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PubMed code 20137943

Compile data set for download or QSAR
Found 60 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))
BDBM50312752
PNG
((S)-N1-(5-(isoquinolin-6-yl)-1,3,4-thiadiazol-2-yl...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F3N5S/c22-21(23,24)17-5-1-13(2-6-17)9-18(25)12-27-20-29-28-19(30-20)15-3-4-16-11-26-8-7-14(16)10-15/h1-8,10-11,18H,9,12,25H2,(H,27,29)/t18-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312922
PNG
((S)-N1-(5-(isoquinolin-6-yl)thiazol-2-yl)-3-(4-(tr...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F3N4S/c23-22(24,25)18-5-1-14(2-6-18)9-19(26)12-28-21-29-13-20(30-21)16-3-4-17-11-27-8-7-15(17)10-16/h1-8,10-11,13,19H,9,12,26H2,(H,28,29)/t19-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312934
PNG
((S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2[nH]c(=O)oc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H17F3N4O2S/c21-20(22,23)13-4-1-11(2-5-13)7-14(24)9-25-18-26-10-17(30-18)12-3-6-15-16(8-12)29-19(28)27-15/h1-6,8,10,14H,7,9,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312931
PNG
((S)-N1-(5-(1H-indazol-5-yl)thiazol-2-yl)-3-(4-(tri...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H18F3N5S/c21-20(22,23)15-4-1-12(2-5-15)7-16(24)10-25-19-26-11-18(29-19)13-3-6-17-14(8-13)9-27-28-17/h1-6,8-9,11,16H,7,10,24H2,(H,25,26)(H,27,28)/t16-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312942
PNG
((S)-N1-(5-(3-aminoisoquinolin-6-yl)thiazol-2-yl)-3...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2cnc(N)cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F3N5S/c23-22(24,25)17-5-1-13(2-6-17)7-18(26)11-29-21-30-12-19(31-21)14-3-4-15-10-28-20(27)9-16(15)8-14/h1-6,8-10,12,18H,7,11,26H2,(H2,27,28)(H,29,30)/t18-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312922
PNG
((S)-N1-(5-(isoquinolin-6-yl)thiazol-2-yl)-3-(4-(tr...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F3N4S/c23-22(24,25)18-5-1-14(2-6-18)9-19(26)12-28-21-29-13-20(30-21)16-3-4-17-11-27-8-7-15(17)10-16/h1-8,10-11,13,19H,9,12,26H2,(H,28,29)/t19-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312942
PNG
((S)-N1-(5-(3-aminoisoquinolin-6-yl)thiazol-2-yl)-3...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2cnc(N)cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F3N5S/c23-22(24,25)17-5-1-13(2-6-17)7-18(26)11-29-21-30-12-19(31-21)14-3-4-15-10-28-20(27)9-16(15)8-14/h1-6,8-10,12,18H,7,11,26H2,(H2,27,28)(H,29,30)/t18-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312936
PNG
((S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES Cn1c2cc(ccc2[nH]c1=O)-c1cnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r|
Show InChI InChI=1S/C21H20F3N5OS/c1-29-17-9-13(4-7-16(17)28-20(29)30)18-11-27-19(31-18)26-10-15(25)8-12-2-5-14(6-3-12)21(22,23)24/h2-7,9,11,15H,8,10,25H2,1H3,(H,26,27)(H,28,30)/t15-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312924
PNG
((S)-N1-(3-(isoquinolin-6-yl)isoxazol-5-yl)-3-(4-(t...)
Show SMILES N[C@H](CNc1cc(no1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F3N4O/c23-22(24,25)18-5-1-14(2-6-18)9-19(26)13-28-21-11-20(29-30-21)16-3-4-17-12-27-8-7-15(17)10-16/h1-8,10-12,19,28H,9,13,26H2/t19-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312933
PNG
((S)-5-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)Cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N4OS/c22-21(23,24)15-4-1-12(2-5-15)7-16(25)10-26-20-27-11-18(30-20)13-3-6-17-14(8-13)9-19(29)28-17/h1-6,8,11,16H,7,9-10,25H2,(H,26,27)(H,28,29)/t16-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312935
PNG
((S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2[nH]c(=O)sc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H17F3N4OS2/c21-20(22,23)13-4-1-11(2-5-13)7-14(24)9-25-18-26-10-17(29-18)12-3-6-15-16(8-12)30-19(28)27-15/h1-6,8,10,14H,7,9,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312943
PNG
((S)-N1-(5-(quinazolin-7-yl)thiazol-2-yl)-3-(4-(tri...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2cncnc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F3N5S/c22-21(23,24)16-5-1-13(2-6-16)7-17(25)10-27-20-28-11-19(30-20)14-3-4-15-9-26-12-29-18(15)8-14/h1-6,8-9,11-12,17H,7,10,25H2,(H,27,28)/t17-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312925
PNG
((R)-4-(3-(isoquinolin-6-yl)isoxazol-5-yl)-1-(4-(tr...)
Show SMILES N[C@H](CCc1cc(no1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H20F3N3O/c24-23(25,26)19-5-1-15(2-6-19)11-20(27)7-8-21-13-22(29-30-21)17-3-4-18-14-28-10-9-16(18)12-17/h1-6,9-10,12-14,20H,7-8,11,27H2/t20-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312752
PNG
((S)-N1-(5-(isoquinolin-6-yl)-1,3,4-thiadiazol-2-yl...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F3N5S/c22-21(23,24)17-5-1-13(2-6-17)9-18(25)12-27-20-29-28-19(30-20)15-3-4-16-11-26-8-7-14(16)10-15/h1-8,10-11,18H,9,12,25H2,(H,27,29)/t18-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312932
PNG
((S)-N1-(5-(1-amino-1H-benzo[d][1,2,3]triazol-6-yl)...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2nnn(N)c2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18F3N7S/c20-19(21,22)13-4-1-11(2-5-13)7-14(23)9-25-18-26-10-17(30-18)12-3-6-15-16(8-12)29(24)28-27-15/h1-6,8,10,14H,7,9,23-24H2,(H,25,26)/t14-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312932
PNG
((S)-N1-(5-(1-amino-1H-benzo[d][1,2,3]triazol-6-yl)...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2nnn(N)c2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18F3N7S/c20-19(21,22)13-4-1-11(2-5-13)7-14(23)9-25-18-26-10-17(30-18)12-3-6-15-16(8-12)29(24)28-27-15/h1-6,8,10,14H,7,9,23-24H2,(H,25,26)/t14-/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312941
PNG
((S)-N1-(5-(isoquinolin-6-yl)-1,3,4-oxadiazol-2-yl)...)
Show SMILES N[C@H](CNc1nnc(o1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)17-5-1-13(2-6-17)9-18(25)12-27-20-29-28-19(30-20)15-3-4-16-11-26-8-7-14(16)10-15/h1-8,10-11,18H,9,12,25H2,(H,27,29)/t18-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312924
PNG
((S)-N1-(3-(isoquinolin-6-yl)isoxazol-5-yl)-3-(4-(t...)
Show SMILES N[C@H](CNc1cc(no1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F3N4O/c23-22(24,25)18-5-1-14(2-6-18)9-19(26)13-28-21-11-20(29-30-21)16-3-4-17-12-27-8-7-15(17)10-16/h1-8,10-12,19,28H,9,13,26H2/t19-/m0/s1
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n/an/a 93n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312940
PNG
((S)-5-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2C(=O)NCc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N4OS/c22-21(23,24)15-4-1-12(2-5-15)7-16(25)10-27-20-28-11-18(30-20)13-3-6-17-14(8-13)9-26-19(17)29/h1-6,8,11,16H,7,9-10,25H2,(H,26,29)(H,27,28)/t16-/m0/s1
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n/an/a 95n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50312933
PNG
((S)-5-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)Cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N4OS/c22-21(23,24)15-4-1-12(2-5-15)7-16(25)10-26-20-27-11-18(30-20)13-3-6-17-14(8-13)9-19(29)28-17/h1-6,8,11,16H,7,9-10,25H2,(H,26,27)(H,28,29)/t16-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of cKIT


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312925
PNG
((R)-4-(3-(isoquinolin-6-yl)isoxazol-5-yl)-1-(4-(tr...)
Show SMILES N[C@H](CCc1cc(no1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H20F3N3O/c24-23(25,26)19-5-1-15(2-6-19)11-20(27)7-8-21-13-22(29-30-21)17-3-4-18-14-28-10-9-16(18)12-17/h1-6,9-10,12-14,20H,7-8,11,27H2/t20-/m1/s1
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n/an/a 117n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312943
PNG
((S)-N1-(5-(quinazolin-7-yl)thiazol-2-yl)-3-(4-(tri...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2cncnc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F3N5S/c22-21(23,24)16-5-1-13(2-6-16)7-17(25)10-27-20-28-11-19(30-20)14-3-4-15-9-26-12-29-18(15)8-14/h1-6,8-9,11-12,17H,7,10,25H2,(H,27,28)/t17-/m0/s1
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n/an/a 136n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312934
PNG
((S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2[nH]c(=O)oc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H17F3N4O2S/c21-20(22,23)13-4-1-11(2-5-13)7-14(24)9-25-18-26-10-17(30-18)12-3-6-15-16(8-12)29-19(28)27-15/h1-6,8,10,14H,7,9,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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n/an/a 138n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312944
PNG
((S)-N1-(5-(cinnolin-6-yl)thiazol-2-yl)-3-(4-(trifl...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2nnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F3N5S/c22-21(23,24)16-4-1-13(2-5-16)9-17(25)11-26-20-27-12-19(30-20)15-3-6-18-14(10-15)7-8-28-29-18/h1-8,10,12,17H,9,11,25H2,(H,26,27)/t17-/m0/s1
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n/an/a 141n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312933
PNG
((S)-5-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)Cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N4OS/c22-21(23,24)15-4-1-12(2-5-15)7-16(25)10-26-20-27-11-18(30-20)13-3-6-17-14(8-13)9-19(29)28-17/h1-6,8,11,16H,7,9-10,25H2,(H,26,27)(H,28,29)/t16-/m0/s1
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n/an/a 185n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50312933
PNG
((S)-5-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)Cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N4OS/c22-21(23,24)15-4-1-12(2-5-15)7-16(25)10-26-20-27-11-18(30-20)13-3-6-17-14(8-13)9-19(29)28-17/h1-6,8,11,16H,7,9-10,25H2,(H,26,27)(H,28,29)/t16-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312752
PNG
((S)-N1-(5-(isoquinolin-6-yl)-1,3,4-thiadiazol-2-yl...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F3N5S/c22-21(23,24)17-5-1-13(2-6-17)9-18(25)12-27-20-29-28-19(30-20)15-3-4-16-11-26-8-7-14(16)10-15/h1-8,10-11,18H,9,12,25H2,(H,27,29)/t18-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312936
PNG
((S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES Cn1c2cc(ccc2[nH]c1=O)-c1cnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r|
Show InChI InChI=1S/C21H20F3N5OS/c1-29-17-9-13(4-7-16(17)28-20(29)30)18-11-27-19(31-18)26-10-15(25)8-12-2-5-14(6-3-12)21(22,23)24/h2-7,9,11,15H,8,10,25H2,1H3,(H,26,27)(H,28,30)/t15-/m0/s1
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n/an/a 276n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312935
PNG
((S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2[nH]c(=O)sc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H17F3N4OS2/c21-20(22,23)13-4-1-11(2-5-13)7-14(24)9-25-18-26-10-17(29-18)12-3-6-15-16(8-12)30-19(28)27-15/h1-6,8,10,14H,7,9,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312933
PNG
((S)-5-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)Cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N4OS/c22-21(23,24)15-4-1-12(2-5-15)7-16(25)10-26-20-27-11-18(30-20)13-3-6-17-14(8-13)9-19(29)28-17/h1-6,8,11,16H,7,9-10,25H2,(H,26,27)(H,28,29)/t16-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50312933
PNG
((S)-5-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)Cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N4OS/c22-21(23,24)15-4-1-12(2-5-15)7-16(25)10-26-20-27-11-18(30-20)13-3-6-17-14(8-13)9-19(29)28-17/h1-6,8,11,16H,7,9-10,25H2,(H,26,27)(H,28,29)/t16-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312941
PNG
((S)-N1-(5-(isoquinolin-6-yl)-1,3,4-oxadiazol-2-yl)...)
Show SMILES N[C@H](CNc1nnc(o1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F3N5O/c22-21(23,24)17-5-1-13(2-6-17)9-18(25)12-27-20-29-28-19(30-20)15-3-4-16-11-26-8-7-14(16)10-15/h1-8,10-11,18H,9,12,25H2,(H,27,29)/t18-/m0/s1
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n/an/a 348n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312923
PNG
((S)-N1-(2-(isoquinolin-6-yl)thiazol-5-yl)-3-(4-(tr...)
Show SMILES N[C@H](CNc1cnc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F3N4S/c23-22(24,25)18-5-1-14(2-6-18)9-19(26)12-28-20-13-29-21(30-20)16-3-4-17-11-27-8-7-15(17)10-16/h1-8,10-11,13,19,28H,9,12,26H2/t19-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312922
PNG
((S)-N1-(5-(isoquinolin-6-yl)thiazol-2-yl)-3-(4-(tr...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F3N4S/c23-22(24,25)18-5-1-14(2-6-18)9-19(26)12-28-21-29-13-20(30-21)16-3-4-17-11-27-8-7-15(17)10-16/h1-8,10-11,13,19H,9,12,26H2,(H,28,29)/t19-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312930
PNG
((S)-N1-(5-(3-aminobenzo[d]isoxazol-5-yl)thiazol-2-...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2onc(N)c2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H18F3N5OS/c21-20(22,23)13-4-1-11(2-5-13)7-14(24)9-26-19-27-10-17(30-19)12-3-6-16-15(8-12)18(25)28-29-16/h1-6,8,10,14H,7,9,24H2,(H2,25,28)(H,26,27)/t14-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312934
PNG
((S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2[nH]c(=O)oc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H17F3N4O2S/c21-20(22,23)13-4-1-11(2-5-13)7-14(24)9-25-18-26-10-17(30-18)12-3-6-15-16(8-12)29-19(28)27-15/h1-6,8,10,14H,7,9,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312927
PNG
((S)-N1-(5-(1H-indazol-6-yl)thiazol-2-yl)-3-(4-(tri...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2cn[nH]c2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H18F3N5S/c21-20(22,23)15-5-1-12(2-6-15)7-16(24)10-25-19-26-11-18(29-19)13-3-4-14-9-27-28-17(14)8-13/h1-6,8-9,11,16H,7,10,24H2,(H,25,26)(H,27,28)/t16-/m0/s1
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n/an/a 613n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312936
PNG
((S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES Cn1c2cc(ccc2[nH]c1=O)-c1cnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r|
Show InChI InChI=1S/C21H20F3N5OS/c1-29-17-9-13(4-7-16(17)28-20(29)30)18-11-27-19(31-18)26-10-15(25)8-12-2-5-14(6-3-12)21(22,23)24/h2-7,9,11,15H,8,10,25H2,1H3,(H,26,27)(H,28,30)/t15-/m0/s1
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n/an/a 630n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312931
PNG
((S)-N1-(5-(1H-indazol-5-yl)thiazol-2-yl)-3-(4-(tri...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H18F3N5S/c21-20(22,23)15-4-1-12(2-5-15)7-16(24)10-25-19-26-11-18(29-19)13-3-6-17-14(8-13)9-27-28-17/h1-6,8-9,11,16H,7,10,24H2,(H,25,26)(H,27,28)/t16-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312942
PNG
((S)-N1-(5-(3-aminoisoquinolin-6-yl)thiazol-2-yl)-3...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2cnc(N)cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F3N5S/c23-22(24,25)17-5-1-13(2-6-17)7-18(26)11-29-21-30-12-19(31-21)14-3-4-15-10-28-20(27)9-16(15)8-14/h1-6,8-10,12,18H,7,11,26H2,(H2,27,28)(H,29,30)/t18-/m0/s1
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n/an/a 890n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312928
PNG
((S)-N1-(5-(1-methyl-1H-indazol-6-yl)thiazol-2-yl)-...)
Show SMILES Cn1ncc2ccc(cc12)-c1cnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r|
Show InChI InChI=1S/C21H20F3N5S/c1-29-18-9-14(4-5-15(18)10-28-29)19-12-27-20(30-19)26-11-17(25)8-13-2-6-16(7-3-13)21(22,23)24/h2-7,9-10,12,17H,8,11,25H2,1H3,(H,26,27)/t17-/m0/s1
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n/an/a 895n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312935
PNG
((S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2[nH]c(=O)sc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H17F3N4OS2/c21-20(22,23)13-4-1-11(2-5-13)7-14(24)9-25-18-26-10-17(29-18)12-3-6-15-16(8-12)30-19(28)27-15/h1-6,8,10,14H,7,9,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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n/an/a 920n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312938
PNG
((S)-7-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2cn[nH]c(=O)c2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F3N5OS/c22-21(23,24)15-5-1-12(2-6-15)7-16(25)10-26-20-27-11-18(31-20)13-3-4-14-9-28-29-19(30)17(14)8-13/h1-6,8-9,11,16H,7,10,25H2,(H,26,27)(H,29,30)/t16-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312938
PNG
((S)-7-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2cn[nH]c(=O)c2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F3N5OS/c22-21(23,24)15-5-1-12(2-6-15)7-16(25)10-26-20-27-11-18(31-20)13-3-4-14-9-28-29-19(30)17(14)8-13/h1-6,8-9,11,16H,7,10,25H2,(H,26,27)(H,29,30)/t16-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312927
PNG
((S)-N1-(5-(1H-indazol-6-yl)thiazol-2-yl)-3-(4-(tri...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2cn[nH]c2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H18F3N5S/c21-20(22,23)15-5-1-12(2-6-15)7-16(24)10-25-19-26-11-18(29-19)13-3-4-14-9-27-28-17(14)8-13/h1-6,8-9,11,16H,7,10,24H2,(H,25,26)(H,27,28)/t16-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312923
PNG
((S)-N1-(2-(isoquinolin-6-yl)thiazol-5-yl)-3-(4-(tr...)
Show SMILES N[C@H](CNc1cnc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F3N4S/c23-22(24,25)18-5-1-14(2-6-18)9-19(26)12-28-20-13-29-21(30-20)16-3-4-17-11-27-8-7-15(17)10-16/h1-8,10-11,13,19,28H,9,12,26H2/t19-/m0/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312943
PNG
((S)-N1-(5-(quinazolin-7-yl)thiazol-2-yl)-3-(4-(tri...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2cncnc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F3N5S/c22-21(23,24)16-5-1-13(2-6-16)7-17(25)10-27-20-28-11-19(30-20)14-3-4-15-9-26-12-29-18(15)8-14/h1-6,8-9,11-12,17H,7,10,25H2,(H,27,28)/t17-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312926
PNG
((R)-4-(3-(isoquinolin-6-yl)-1,2,4-oxadiazol-5-yl)-...)
Show SMILES N[C@H](CCc1nc(no1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F3N4O/c23-22(24,25)18-5-1-14(2-6-18)11-19(26)7-8-20-28-21(29-30-20)16-3-4-17-13-27-10-9-15(17)12-16/h1-6,9-10,12-13,19H,7-8,11,26H2/t19-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312944
PNG
((S)-N1-(5-(cinnolin-6-yl)thiazol-2-yl)-3-(4-(trifl...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2nnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F3N5S/c22-21(23,24)16-4-1-13(2-5-16)9-17(25)11-26-20-27-12-19(30-20)15-3-6-18-14(10-15)7-8-28-29-18/h1-8,10,12,17H,9,11,25H2,(H,26,27)/t17-/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312929
PNG
((S)-N1-(5-(3-amino-1-methyl-1H-indazol-6-yl)thiazo...)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1cnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r|
Show InChI InChI=1S/C21H21F3N6S/c1-30-17-9-13(4-7-16(17)19(26)29-30)18-11-28-20(31-18)27-10-15(25)8-12-2-5-14(6-3-12)21(22,23)24/h2-7,9,11,15H,8,10,25H2,1H3,(H2,26,29)(H,27,28)/t15-/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312930
PNG
((S)-N1-(5-(3-aminobenzo[d]isoxazol-5-yl)thiazol-2-...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2onc(N)c2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H18F3N5OS/c21-20(22,23)13-4-1-11(2-5-13)7-14(24)9-26-19-27-10-17(30-19)12-3-6-16-15(8-12)18(25)28-29-16/h1-6,8,10,14H,7,9,24H2,(H2,25,28)(H,26,27)/t14-/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312929
PNG
((S)-N1-(5-(3-amino-1-methyl-1H-indazol-6-yl)thiazo...)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1cnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r|
Show InChI InChI=1S/C21H21F3N6S/c1-30-17-9-13(4-7-16(17)19(26)29-30)18-11-28-20(31-18)27-10-15(25)8-12-2-5-14(6-3-12)21(22,23)24/h2-7,9,11,15H,8,10,25H2,1H3,(H2,26,29)(H,27,28)/t15-/m0/s1
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n/an/a 2.41E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312939
PNG
((S)-4-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc(cc1)C(N)=O)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F3N4OS/c21-20(22,23)15-7-1-12(2-8-15)9-16(24)10-26-19-27-11-17(29-19)13-3-5-14(6-4-13)18(25)28/h1-8,11,16H,9-10,24H2,(H2,25,28)(H,26,27)/t16-/m0/s1
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n/an/a>3.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312937
PNG
((S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)CCc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H21F3N4OS/c23-22(24,25)16-5-1-13(2-6-16)9-17(26)11-27-21-28-12-19(31-21)15-3-7-18-14(10-15)4-8-20(30)29-18/h1-3,5-7,10,12,17H,4,8-9,11,26H2,(H,27,28)(H,29,30)/t17-/m0/s1
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n/an/a 3.32E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312925
PNG
((R)-4-(3-(isoquinolin-6-yl)isoxazol-5-yl)-1-(4-(tr...)
Show SMILES N[C@H](CCc1cc(no1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H20F3N3O/c24-23(25,26)19-5-1-15(2-6-19)11-20(27)7-8-21-13-22(29-30-21)17-3-4-18-14-28-10-9-16(18)12-17/h1-6,9-10,12-14,20H,7-8,11,27H2/t20-/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312926
PNG
((R)-4-(3-(isoquinolin-6-yl)-1,2,4-oxadiazol-5-yl)-...)
Show SMILES N[C@H](CCc1nc(no1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F3N4O/c23-22(24,25)18-5-1-14(2-6-18)11-19(26)7-8-20-28-21(29-30-20)16-3-4-17-13-27-10-9-15(17)12-16/h1-6,9-10,12-13,19H,7-8,11,26H2/t19-/m1/s1
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n/an/a 4.63E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312940
PNG
((S)-5-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2C(=O)NCc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N4OS/c22-21(23,24)15-4-1-12(2-5-15)7-16(25)10-27-20-28-11-18(30-20)13-3-6-17-14(8-13)9-26-19(17)29/h1-6,8,11,16H,7,9-10,25H2,(H,26,29)(H,27,28)/t16-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312940
PNG
((S)-5-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2C(=O)NCc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N4OS/c22-21(23,24)15-4-1-12(2-5-15)7-16(25)10-27-20-28-11-18(30-20)13-3-6-17-14(8-13)9-26-19(17)29/h1-6,8,11,16H,7,9-10,25H2,(H,26,29)(H,27,28)/t16-/m0/s1
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n/an/a>9.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312939
PNG
((S)-4-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc(cc1)C(N)=O)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F3N4OS/c21-20(22,23)15-7-1-12(2-8-15)9-16(24)10-26-19-27-11-17(29-19)13-3-5-14(6-4-13)18(25)28/h1-8,11,16H,9-10,24H2,(H2,25,28)(H,26,27)/t16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312937
PNG
((S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...)
Show SMILES N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)CCc2c1)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H21F3N4OS/c23-22(24,25)16-5-1-13(2-6-16)9-17(26)11-27-21-28-12-19(31-21)15-3-7-18-14(10-15)4-8-20(30)29-18/h1-3,5-7,10,12,17H,4,8-9,11,26H2,(H,27,28)(H,29,30)/t17-/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1559-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.067
BindingDB Entry DOI: 10.7270/Q20C4VWX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%