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9 molecules are shown

Wt: 201.2
BDBM16213
Wt: 201.2
BDBM16214
Wt: 263.3
BDBM16216
Wt: 303.4
BDBM16217
Wt: 297.7
BDBM16218
Wt: 337.8
BDBM16219
Purchase
Wt: 297.7
BDBM16220
Wt: 297.7
BDBM16221
Wt: 389.8
BDBM16232

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 16213,16214,16216,16217,16218,16219,16220,16221,16232   
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 AKT


(Homo sapiens (human))
BDBM16213
PNG
(2-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethan-1-amin...)
Show SMILES Cc1[nH]ncc1-c1ccc(CCN)cc1
Show InChI InChI=1S/C12H15N3/c1-9-12(8-14-15-9)11-4-2-10(3-5-11)6-7-13/h2-5,8H,6-7,13H2,1H3,(H,14,15)
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n/an/a 5.20E+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: 2293-2296 (2007)


Article DOI: 10.1021/jm070091b
BindingDB Entry DOI: 10.7270/Q2QV3JST
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16214
PNG
(3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine | pyra...)
Show SMILES NCCCc1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C12H15N3/c13-7-1-2-10-3-5-11(6-4-10)12-8-14-15-9-12/h3-6,8-9H,1-2,7,13H2,(H,14,15)
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n/an/a 3.00E+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: 2293-2296 (2007)


Article DOI: 10.1021/jm070091b
BindingDB Entry DOI: 10.7270/Q2QV3JST
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16216
PNG
(2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethan-1-amin...)
Show SMILES NCC(c1ccccc1)c1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C17H17N3/c18-10-17(14-4-2-1-3-5-14)15-8-6-13(7-9-15)16-11-19-20-12-16/h1-9,11-12,17H,10,18H2,(H,19,20)
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n/an/a 510n/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: 2293-2296 (2007)


Article DOI: 10.1021/jm070091b
BindingDB Entry DOI: 10.7270/Q2QV3JST
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16217
PNG
(4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine |...)
Show SMILES C1CC(CCN1)(c1ccccc1)c1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C20H21N3/c1-2-4-18(5-3-1)20(10-12-21-13-11-20)19-8-6-16(7-9-19)17-14-22-23-15-17/h1-9,14-15,21H,10-13H2,(H,22,23)
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n/an/a 200n/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: 2293-2296 (2007)


Article DOI: 10.1021/jm070091b
BindingDB Entry DOI: 10.7270/Q2QV3JST
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16218
PNG
(2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]et...)
Show SMILES NCC(c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)
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n/an/a 31n/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: 2293-2296 (2007)


Article DOI: 10.1021/jm070091b
BindingDB Entry DOI: 10.7270/Q2QV3JST
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16232
PNG
(6-phenylpurine compound 20 | 6-{4-[4-(4-chlorophen...)
Show SMILES Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C22H20ClN5/c23-18-7-5-17(6-8-18)22(9-11-24-12-10-22)16-3-1-15(2-4-16)19-20-21(27-13-25-19)28-14-26-20/h1-8,13-14,24H,9-12H2,(H,25,26,27,28)
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n/an/a 20n/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
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16220
PNG
((2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phen...)
Show SMILES NC[C@@H](c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m1/s1
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n/an/a 34n/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: 2293-2296 (2007)


Article DOI: 10.1021/jm070091b
BindingDB Entry DOI: 10.7270/Q2QV3JST
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16221
PNG
((2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phen...)
Show SMILES NC[C@H](c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m0/s1
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n/an/a 280n/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: 2293-2296 (2007)


Article DOI: 10.1021/jm070091b
BindingDB Entry DOI: 10.7270/Q2QV3JST
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16232
PNG
(6-phenylpurine compound 20 | 6-{4-[4-(4-chlorophen...)
Show SMILES Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C22H20ClN5/c23-18-7-5-17(6-8-18)22(9-11-24-12-10-22)16-3-1-15(2-4-16)19-20-21(27-13-25-19)28-14-26-20/h1-8,13-14,24H,9-12H2,(H,25,26,27,28)
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n/an/a 20n/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
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16232
PNG
(6-phenylpurine compound 20 | 6-{4-[4-(4-chlorophen...)
Show SMILES Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C22H20ClN5/c23-18-7-5-17(6-8-18)22(9-11-24-12-10-22)16-3-1-15(2-4-16)19-20-21(27-13-25-19)28-14-26-20/h1-8,13-14,24H,9-12H2,(H,25,26,27,28)
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n/an/a 33n/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
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16219
PNG
(4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]pi...)
Show SMILES Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)
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n/an/a 18n/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: 2293-2296 (2007)


Article DOI: 10.1021/jm070091b
BindingDB Entry DOI: 10.7270/Q2QV3JST
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)