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PubMed code 22248236

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384851
PNG
(CHEMBL2035029)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1ncc2cnccc2c1-c1ccccc1
Show InChI InChI=1S/C24H21N3/c25-24(12-4-13-24)20-9-7-18(8-10-20)23-22(17-5-2-1-3-6-17)21-11-14-26-15-19(21)16-27-23/h1-3,5-11,14-16H,4,12-13,25H2
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n/an/a 117n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384852
PNG
(CHEMBL2035028)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1ncc2ncccc2c1-c1ccccc1
Show InChI InChI=1S/C24H21N3/c25-24(13-5-14-24)19-11-9-18(10-12-19)23-22(17-6-2-1-3-7-17)20-8-4-15-26-21(20)16-27-23/h1-4,6-12,15-16H,5,13-14,25H2
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n/an/a 188n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384850
PNG
(CHEMBL2035030)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1ncc2ccncc2c1-c1ccccc1
Show InChI InChI=1S/C24H21N3/c25-24(12-4-13-24)20-9-7-18(8-10-20)23-22(17-5-2-1-3-6-17)21-16-26-14-11-19(21)15-27-23/h1-3,5-11,14-16H,4,12-13,25H2
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n/an/a 193n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384860
PNG
(CHEMBL2035020)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nn2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-23(14-6-15-23)19-12-10-18(11-13-19)22-21(17-7-2-1-3-8-17)20-9-4-5-16-26(20)25-22/h1-5,7-13,16H,6,14-15,24H2
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n/an/a 199n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384863
PNG
(CHEMBL2035017)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccccc2cc1-c1ccccc1
Show InChI InChI=1S/C25H22N2/c26-25(15-6-16-25)21-13-11-19(12-14-21)24-22(18-7-2-1-3-8-18)17-20-9-4-5-10-23(20)27-24/h1-5,7-14,17H,6,15-16,26H2
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n/an/a 243n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384853
PNG
(CHEMBL2035027)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1ncc2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C25H22N2/c26-25(15-6-16-25)21-13-11-19(12-14-21)24-23(18-7-2-1-3-8-18)22-10-5-4-9-20(22)17-27-24/h1-5,7-14,17H,6,15-16,26H2
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n/an/a 301n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384858
PNG
(CHEMBL2035022)
Show SMILES NC(=O)c1ccn2c(c(nc2c1)-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C24H22N4O/c25-23(29)18-11-14-28-20(15-18)27-21(22(28)17-5-2-1-3-6-17)16-7-9-19(10-8-16)24(26)12-4-13-24/h1-3,5-11,14-15H,4,12-13,26H2,(H2,25,29)
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n/an/a 348n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384859
PNG
(CHEMBL2035021)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccccn2c1-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-23(14-6-15-23)19-12-10-17(11-13-19)21-22(18-7-2-1-3-8-18)26-16-5-4-9-20(26)25-21/h1-5,7-13,16H,6,14-15,24H2
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n/an/a 387n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384849
PNG
(CHEMBL2035031)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1ncc2cccnc2c1-c1ccccc1
Show InChI InChI=1S/C24H21N3/c25-24(13-5-14-24)20-11-9-18(10-12-20)22-21(17-6-2-1-3-7-17)23-19(16-27-22)8-4-15-26-23/h1-4,6-12,15-16H,5,13-14,25H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384861
PNG
(CHEMBL2035019)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nn2ccnc2cc1-c1ccccc1
Show InChI InChI=1S/C22H20N4/c23-22(11-4-12-22)18-9-7-17(8-10-18)21-19(16-5-2-1-3-6-16)15-20-24-13-14-26(20)25-21/h1-3,5-10,13-15H,4,11-12,23H2
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n/an/a 528n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384856
PNG
(CHEMBL2035024)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1ncc2cccn2c1-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-23(13-5-14-23)19-11-9-17(10-12-19)21-22(18-6-2-1-3-7-18)26-15-4-8-20(26)16-25-21/h1-4,6-12,15-16H,5,13-14,24H2
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n/an/a 787n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384862
PNG
(CHEMBL2035018)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nn2cccc2cc1-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-23(13-5-14-23)19-11-9-18(10-12-19)22-21(17-6-2-1-3-7-17)16-20-8-4-15-26(20)25-22/h1-4,6-12,15-16H,5,13-14,24H2
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n/an/a 926n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384841
PNG
(CHEMBL2035040)
Show SMILES NC(=O)c1cnc(-c2ccc(cc2)C2(N)CCC2)c(c1)-c1ccccc1
Show InChI InChI=1S/C22H21N3O/c23-21(26)17-13-19(15-5-2-1-3-6-15)20(25-14-17)16-7-9-18(10-8-16)22(24)11-4-12-22/h1-3,5-10,13-14H,4,11-12,24H2,(H2,23,26)
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n/an/a 1.04E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384855
PNG
(CHEMBL2035025)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1ncc2nccn2c1-c1ccccc1
Show InChI InChI=1S/C22H20N4/c23-22(11-4-12-22)18-9-7-16(8-10-18)20-21(17-5-2-1-3-6-17)26-14-13-24-19(26)15-25-20/h1-3,5-10,13-15H,4,11-12,23H2
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n/an/a 1.26E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384848
PNG
(CHEMBL2035033)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1c(ccn2ccnc12)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-23(12-4-13-23)19-9-7-18(8-10-19)21-20(17-5-2-1-3-6-17)11-15-26-16-14-25-22(21)26/h1-3,5-11,14-16H,4,12-13,24H2
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n/an/a 1.81E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384845
PNG
(CHEMBL2035036)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1c(ccc2ncnn12)-c1ccccc1
Show InChI InChI=1S/C22H20N4/c23-22(13-4-14-22)18-9-7-17(8-10-18)21-19(16-5-2-1-3-6-16)11-12-20-24-15-25-26(20)21/h1-3,5-12,15H,4,13-14,23H2
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n/an/a 2.14E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384846
PNG
(CHEMBL2035035)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1c(ccn2ncnc12)-c1ccccc1
Show InChI InChI=1S/C22H20N4/c23-22(12-4-13-22)18-9-7-17(8-10-18)20-19(16-5-2-1-3-6-16)11-14-26-21(20)24-15-25-26/h1-3,5-11,14-15H,4,12-13,23H2
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n/an/a 2.67E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384840
PNG
(CHEMBL2035032)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1c(ccc2ccnn12)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-23(14-4-15-23)19-9-7-18(8-10-19)22-21(17-5-2-1-3-6-17)12-11-20-13-16-25-26(20)22/h1-3,5-13,16H,4,14-15,24H2
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n/an/a 2.72E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384844
PNG
(CHEMBL2035037)
Show SMILES Cn1cnc2c(-c3ccc(cc3)C3(N)CCC3)c(ccc12)-c1ccccc1
Show InChI InChI=1S/C24H23N3/c1-27-16-26-23-21(27)13-12-20(17-6-3-2-4-7-17)22(23)18-8-10-19(11-9-18)24(25)14-5-15-24/h2-4,6-13,16H,5,14-15,25H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384847
PNG
(CHEMBL2035034)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1c(ncc2nccn12)-c1ccccc1
Show InChI InChI=1S/C22H20N4/c23-22(11-4-12-22)18-9-7-17(8-10-18)21-20(16-5-2-1-3-6-16)25-15-19-24-13-14-26(19)21/h1-3,5-10,13-15H,4,11-12,23H2
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n/an/a 5.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384843
PNG
(CHEMBL2035038)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccccc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C24H21N3O/c25-24(15-6-16-24)18-13-11-17(12-14-18)22-26-21-10-5-4-9-20(21)23(28)27(22)19-7-2-1-3-8-19/h1-5,7-14H,6,15-16,25H2
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n/an/a 7.02E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384857
PNG
(CHEMBL2035023)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nn2ccc(=O)nc2cc1-c1ccccc1
Show InChI InChI=1S/C23H20N4O/c24-23(12-4-13-23)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-25-21(28)11-14-27(20)26-22/h1-3,5-11,14-15H,4,12-13,24H2
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n/an/a 8.67E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384854
PNG
(CHEMBL2035026)
Show SMILES CCn1cnc2cnc(-c3ccc(cc3)C3(N)CCC3)c(-c3ccccc3)c12
Show InChI InChI=1S/C24H24N4/c1-2-28-16-27-20-15-26-22(21(23(20)28)17-7-4-3-5-8-17)18-9-11-19(12-10-18)24(25)13-6-14-24/h3-5,7-12,15-16H,2,6,13-14,25H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.98E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50384842
PNG
(CHEMBL2035039)
Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C24H21N3O/c25-24(15-6-16-24)18-11-13-19(14-12-18)27-22(17-7-2-1-3-8-17)26-21-10-5-4-9-20(21)23(27)28/h1-5,7-14H,6,15-16,25H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.17E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%