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7 similar compounds to monomer 16228

Compile data set for download or QSAR
Wt: 239.2
BDBM16224		Wt: 239.2
BDBM16226		Wt: 239.2
BDBM16227		Wt: 315.3
BDBM16229		Wt: 335.7
BDBM16230
Wt: 425.9
BDBM50447165		Wt: 377.8
BDBM50447174

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 16224,16226,16227,16229,16230,50447165,50447174   
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
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))		BDBM16224
PNG
(6-phenylpurine compound 6 | N-methyl-1-[4-(9H-puri...)
Show SMILES CNCc1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C13H13N5/c1-14-6-9-2-4-10(5-3-9)11-12-13(17-7-15-11)18-8-16-12/h2-5,7-8,14H,6H2,1H3,(H,15,16,17,18)
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n/an/a 6.90E+3n/an/an/an/a7.222



Astex



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...

J Med Chem 50: 2289-92 (2007)


Article DOI: 10.1021/jm0700924
BindingDB Entry DOI: 10.7270/Q2M32T1C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))		BDBM16226
PNG
(2-[4-(9H-purin-6-yl)phenyl]ethan-1-amine | 2-[4-(9...)
Show SMILES NCCc1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C13H13N5/c14-6-5-9-1-3-10(4-2-9)11-12-13(17-7-15-11)18-8-16-12/h1-4,7-8H,5-6,14H2,(H,15,16,17,18)
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n/an/a 9.50E+3n/an/an/an/a7.222



Astex



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...

J Med Chem 50: 2289-92 (2007)


Article DOI: 10.1021/jm0700924
BindingDB Entry DOI: 10.7270/Q2M32T1C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))		BDBM16227
PNG
(2-[3-(9H-purin-6-yl)phenyl]ethan-1-amine | 2-[3-(9...)
Show SMILES NCCc1cccc(c1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C13H13N5/c14-5-4-9-2-1-3-10(6-9)11-12-13(17-7-15-11)18-8-16-12/h1-3,6-8H,4-5,14H2,(H,15,16,17,18)
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n/an/a 3.20E+3n/an/an/an/a7.222



Astex



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...

J Med Chem 50: 2289-92 (2007)


Article DOI: 10.1021/jm0700924
BindingDB Entry DOI: 10.7270/Q2M32T1C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))		BDBM16229
PNG
(2-phenyl-1-[4-(9H-purin-6-yl)phenyl]ethan-1-amine ...)
Show SMILES NC(Cc1ccccc1)c1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C19H17N5/c20-16(10-13-4-2-1-3-5-13)14-6-8-15(9-7-14)17-18-19(23-11-21-17)24-12-22-18/h1-9,11-12,16H,10,20H2,(H,21,22,23,24)
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n/an/a 430n/an/an/an/a7.222



Astex



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...

J Med Chem 50: 2289-92 (2007)


Article DOI: 10.1021/jm0700924
BindingDB Entry DOI: 10.7270/Q2M32T1C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))		BDBM16224
PNG
(6-phenylpurine compound 6 | N-methyl-1-[4-(9H-puri...)
Show SMILES CNCc1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C13H13N5/c1-14-6-9-2-4-10(5-3-9)11-12-13(17-7-15-11)18-8-16-12/h2-5,7-8,14H,6H2,1H3,(H,15,16,17,18)
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n/an/a 6.90E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay

J Med Chem 51: 2147-57 (2008)


Article DOI: 10.1021/jm701437d
BindingDB Entry DOI: 10.7270/Q2X63NV8
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))		BDBM16224
PNG
(6-phenylpurine compound 6 | N-methyl-1-[4-(9H-puri...)
Show SMILES CNCc1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C13H13N5/c1-14-6-9-2-4-10(5-3-9)11-12-13(17-7-15-11)18-8-16-12/h2-5,7-8,14H,6H2,1H3,(H,15,16,17,18)
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n/an/a 5.20E+3n/an/an/an/a7.222



Astex



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...

J Med Chem 50: 2289-92 (2007)


Article DOI: 10.1021/jm0700924
BindingDB Entry DOI: 10.7270/Q2M32T1C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))		BDBM16229
PNG
(2-phenyl-1-[4-(9H-purin-6-yl)phenyl]ethan-1-amine ...)
Show SMILES NC(Cc1ccccc1)c1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C19H17N5/c20-16(10-13-4-2-1-3-5-13)14-6-8-15(9-7-14)17-18-19(23-11-21-17)24-12-22-18/h1-9,11-12,16H,10,20H2,(H,21,22,23,24)
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n/an/a 610n/an/an/an/a7.222



Astex



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...

J Med Chem 50: 2289-92 (2007)


Article DOI: 10.1021/jm0700924
BindingDB Entry DOI: 10.7270/Q2M32T1C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))		BDBM50447165
PNG
(CHEMBL3113142)
Show SMILES Clc1ccc(cc1)C(NCc1ccccc1)c1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C25H20ClN5/c26-21-12-10-19(11-13-21)22(27-14-17-4-2-1-3-5-17)18-6-8-20(9-7-18)23-24-25(30-15-28-23)31-16-29-24/h1-13,15-16,22,27H,14H2,(H,28,29,30,31)
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n/an/a 740n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin) using ATP/eNOS as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluo...

Eur J Med Chem 73: 167-76 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.036
BindingDB Entry DOI: 10.7270/Q2BR8TNS
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))		BDBM50447174
PNG
(CHEMBL3113129)
Show SMILES CC(C)NC(c1ccc(Cl)cc1)c1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C21H20ClN5/c1-13(2)27-18(15-7-9-17(22)10-8-15)14-3-5-16(6-4-14)19-20-21(25-11-23-19)26-12-24-20/h3-13,18,27H,1-2H3,(H,23,24,25,26)
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n/an/a 160n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin) using ATP/eNOS as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluo...

Eur J Med Chem 73: 167-76 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.036
BindingDB Entry DOI: 10.7270/Q2BR8TNS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))		BDBM16230
PNG
((4-chlorophenyl)[4-(9H-purin-6-yl)phenyl]methanami...)
Show SMILES NC(c1ccc(Cl)cc1)c1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C18H14ClN5/c19-14-7-5-12(6-8-14)15(20)11-1-3-13(4-2-11)16-17-18(23-9-21-16)24-10-22-17/h1-10,15H,20H2,(H,21,22,23,24)
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n/an/a 9n/an/an/an/a7.222



Astex



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...

J Med Chem 50: 2289-92 (2007)


Article DOI: 10.1021/jm0700924
BindingDB Entry DOI: 10.7270/Q2M32T1C
More data for this
Ligand-Target Pair