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Compile Data Set for Download or QSAR

Found 19 hits of ec50 for UniProtKB: P31751   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591174
PNG
(CHEMBL5192394)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(CCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:51:52:49.50.55:56,THB:51:50:56:57.52.53,53:52:49:55.54.56,53:54:49:57.51.52|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-alpha/RAC-beta/RAC-gamma serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50188913
PNG
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)
Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1
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n/an/an/an/a 160n/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Activity against AKT-mediated PRAS40 T246P phosphorylation in human DOV13 cell line


Bioorg Med Chem Lett 16: 4163-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.092
BindingDB Entry DOI: 10.7270/Q24M945C
More data for this
Ligand-Target Pair
RAC-alpha/RAC-beta/RAC-gamma serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50188913
PNG
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)
Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1
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Chiron Corporation

Curated by ChEMBL


Assay Description
Activity against AKT-mediated GSK3 S9P phosphorylation in human DOV13 cell line


Bioorg Med Chem Lett 16: 4163-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.092
BindingDB Entry DOI: 10.7270/Q24M945C
More data for this
Ligand-Target Pair
RAC-alpha/RAC-beta/RAC-gamma serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50188913
PNG
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)
Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1
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Chiron Corporation

Curated by ChEMBL


Assay Description
Activity against AKT-mediated S6RP S235/236P phosphorylation in human DOV13 cell line


Bioorg Med Chem Lett 16: 4163-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.092
BindingDB Entry DOI: 10.7270/Q24M945C
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591178
PNG
(CHEMBL5203483)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(CCOCCOCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:51:52:49.50.55:56,THB:51:50:56:57.52.53,53:52:49:55.54.56,53:54:49:57.52.51|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50131841
PNG
(CHEMBL3633143)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C29H31N7O3/c1-5-26(37)31-20-7-6-8-22(16-20)36-27(38)15-19(2)23-18-30-29(33-28(23)36)32-24-10-9-21(17-25(24)39-4)35-13-11-34(3)12-14-35/h5-10,15-18H,1,11-14H2,2-4H3,(H,31,37)(H,30,32,33)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591180
PNG
(CHEMBL5200575)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(N)c3)c2n1)N1CCN(CCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:51:52:49.50.55:56,THB:51:50:56:57.52.53,53:52:49:55.54.56,53:54:49:57.52.51|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591181
PNG
(CHEMBL5172728)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(C)=O)c3)c2n1)N1CCN(CCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:54:55:52.53.58:59,THB:54:53:59:60.55.56,56:55:52:58.57.59,56:57:52:60.55.54|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591182
PNG
(CHEMBL5187719)
Show SMILES CCC(=O)Nc1cccc(c1)-n1c2nc(Nc3ccc(cc3OC)N3CCN(CCCCCCCCCCCCNC(=O)CC45CC6CC(CC(C6)C4)C5)CC3)ncc2c(C)cc1=O |TLB:47:48:45.46.51:52,THB:47:46:52:53.48.49,49:48:45:51.50.52,49:50:45:53.48.47|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591183
PNG
(CHEMBL5170694)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C(C)C)c3)c2n1)N1CCN(CCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:56:57:54.55.60:61,THB:58:57:54:60.59.61,58:59:54:62.57.56,56:55:61:62.57.58|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591184
PNG
(CHEMBL5172973)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C4CC4)c3)c2n1)N1CCN(CCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:56:57:54.55.60:61,THB:58:57:54:60.59.61,58:59:54:62.57.56,56:55:61:62.57.58|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591185
PNG
(CHEMBL5176956)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C(C)(C)C)c3)c2n1)N1CCN(CCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:57:58:55.56.61:62,THB:59:58:55:61.60.62,59:60:55:63.58.57,57:56:62:63.58.59|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591186
PNG
(CHEMBL5204086)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3ccc(NC(=O)C=C)cc3)c2n1)N1CCN(CCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:55:56:53.54.59:60,THB:55:54:60:61.56.57,57:56:53:59.58.60,57:58:53:61.56.55|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591187
PNG
(CHEMBL5197756)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3ccc(NC(=O)C4CC4)cc3)c2n1)N1CCN(CCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:56:57:54.55.60:61,THB:58:57:54:60.59.61,58:59:54:62.57.56,56:55:61:62.57.58|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591177
PNG
(CHEMBL5172011)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(CCCCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:57:58:55.56.61:62,THB:59:58:55:61.60.62,59:60:55:63.58.57,57:56:62:63.58.59|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591176
PNG
(CHEMBL5183997)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(CCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:55:56:53.54.59:60,THB:55:54:60:61.56.57,57:56:53:59.58.60,57:58:53:61.55.56|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591175
PNG
(CHEMBL5178991)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(CCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:53:54:51.52.57:58,THB:53:52:58:59.54.55,55:54:51:57.56.58,55:56:51:59.53.54|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591173
PNG
(CHEMBL5171347)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(CCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 |TLB:49:50:47.48.53:54,THB:49:48:54:55.50.51,51:50:47:53.52.54,51:52:47:55.49.50|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50591179
PNG
(CHEMBL5181769)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(CC1)C(=O)CCCCCCCCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:58:59:56.57.62:63,THB:60:59:56:62.61.63,60:61:56:64.59.58,58:57:63:64.59.60|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01246
BindingDB Entry DOI: 10.7270/Q2FX7FG8
More data for this
Ligand-Target Pair