 | 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) 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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243281
(2-(4-Methyl-piperazin-1-yl)-7-(4-{4-[5-(1-oxy-pyri...)Show SMILES CN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2cc[n+]([O-])cc2)cc1 Show InChI InChI=1S/C37H38N10O/c1-44-19-21-46(22-20-44)37-38-24-31-23-32(27-5-3-2-4-6-27)33(39-34(31)41-37)28-9-7-26(8-10-28)25-45-15-11-29(12-16-45)35-40-36(43-42-35)30-13-17-47(48)18-14-30/h2-10,13-14,17-18,23-24,29H,11-12,15-16,19-22,25H2,1H3,(H,40,42,43) | PDB
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| n/a | n/a | 88 | 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243284
(6-(4-methylpiperazin-1-yl)-2-phenyl-3-(4-((4-(5-(p...)Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C37H38N10/c1-45-21-23-47(24-22-45)32-15-14-31-36(40-32)41-34(33(39-31)27-7-3-2-4-8-27)28-12-10-26(11-13-28)25-46-19-16-29(17-20-46)35-42-37(44-43-35)30-9-5-6-18-38-30/h2-15,18,29H,16-17,19-25H2,1H3,(H,42,43,44) | PDB
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| n/a | n/a | 92 | 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) 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243280
(5-(5-(1-((4-(2-(4-(2-(dimethylamino)ethyl)piperazi...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(=O)[nH]c2)cc1 Show InChI InChI=1S/C40H45N11O/c1-48(2)18-19-49-20-22-51(23-21-49)40-42-26-33-24-34(29-6-4-3-5-7-29)36(43-37(33)45-40)30-10-8-28(9-11-30)27-50-16-14-31(15-17-50)38-44-39(47-46-38)32-12-13-35(52)41-25-32/h3-13,24-26,31H,14-23,27H2,1-2H3,(H,41,52)(H,44,46,47) | PDB
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| n/a | n/a | 98 | 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) 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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243289
(CHEMBL506827 | N,N-dimethyl-2-(4-(2-phenyl-3-(4-((...)Show SMILES CN(C)CCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C39H44N12/c1-48(2)21-22-49-23-25-51(26-24-49)33-14-13-32-37(43-33)44-35(34(42-32)29-7-4-3-5-8-29)30-11-9-28(10-12-30)27-50-19-15-31(16-20-50)36-45-39(47-46-36)38-40-17-6-18-41-38/h3-14,17-18,31H,15-16,19-27H2,1-2H3,(H,45,46,47) | PDB
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| n/a | n/a | 104 | 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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243291
(2-(4-(3-(4-((4-(5-(6-aminopyridin-3-yl)-4H-1,2,4-t...)Show SMILES Nc1ccc(cn1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3nc(ccc3nc2-c2ccccc2)N2CCN(CCO)CC2)CC1 Show InChI InChI=1S/C38H41N11O/c39-32-12-10-30(24-40-32)37-44-36(45-46-37)29-14-16-48(17-15-29)25-26-6-8-28(9-7-26)35-34(27-4-2-1-3-5-27)41-31-11-13-33(42-38(31)43-35)49-20-18-47(19-21-49)22-23-50/h1-13,24,29,50H,14-23,25H2,(H2,39,40)(H,44,45,46) | PDB
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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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243289
(CHEMBL506827 | N,N-dimethyl-2-(4-(2-phenyl-3-(4-((...)Show SMILES CN(C)CCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C39H44N12/c1-48(2)21-22-49-23-25-51(26-24-49)33-14-13-32-37(43-33)44-35(34(42-32)29-7-4-3-5-8-29)30-11-9-28(10-12-30)27-50-19-15-31(16-20-50)36-45-39(47-46-36)38-40-17-6-18-41-38/h3-14,17-18,31H,15-16,19-27H2,1-2H3,(H,45,46,47) | PDB
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| n/a | n/a | 116 | 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) 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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243279
(5-(5-(1-((4-(2-(4-(2-hydroxyethyl)piperazin-1-yl)-...)Show SMILES OCCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(=O)[nH]c2)cc1 Show InChI InChI=1S/C38H40N10O2/c49-21-20-46-16-18-48(19-17-46)38-40-24-31-22-32(27-4-2-1-3-5-27)34(41-35(31)43-38)28-8-6-26(7-9-28)25-47-14-12-29(13-15-47)36-42-37(45-44-36)30-10-11-33(50)39-23-30/h1-11,22-24,29,49H,12-21,25H2,(H,39,50)(H,42,44,45) | PDB
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| n/a | n/a | 127 | 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243274
(CHEMBL505848 | N,N-dimethyl-2-(4-(6-phenyl-7-(4-((...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C39H44N12/c1-48(2)19-20-49-21-23-51(24-22-49)39-42-26-32-25-33(29-7-4-3-5-8-29)34(43-35(32)45-39)30-11-9-28(10-12-30)27-50-17-13-31(14-18-50)36-44-38(47-46-36)37-40-15-6-16-41-37/h3-12,15-16,25-26,31H,13-14,17-24,27H2,1-2H3,(H,44,46,47) | PDB
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| n/a | n/a | 130 | 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) 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243277
(5-(5-(1-((4-(2-(4-(2-(dimethylamino)ethyl)piperazi...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(N)nc2)cc1 Show InChI InChI=1S/C40H46N12/c1-49(2)18-19-50-20-22-52(23-21-50)40-43-26-33-24-34(29-6-4-3-5-7-29)36(44-37(33)46-40)30-10-8-28(9-11-30)27-51-16-14-31(15-17-51)38-45-39(48-47-38)32-12-13-35(41)42-25-32/h3-13,24-26,31H,14-23,27H2,1-2H3,(H2,41,42)(H,45,47,48) | PDB
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| n/a | n/a | 140 | 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) 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243282
(2-{4-[7-(4-{4-[5-(1-Oxy-pyridin-4-yl)-4H-[1,2,4]tr...)Show SMILES OCCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2cc[n+]([O-])cc2)cc1 Show InChI InChI=1S/C38H40N10O2/c49-23-22-45-18-20-47(21-19-45)38-39-25-32-24-33(28-4-2-1-3-5-28)34(40-35(32)42-38)29-8-6-27(7-9-29)26-46-14-10-30(11-15-46)36-41-37(44-43-36)31-12-16-48(50)17-13-31/h1-9,12-13,16-17,24-25,30,49H,10-11,14-15,18-23,26H2,(H,41,43,44) | PDB
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| n/a | n/a | 146 | 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) 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 | |
RAC-beta 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 | 159 | 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) 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 | |
RAC-beta 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 | 165 | 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) 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243276
(2-(4-(7-(4-((4-(5-(6-aminopyridin-3-yl)-4H-1,2,4-t...)Show SMILES Nc1ccc(cn1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3nc(ncc3cc2-c2ccccc2)N2CCN(CCO)CC2)CC1 Show InChI InChI=1S/C38H41N11O/c39-33-11-10-30(23-40-33)37-43-36(45-46-37)29-12-14-48(15-13-29)25-26-6-8-28(9-7-26)34-32(27-4-2-1-3-5-27)22-31-24-41-38(44-35(31)42-34)49-18-16-47(17-19-49)20-21-50/h1-11,22-24,29,50H,12-21,25H2,(H2,39,40)(H,43,45,46) | PDB
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| n/a | n/a | 180 | 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) 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243281
(2-(4-Methyl-piperazin-1-yl)-7-(4-{4-[5-(1-oxy-pyri...)Show SMILES CN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2cc[n+]([O-])cc2)cc1 Show InChI InChI=1S/C37H38N10O/c1-44-19-21-46(22-20-44)37-38-24-31-23-32(27-5-3-2-4-6-27)33(39-34(31)41-37)28-9-7-26(8-10-28)25-45-15-11-29(12-16-45)35-40-36(43-42-35)30-13-17-47(48)18-14-30/h2-10,13-14,17-18,23-24,29H,11-12,15-16,19-22,25H2,1H3,(H,40,42,43) | PDB
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| n/a | n/a | 185 | 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) 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243278
(5-(5-(1-((4-(2-(4-methylpiperazin-1-yl)-6-phenylpy...)Show SMILES CN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(=O)[nH]c2)cc1 Show InChI InChI=1S/C37H38N10O/c1-45-17-19-47(20-18-45)37-39-23-30-21-31(26-5-3-2-4-6-26)33(40-34(30)42-37)27-9-7-25(8-10-27)24-46-15-13-28(14-16-46)35-41-36(44-43-35)29-11-12-32(48)38-22-29/h2-12,21-23,28H,13-20,24H2,1H3,(H,38,48)(H,41,43,44) | PDB
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| n/a | n/a | 188 | 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) 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243288
(2-(4-(2-phenyl-3-(4-((4-(5-(pyrimidin-2-yl)-4H-1,2...)Show SMILES OCCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C37H39N11O/c49-24-23-46-19-21-48(22-20-46)31-12-11-30-35(41-31)42-33(32(40-30)27-5-2-1-3-6-27)28-9-7-26(8-10-28)25-47-17-13-29(14-18-47)34-43-37(45-44-34)36-38-15-4-16-39-36/h1-12,15-16,29,49H,13-14,17-25H2,(H,43,44,45) | PDB
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| n/a | n/a | 190 | 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) 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243287
(6-(4-methylpiperazin-1-yl)-2-phenyl-3-(4-((4-(5-(p...)Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C36H37N11/c1-45-20-22-47(23-21-45)30-13-12-29-34(40-30)41-32(31(39-29)26-6-3-2-4-7-26)27-10-8-25(9-11-27)24-46-18-14-28(15-19-46)33-42-36(44-43-33)35-37-16-5-17-38-35/h2-13,16-17,28H,14-15,18-24H2,1H3,(H,42,43,44) | PDB
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| n/a | n/a | 192 | 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) 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 | |
RAC-beta 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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| n/a | n/a | 224 | 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) 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243290
(5-(5-(1-((4-(6-(4-methylpiperazin-1-yl)-2-phenylpy...)Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(N)nc2)cc1 Show InChI InChI=1S/C37H39N11/c1-46-19-21-48(22-20-46)32-14-12-30-37(41-32)42-34(33(40-30)26-5-3-2-4-6-26)27-9-7-25(8-10-27)24-47-17-15-28(16-18-47)35-43-36(45-44-35)29-11-13-31(38)39-23-29/h2-14,23,28H,15-22,24H2,1H3,(H2,38,39)(H,43,44,45) | PDB
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| n/a | n/a | 225 | 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) 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243291
(2-(4-(3-(4-((4-(5-(6-aminopyridin-3-yl)-4H-1,2,4-t...)Show SMILES Nc1ccc(cn1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3nc(ccc3nc2-c2ccccc2)N2CCN(CCO)CC2)CC1 Show InChI InChI=1S/C38H41N11O/c39-32-12-10-30(24-40-32)37-44-36(45-46-37)29-14-16-48(17-15-29)25-26-6-8-28(9-7-26)35-34(27-4-2-1-3-5-27)41-31-11-13-33(42-38(31)43-35)49-20-18-47(19-21-49)22-23-50/h1-13,24,29,50H,14-23,25H2,(H2,39,40)(H,44,45,46) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 230 | 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) 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 | |
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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PubMed
| n/a | n/a | 284 | 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) 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243279
(5-(5-(1-((4-(2-(4-(2-hydroxyethyl)piperazin-1-yl)-...)Show SMILES OCCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(=O)[nH]c2)cc1 Show InChI InChI=1S/C38H40N10O2/c49-21-20-46-16-18-48(19-17-46)38-40-24-31-22-32(27-4-2-1-3-5-27)34(41-35(31)43-38)28-8-6-26(7-9-28)25-47-14-12-29(13-15-47)36-42-37(45-44-36)30-10-11-33(50)39-23-30/h1-11,22-24,29,49H,12-21,25H2,(H,39,50)(H,42,44,45) | PDB
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PubMed
| n/a | n/a | 284 | 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) 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 | |
RAC-beta 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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PubMed
| n/a | n/a | 405 | 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) 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243280
(5-(5-(1-((4-(2-(4-(2-(dimethylamino)ethyl)piperazi...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(=O)[nH]c2)cc1 Show InChI InChI=1S/C40H45N11O/c1-48(2)18-19-49-20-22-51(23-21-49)40-42-26-33-24-34(29-6-4-3-5-7-29)36(43-37(33)45-40)30-10-8-28(9-11-30)27-50-16-14-31(15-17-50)38-44-39(47-46-38)32-12-13-35(52)41-25-32/h3-13,24-26,31H,14-23,27H2,1-2H3,(H,41,52)(H,44,46,47) | PDB
MMDB
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PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in embryonic kidney cells by radioligand-binding competition 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243214
(6-(4-methylpiperazin-1-yl)-3-phenyl-2-(4-((4-(5-(p...)Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccc(CN4CCC(CC4)c4nnc([nH]4)-c4ccccn4)cc3)c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C37H38N10/c1-45-21-23-47(24-22-45)32-15-14-31-36(40-32)41-34(27-7-3-2-4-8-27)33(39-31)28-12-10-26(11-13-28)25-46-19-16-29(17-20-46)35-42-37(44-43-35)30-9-5-6-18-38-30/h2-15,18,29H,16-17,19-25H2,1H3,(H,42,43,44) | PDB
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| n/a | n/a | 827 | 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) 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 | |
Potassium voltage-gated channel subfamily H member 2
(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
MMDB
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 1.22E+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 in embryonic kidney cells by radioligand-binding competition 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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50243214
(6-(4-methylpiperazin-1-yl)-3-phenyl-2-(4-((4-(5-(p...)Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccc(CN4CCC(CC4)c4nnc([nH]4)-c4ccccn4)cc3)c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C37H38N10/c1-45-21-23-47(24-22-45)32-15-14-31-36(40-32)41-34(27-7-3-2-4-8-27)33(39-31)28-12-10-26(11-13-28)25-46-19-16-29(17-20-46)35-42-37(44-43-35)30-9-5-6-18-38-30/h2-15,18,29H,16-17,19-25H2,1H3,(H,42,43,44) | PDB
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PubMed
| n/a | n/a | 1.41E+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) 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 | |
Potassium voltage-gated channel subfamily H member 2
(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
MMDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.10E+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 in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243214
(6-(4-methylpiperazin-1-yl)-3-phenyl-2-(4-((4-(5-(p...)Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccc(CN4CCC(CC4)c4nnc([nH]4)-c4ccccn4)cc3)c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C37H38N10/c1-45-21-23-47(24-22-45)32-15-14-31-36(40-32)41-34(27-7-3-2-4-8-27)33(39-31)28-12-10-26(11-13-28)25-46-19-16-29(17-20-46)35-42-37(44-43-35)30-9-5-6-18-38-30/h2-15,18,29H,16-17,19-25H2,1H3,(H,42,43,44) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.14E+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 in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(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
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+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 in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243277
(5-(5-(1-((4-(2-(4-(2-(dimethylamino)ethyl)piperazi...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(N)nc2)cc1 Show InChI InChI=1S/C40H46N12/c1-49(2)18-19-50-20-22-52(23-21-50)40-43-26-33-24-34(29-6-4-3-5-7-29)36(44-37(33)46-40)30-10-8-28(9-11-30)27-51-16-14-31(15-17-51)38-45-39(48-47-38)32-12-13-35(41)42-25-32/h3-13,24-26,31H,14-23,27H2,1-2H3,(H2,41,42)(H,45,47,48) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.50E+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 in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243290
(5-(5-(1-((4-(6-(4-methylpiperazin-1-yl)-2-phenylpy...)Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(N)nc2)cc1 Show InChI InChI=1S/C37H39N11/c1-46-19-21-48(22-20-46)32-14-12-30-37(41-32)42-34(33(40-30)26-5-3-2-4-6-26)27-9-7-25(8-10-27)24-47-17-15-28(16-18-47)35-43-36(45-44-35)29-11-13-31(38)39-23-29/h2-14,23,28H,15-22,24H2,1H3,(H2,38,39)(H,43,44,45) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+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 in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243274
(CHEMBL505848 | N,N-dimethyl-2-(4-(6-phenyl-7-(4-((...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C39H44N12/c1-48(2)19-20-49-21-23-51(24-22-49)39-42-26-32-25-33(29-7-4-3-5-8-29)34(43-35(32)45-39)30-11-9-28(10-12-30)27-50-17-13-31(14-18-50)36-44-38(47-46-36)37-40-15-6-16-41-37/h3-12,15-16,25-26,31H,13-14,17-24,27H2,1-2H3,(H,44,46,47) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80E+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 in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+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 in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243275
(5-(5-(1-((4-(2-(4-methylpiperazin-1-yl)-6-phenylpy...)Show SMILES CN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(N)nc2)cc1 Show InChI InChI=1S/C37H39N11/c1-46-17-19-48(20-18-46)37-40-23-30-21-31(26-5-3-2-4-6-26)33(41-34(30)43-37)27-9-7-25(8-10-27)24-47-15-13-28(14-16-47)35-42-36(45-44-35)29-11-12-32(38)39-22-29/h2-12,21-23,28H,13-20,24H2,1H3,(H2,38,39)(H,42,44,45) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10E+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 in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243279
(5-(5-(1-((4-(2-(4-(2-hydroxyethyl)piperazin-1-yl)-...)Show SMILES OCCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccc(=O)[nH]c2)cc1 Show InChI InChI=1S/C38H40N10O2/c49-21-20-46-16-18-48(19-17-46)38-40-24-31-22-32(27-4-2-1-3-5-27)34(41-35(31)43-38)28-8-6-26(7-9-28)25-47-14-12-29(13-15-47)36-42-37(45-44-36)30-10-11-33(50)39-23-30/h1-11,22-24,29,49H,12-21,25H2,(H,39,50)(H,42,44,45) | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.80E+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 in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243276
(2-(4-(7-(4-((4-(5-(6-aminopyridin-3-yl)-4H-1,2,4-t...)Show SMILES Nc1ccc(cn1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3nc(ncc3cc2-c2ccccc2)N2CCN(CCO)CC2)CC1 Show InChI InChI=1S/C38H41N11O/c39-33-11-10-30(23-40-33)37-43-36(45-46-37)29-12-14-48(15-13-29)25-26-6-8-28(9-7-26)34-32(27-4-2-1-3-5-27)22-31-24-41-38(44-35(31)42-34)49-18-16-47(17-19-49)20-21-50/h1-11,22-24,29,50H,12-21,25H2,(H2,39,40)(H,43,45,46) | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40E+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 in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243283
(CHEMBL455071 | Dimethyl-(2-{4-[7-(4-{4-[5-(1-oxy-p...)Show SMILES CN(C)CCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2cc[n+]([O-])cc2)cc1 Show InChI InChI=1S/C40H45N11O/c1-47(2)20-21-48-22-24-50(25-23-48)40-41-27-34-26-35(30-6-4-3-5-7-30)36(42-37(34)44-40)31-10-8-29(9-11-31)28-49-16-12-32(13-17-49)38-43-39(46-45-38)33-14-18-51(52)19-15-33/h3-11,14-15,18-19,26-27,32H,12-13,16-17,20-25,28H2,1-2H3,(H,43,45,46) | PDB
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 7.90E+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 in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243287
(6-(4-methylpiperazin-1-yl)-2-phenyl-3-(4-((4-(5-(p...)Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C36H37N11/c1-45-20-22-47(23-21-45)30-13-12-29-34(40-30)41-32(31(39-29)26-6-3-2-4-7-26)27-10-8-25(9-11-27)24-46-18-14-28(15-19-46)33-42-36(44-43-33)35-37-16-5-17-38-35/h2-13,16-17,28H,14-15,18-24H2,1H3,(H,42,43,44) | PDB
MMDB
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KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 8.30E+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 in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(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
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 8.43E+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 in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243284
(6-(4-methylpiperazin-1-yl)-2-phenyl-3-(4-((4-(5-(p...)Show SMILES CN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C37H38N10/c1-45-21-23-47(24-22-45)32-15-14-31-36(40-32)41-34(33(39-31)27-7-3-2-4-8-27)28-12-10-26(11-13-28)25-46-19-16-29(17-20-46)35-42-37(44-43-35)30-9-5-6-18-38-30/h2-15,18,29H,16-17,19-25H2,1H3,(H,42,43,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.10E+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 in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243281
(2-(4-Methyl-piperazin-1-yl)-7-(4-{4-[5-(1-oxy-pyri...)Show SMILES CN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2cc[n+]([O-])cc2)cc1 Show InChI InChI=1S/C37H38N10O/c1-44-19-21-46(22-20-44)37-38-24-31-23-32(27-5-3-2-4-6-27)33(39-34(31)41-37)28-9-7-26(8-10-28)25-45-15-11-29(12-16-45)35-40-36(43-42-35)30-13-17-47(48)18-14-30/h2-10,13-14,17-18,23-24,29H,11-12,15-16,19-22,25H2,1H3,(H,40,42,43) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80E+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 in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243288
(2-(4-(2-phenyl-3-(4-((4-(5-(pyrimidin-2-yl)-4H-1,2...)Show SMILES OCCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C37H39N11O/c49-24-23-46-19-21-48(22-20-46)31-12-11-30-35(41-31)42-33(32(40-30)27-5-2-1-3-6-27)28-9-7-26(8-10-28)25-47-17-13-29(14-18-47)34-43-37(45-44-34)36-38-15-4-16-39-36/h1-12,15-16,29,49H,13-14,17-25H2,(H,43,44,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243273
(2-(4-(6-phenyl-7-(4-((4-(5-(pyrimidin-2-yl)-4H-1,2...)Show SMILES OCCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C37H39N11O/c49-22-21-46-17-19-48(20-18-46)37-40-24-30-23-31(27-5-2-1-3-6-27)32(41-33(30)43-37)28-9-7-26(8-10-28)25-47-15-11-29(12-16-47)34-42-36(45-44-34)35-38-13-4-14-39-35/h1-10,13-14,23-24,29,49H,11-12,15-22,25H2,(H,42,44,45) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(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
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243291
(2-(4-(3-(4-((4-(5-(6-aminopyridin-3-yl)-4H-1,2,4-t...)Show SMILES Nc1ccc(cn1)-c1nnc([nH]1)C1CCN(Cc2ccc(cc2)-c2nc3nc(ccc3nc2-c2ccccc2)N2CCN(CCO)CC2)CC1 Show InChI InChI=1S/C38H41N11O/c39-32-12-10-30(24-40-32)37-44-36(45-46-37)29-14-16-48(17-15-29)25-26-6-8-28(9-7-26)35-34(27-4-2-1-3-5-27)41-31-11-13-33(42-38(31)43-35)49-20-18-47(19-21-49)22-23-50/h1-13,24,29,50H,14-23,25H2,(H2,39,40)(H,44,45,46) | PDB
MMDB
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KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243272
(2-(4-methylpiperazin-1-yl)-6-phenyl-7-(4-((4-(5-(p...)Show SMILES CN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C36H37N11/c1-45-18-20-47(21-19-45)36-39-23-29-22-30(26-6-3-2-4-7-26)31(40-32(29)42-36)27-10-8-25(9-11-27)24-46-16-12-28(13-17-46)33-41-35(44-43-33)34-37-14-5-15-38-34/h2-11,14-15,22-23,28H,12-13,16-21,24H2,1H3,(H,41,43,44) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(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
MMDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(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
MMDB
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KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243282
(2-{4-[7-(4-{4-[5-(1-Oxy-pyridin-4-yl)-4H-[1,2,4]tr...)Show SMILES OCCN1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2cc[n+]([O-])cc2)cc1 Show InChI InChI=1S/C38H40N10O2/c49-23-22-45-18-20-47(21-19-45)38-39-25-32-24-33(28-4-2-1-3-5-28)34(40-35(32)42-38)29-8-6-27(7-9-29)26-46-14-10-30(11-15-46)36-41-37(44-43-36)31-12-16-48(50)17-13-31/h1-9,12-13,16-17,24-25,30,49H,10-11,14-15,18-23,26H2,(H,41,43,44) | PDB
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243285
(2-(4-(2-phenyl-3-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4...)Show SMILES OCCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1 Show InChI InChI=1S/C38H40N10O/c49-25-24-46-20-22-48(23-21-46)33-14-13-32-37(41-33)42-35(34(40-32)28-6-2-1-3-7-28)29-11-9-27(10-12-29)26-47-18-15-30(16-19-47)36-43-38(45-44-36)31-8-4-5-17-39-31/h1-14,17,30,49H,15-16,18-26H2,(H,43,44,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in embryonic kidney cells by radioligand-binding competition 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50243289
(CHEMBL506827 | N,N-dimethyl-2-(4-(2-phenyl-3-(4-((...)Show SMILES CN(C)CCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(n[nH]2)-c2ncccn2)cc1 Show InChI InChI=1S/C39H44N12/c1-48(2)21-22-49-23-25-51(26-24-49)33-14-13-32-37(43-33)44-35(34(42-32)29-7-4-3-5-8-29)30-11-9-28(10-12-30)27-50-19-15-31(16-20-50)36-45-39(47-46-36)38-40-17-6-18-41-38/h3-14,17-18,31H,15-16,19-27H2,1-2H3,(H,45,46,47) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in embryonic kidney cells by radioligand-binding competition 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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