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Compile Data Set for Download or QSAR

Found 4921 hits Enz. Inhib. hit(s) with Target = 'RAC-alpha serine/threonine-protein kinase'   
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))
BDBM31427
PNG
(Peptidomimetic, 2)
Show SMILES CC(C)C(NC(=O)c1ccc(NC(=O)C(CCCN=C(N)N)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)CNC(C)=O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C49H68N14O8/c1-30(2)41(46(70)61-38(27-32-13-6-4-7-14-32)43(67)57-28-33-15-8-5-9-16-33)62-42(66)34-20-22-35(23-21-34)58-44(68)36(17-10-24-54-48(50)51)60-45(69)39-19-12-26-63(39)47(71)37(18-11-25-55-49(52)53)59-40(65)29-56-31(3)64/h4-9,13-16,20-23,30,36-39,41H,10-12,17-19,24-29H2,1-3H3,(H,56,64)(H,57,67)(H,58,68)(H,59,65)(H,60,69)(H,61,70)(H,62,66)(H4,50,51,54)(H4,52,53,55)
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n/an/a 2.80E+4n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31429
PNG
(Peptidomimetic, 4)
Show SMILES CC(C)C(NC(=O)c1ccc(NC(=O)C(CCCN=C(N)N)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)CNC(C)=O)c(c1)-c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C55H72N14O8/c1-34(2)47(52(76)67-44(30-36-16-7-4-8-17-36)49(73)63-32-37-18-9-5-10-19-37)68-48(72)39-25-26-41(40(31-39)38-20-11-6-12-21-38)65-50(74)42(22-13-27-60-54(56)57)66-51(75)45-24-15-29-69(45)53(77)43(23-14-28-61-55(58)59)64-46(71)33-62-35(3)70/h4-12,16-21,25-26,31,34,42-45,47H,13-15,22-24,27-30,32-33H2,1-3H3,(H,62,70)(H,63,73)(H,64,71)(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H4,56,57,60)(H4,58,59,61)
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n/an/a>5.00E+5n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31430
PNG
(Peptidomimetic, 5)
Show SMILES CC(C)C(NC(=O)c1ccc(NC(=O)C(CCCN=C(N)N)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)CNC(C)=O)cc1-c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C55H72N14O8/c1-34(2)47(52(76)67-44(30-36-16-7-4-8-17-36)49(73)63-32-37-18-9-5-10-19-37)68-48(72)40-26-25-39(31-41(40)38-20-11-6-12-21-38)64-50(74)42(22-13-27-60-54(56)57)66-51(75)45-24-15-29-69(45)53(77)43(23-14-28-61-55(58)59)65-46(71)33-62-35(3)70/h4-12,16-21,25-26,31,34,42-45,47H,13-15,22-24,27-30,32-33H2,1-3H3,(H,62,70)(H,63,73)(H,64,74)(H,65,71)(H,66,75)(H,67,76)(H,68,72)(H4,56,57,60)(H4,58,59,61)
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n/an/a 1.60E+4n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31431
PNG
(Peptidomimetic, 6)
Show SMILES CC(C)C(NC(=O)c1ccc(NC(=O)C(CCCN=C(N)N)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)CNC(C)=O)cc1-c1cccc2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C59H74N14O8/c1-36(2)51(56(80)71-48(32-38-16-6-4-7-17-38)53(77)67-34-39-18-8-5-9-19-39)72-52(76)44-28-27-41(33-45(44)43-23-12-21-40-20-10-11-22-42(40)43)68-54(78)46(24-13-29-64-58(60)61)70-55(79)49-26-15-31-73(49)57(81)47(25-14-30-65-59(62)63)69-50(75)35-66-37(3)74/h4-12,16-23,27-28,33,36,46-49,51H,13-15,24-26,29-32,34-35H2,1-3H3,(H,66,74)(H,67,77)(H,68,78)(H,69,75)(H,70,79)(H,71,80)(H,72,76)(H4,60,61,64)(H4,62,63,65)
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n/an/a 7.80E+4n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31432
PNG
(Peptidomimetic, 7)
Show SMILES CC(C)C(NC(=O)c1ccc(NC(=O)C(CCCN=C(N)N)NC(C)=O)c(c1)-c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H50N8O5/c1-27(2)37(41(55)49-36(24-29-14-7-4-8-15-29)39(53)46-26-30-16-9-5-10-17-30)50-38(52)32-21-22-34(33(25-32)31-18-11-6-12-19-31)48-40(54)35(47-28(3)51)20-13-23-45-42(43)44/h4-12,14-19,21-22,25,27,35-37H,13,20,23-24,26H2,1-3H3,(H,46,53)(H,47,51)(H,48,54)(H,49,55)(H,50,52)(H4,43,44,45)
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n/an/a 2.88E+5n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31433
PNG
(Peptidomimetic, 8)
Show SMILES CC(C)C(NC(=O)c1ccc(NC(=O)C(CCCN=C(N)N)NC(C)=O)cc1-c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C42H50N8O5/c1-27(2)37(41(55)49-36(24-29-14-7-4-8-15-29)39(53)46-26-30-16-9-5-10-17-30)50-38(52)33-22-21-32(25-34(33)31-18-11-6-12-19-31)48-40(54)35(47-28(3)51)20-13-23-45-42(43)44/h4-12,14-19,21-22,25,27,35-37H,13,20,23-24,26H2,1-3H3,(H,46,53)(H,47,51)(H,48,54)(H,49,55)(H,50,52)(H4,43,44,45)
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n/an/a 1.73E+5n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31434
PNG
(Peptidomimetic, 9)
Show SMILES CC(C)C(NC(=O)c1ccc(NC(=O)C(CCCN=C(N)N)NC(C)=O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C36H46N8O5/c1-23(2)31(35(49)43-30(21-25-11-6-4-7-12-25)33(47)40-22-26-13-8-5-9-14-26)44-32(46)27-16-18-28(19-17-27)42-34(48)29(41-24(3)45)15-10-20-39-36(37)38/h4-9,11-14,16-19,23,29-31H,10,15,20-22H2,1-3H3,(H,40,47)(H,41,45)(H,42,48)(H,43,49)(H,44,46)(H4,37,38,39)
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n/an/a 1.19E+5n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31435
PNG
(phenylaminoethyl guanidine deriv., 21aa)
Show SMILES NC(=N)NCCNc1ccc(cc1)C(=O)Nc1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C30H32N6O/c31-30(32)34-20-19-33-26-13-11-25(12-14-26)29(37)35-27-15-17-28(18-16-27)36(21-23-7-3-1-4-8-23)22-24-9-5-2-6-10-24/h1-18,33H,19-22H2,(H,35,37)(H4,31,32,34)
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n/an/a 9.60E+4n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31436
PNG
(phenylaminoethyl guanidine deriv., 21ba)
Show SMILES NC(=N)NCCNc1ccc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C36H36N6O/c37-36(38)40-23-22-39-34-21-16-30(24-33(34)29-14-8-3-9-15-29)35(43)41-31-17-19-32(20-18-31)42(25-27-10-4-1-5-11-27)26-28-12-6-2-7-13-28/h1-21,24,39H,22-23,25-26H2,(H,41,43)(H4,37,38,40)
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n/an/a 8.40E+4n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31437
PNG
(phenylaminoethyl guanidine deriv., 21bb)
Show SMILES Cc1ccc(CN(Cc2ccc(C)cc2)c2ccc(NC(=O)c3ccc(NCCNC(N)=N)c(c3)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C38H40N6O/c1-27-8-12-29(13-9-27)25-44(26-30-14-10-28(2)11-15-30)34-19-17-33(18-20-34)43-37(45)32-16-21-36(41-22-23-42-38(39)40)35(24-32)31-6-4-3-5-7-31/h3-21,24,41H,22-23,25-26H2,1-2H3,(H,43,45)(H4,39,40,42)
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n/an/a 2.15E+5n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31438
PNG
(phenylaminoethyl guanidine deriv., 21bc)
Show SMILES Cc1cccc(CN(Cc2cccc(C)c2)c2ccc(NC(=O)c3ccc(NCCNC(N)=N)c(c3)-c3ccccc3)cc2)c1
Show InChI InChI=1S/C38H40N6O/c1-27-8-6-10-29(22-27)25-44(26-30-11-7-9-28(2)23-30)34-17-15-33(16-18-34)43-37(45)32-14-19-36(41-20-21-42-38(39)40)35(24-32)31-12-4-3-5-13-31/h3-19,22-24,41H,20-21,25-26H2,1-2H3,(H,43,45)(H4,39,40,42)
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n/an/a 1.52E+5n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31439
PNG
(phenylaminoethyl guanidine deriv., 21bd)
Show SMILES NC(=N)NCCNc1ccc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)N(Cc1ccc(cc1)-c1ccccc1)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C48H44N6O/c49-48(50)52-31-30-51-46-29-24-42(32-45(46)41-14-8-3-9-15-41)47(55)53-43-25-27-44(28-26-43)54(33-35-16-20-39(21-17-35)37-10-4-1-5-11-37)34-36-18-22-40(23-19-36)38-12-6-2-7-13-38/h1-29,32,51H,30-31,33-34H2,(H,53,55)(H4,49,50,52)
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n/an/a 8.40E+4n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31440
PNG
(phenylaminoethyl guanidine deriv., 21be)
Show SMILES NC(=N)NCCNc1ccc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1
Show InChI InChI=1S/C36H34F2N6O/c37-29-11-6-25(7-12-29)23-44(24-26-8-13-30(38)14-9-26)32-17-15-31(16-18-32)43-35(45)28-10-19-34(41-20-21-42-36(39)40)33(22-28)27-4-2-1-3-5-27/h1-19,22,41H,20-21,23-24H2,(H,43,45)(H4,39,40,42)
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n/an/a 5.50E+4n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31441
PNG
(phenylaminoethyl guanidine deriv., 21bf)
Show SMILES NC(=N)NCCNc1ccc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C44H40N6O/c45-44(46)48-27-26-47-42-25-20-34(28-41(42)33-10-2-1-3-11-33)43(51)49-37-21-23-38(24-22-37)50(29-35-16-8-14-31-12-4-6-18-39(31)35)30-36-17-9-15-32-13-5-7-19-40(32)36/h1-25,28,47H,26-27,29-30H2,(H,49,51)(H4,45,46,48)
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n/an/a 4.30E+4n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31442
PNG
(phenylaminoethyl guanidine deriv., 21bg)
Show SMILES CC(C)c1ccc(CN(Cc2ccc(cc2)C(C)C)c2ccc(NC(=O)c3ccc(NCCNC(N)=N)c(c3)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C42H48N6O/c1-29(2)33-14-10-31(11-15-33)27-48(28-32-12-16-34(17-13-32)30(3)4)38-21-19-37(20-22-38)47-41(49)36-18-23-40(45-24-25-46-42(43)44)39(26-36)35-8-6-5-7-9-35/h5-23,26,29-30,45H,24-25,27-28H2,1-4H3,(H,47,49)(H4,43,44,46)
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n/an/a 2.80E+4n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31443
PNG
(phenylaminoethyl guanidine deriv., 21bh)
Show SMILES NC(=N)NCCNc1ccc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)N(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C44H40N6O/c45-44(46)48-25-24-47-42-23-18-38(28-41(42)35-10-2-1-3-11-35)43(51)49-39-19-21-40(22-20-39)50(29-31-14-16-33-8-4-6-12-36(33)26-31)30-32-15-17-34-9-5-7-13-37(34)27-32/h1-23,26-28,47H,24-25,29-30H2,(H,49,51)(H4,45,46,48)
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n/an/a 2.30E+4n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31444
PNG
(phenylaminoethyl guanidine deriv., 21bi)
Show SMILES NC(=N)NCCNc1ccc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)N(Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C38H34N8O/c39-23-27-6-10-29(11-7-27)25-46(26-30-12-8-28(24-40)9-13-30)34-17-15-33(16-18-34)45-37(47)32-14-19-36(43-20-21-44-38(41)42)35(22-32)31-4-2-1-3-5-31/h1-19,22,43H,20-21,25-26H2,(H,45,47)(H4,41,42,44)
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n/an/a 1.90E+4n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31445
PNG
(phenylaminoethyl guanidine deriv., 21cg)
Show SMILES CC(C)c1ccc(CN(Cc2ccc(cc2)C(C)C)c2ccc(NC(=O)c3ccc(NCCNC(N)=N)c(c3)-c3ccc4ccccc4c3)cc2)cc1
Show InChI InChI=1S/C46H50N6O/c1-31(2)35-13-9-33(10-14-35)29-52(30-34-11-15-36(16-12-34)32(3)4)42-22-20-41(21-23-42)51-45(53)40-19-24-44(49-25-26-50-46(47)48)43(28-40)39-18-17-37-7-5-6-8-38(37)27-39/h5-24,27-28,31-32,49H,25-26,29-30H2,1-4H3,(H,51,53)(H4,47,48,50)
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n/an/a 3.80E+4n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31446
PNG
(phenylaminoethyl guanidine deriv., 21ci)
Show SMILES NC(=N)NCCNc1ccc(cc1-c1ccc2ccccc2c1)C(=O)Nc1ccc(cc1)N(Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C42H36N8O/c43-25-29-5-9-31(10-6-29)27-50(28-32-11-7-30(26-44)8-12-32)38-18-16-37(17-19-38)49-41(51)36-15-20-40(47-21-22-48-42(45)46)39(24-36)35-14-13-33-3-1-2-4-34(33)23-35/h1-20,23-24,47H,21-22,27-28H2,(H,49,51)(H4,45,46,48)
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n/an/a 1.70E+4n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31447
PNG
(phenylaminoethyl guanidine deriv., 22aa)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(ccc1NCCNC(N)=N)C(=O)Nc1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C38H39N7O2/c1-27(46)43-32-15-12-30(13-16-32)35-24-31(14-21-36(35)41-22-23-42-38(39)40)37(47)44-33-17-19-34(20-18-33)45(25-28-8-4-2-5-9-28)26-29-10-6-3-7-11-29/h2-21,24,41H,22-23,25-26H2,1H3,(H,43,46)(H,44,47)(H4,39,40,42)
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n/an/a 2.53E+5n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM31448
PNG
(phenylaminoethyl guanidine deriv., 22ba)
Show SMILES COC(=O)c1ccc(cc1)-c1cc(ccc1NCCNC(N)=N)C(=O)Nc1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C38H38N6O3/c1-47-37(46)30-14-12-29(13-15-30)34-24-31(16-21-35(34)41-22-23-42-38(39)40)36(45)43-32-17-19-33(20-18-32)44(25-27-8-4-2-5-9-27)26-28-10-6-3-7-11-28/h2-21,24,41H,22-23,25-26H2,1H3,(H,43,45)(H4,39,40,42)
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n/an/a 1.58E+5n/an/an/an/a7.223



Yale University



Assay Description
A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product...


Bioorg Med Chem 17: 1764-71 (2009)


Article DOI: 10.1016/j.bmc.2008.09.058
BindingDB Entry DOI: 10.7270/Q2XP737X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15191
PNG
(Isoquinoline-5-sulfonic acid (2-(2-benzyloxyethyla...)
Show SMILES O=S(=O)(NCCNCCOCc1ccccc1)c1cccc2cnccc12
Show InChI InChI=1S/C20H23N3O3S/c24-27(25,20-8-4-7-18-15-22-10-9-19(18)20)23-12-11-21-13-14-26-16-17-5-2-1-3-6-17/h1-10,15,21,23H,11-14,16H2
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n/an/a 1.17E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



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...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15192
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(2-methylbenzyl...)
Show SMILES Cc1ccccc1COCCNCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H25N3O3S/c1-17-5-2-3-6-19(17)16-27-14-13-22-11-12-24-28(25,26)21-8-4-7-18-15-23-10-9-20(18)21/h2-10,15,22,24H,11-14,16H2,1H3
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n/an/a 570n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



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...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15193
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(3-methylbenzyl...)
Show SMILES Cc1cccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)c1
Show InChI InChI=1S/C21H25N3O3S/c1-17-4-2-5-18(14-17)16-27-13-12-22-10-11-24-28(25,26)21-7-3-6-19-15-23-9-8-20(19)21/h2-9,14-15,22,24H,10-13,16H2,1H3
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n/an/a 1.10E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



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...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15194
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(4-methylbenzyl...)
Show SMILES Cc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H25N3O3S/c1-17-5-7-18(8-6-17)16-27-14-13-22-11-12-24-28(25,26)21-4-2-3-19-15-23-10-9-20(19)21/h2-10,15,22,24H,11-14,16H2,1H3
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n/an/a 1.53E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



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...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15195
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(2-chlorobenzyl...)
Show SMILES Clc1ccccc1COCCNCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C20H22ClN3O3S/c21-19-6-2-1-4-17(19)15-27-13-12-22-10-11-24-28(25,26)20-7-3-5-16-14-23-9-8-18(16)20/h1-9,14,22,24H,10-13,15H2
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n/an/a 960n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



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...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15196
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(3-chlorobenzyl...)
Show SMILES Clc1cccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)c1
Show InChI InChI=1S/C20H22ClN3O3S/c21-18-5-1-3-16(13-18)15-27-12-11-22-9-10-24-28(25,26)20-6-2-4-17-14-23-8-7-19(17)20/h1-8,13-14,22,24H,9-12,15H2
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n/an/a 370n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



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...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16222
PNG
(CCT077373 | N-[2-({2-[(4-chlorobenzyl)oxy]ethyl}am...)
Show SMILES Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2
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n/an/a 260n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



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...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15198
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(3,4-dichlorobe...)
Show SMILES Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1Cl
Show InChI InChI=1S/C20H21Cl2N3O3S/c21-18-5-4-15(12-19(18)22)14-28-11-10-23-8-9-25-29(26,27)20-3-1-2-16-13-24-7-6-17(16)20/h1-7,12-13,23,25H,8-11,14H2
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n/an/a 210n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



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...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15199
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(2-methoxybenzy...)
Show SMILES COc1ccccc1COCCNCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H25N3O4S/c1-27-20-7-3-2-5-18(20)16-28-14-13-22-11-12-24-29(25,26)21-8-4-6-17-15-23-10-9-19(17)21/h2-10,15,22,24H,11-14,16H2,1H3
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n/an/a 6.60E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



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...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15200
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(3-methoxybenzy...)
Show SMILES COc1cccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)c1
Show InChI InChI=1S/C21H25N3O4S/c1-27-19-6-2-4-17(14-19)16-28-13-12-22-10-11-24-29(25,26)21-7-3-5-18-15-23-9-8-20(18)21/h2-9,14-15,22,24H,10-13,16H2,1H3
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n/an/a 2.20E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



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...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15201
PNG
(N-[2-({2-[(4-methoxyphenyl)methoxy]ethyl}amino)eth...)
Show SMILES COc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H25N3O4S/c1-27-19-7-5-17(6-8-19)16-28-14-13-22-11-12-24-29(25,26)21-4-2-3-18-15-23-10-9-20(18)21/h2-10,15,22,24H,11-14,16H2,1H3
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n/an/a 2.90E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



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...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15202
PNG
(N-(3-aminopropyl)isoquinoline-5-sulfonamide | isoq...)
Show SMILES NCCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C12H15N3O2S/c13-6-2-7-15-18(16,17)12-4-1-3-10-9-14-8-5-11(10)12/h1,3-5,8-9,15H,2,6-7,13H2
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n/an/a 4.80E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



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...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15203
PNG
(5-(piperazine-1-sulfonyl)isoquinoline | CHEMBL7577...)
Show SMILES O=S(=O)(N1CCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2
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PubMed
n/an/a 2.30E+4n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



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...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15204
PNG
(Isoquinoline-5-sulfonic acid piperidin-4-ylamide |...)
Show SMILES O=S(=O)(NC1CCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-12-4-7-15-8-5-12)14-3-1-2-11-10-16-9-6-13(11)14/h1-3,6,9-10,12,15,17H,4-5,7-8H2
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PubMed
n/an/a 8.70E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



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...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15205
PNG
(1-(isoquinoline-5-sulfonyl)piperidin-4-amine | Iso...)
Show SMILES NC1CCN(CC1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c15-12-5-8-17(9-6-12)20(18,19)14-3-1-2-11-10-16-7-4-13(11)14/h1-4,7,10,12H,5-6,8-9,15H2
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n/an/a>3.00E+4n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



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...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15131
PNG
(5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1
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n/an/a 0.5n/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 Mol Biol 367: 882-94 (2007)


Article DOI: 10.1016/j.jmb.2007.01.004
BindingDB Entry DOI: 10.7270/Q29Z934H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16222
PNG
(CCT077373 | N-[2-({2-[(4-chlorobenzyl)oxy]ethyl}am...)
Show SMILES Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2
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n/an/a 230n/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 Mol Biol 367: 882-94 (2007)


Article DOI: 10.1016/j.jmb.2007.01.004
BindingDB Entry DOI: 10.7270/Q29Z934H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16211
PNG
(5-methyl-4-phenyl-1H-pyrazole | CHEMBL228114 | pyr...)
Show SMILES Cc1[nH]ncc1-c1ccccc1
Show InChI InChI=1S/C10H10N2/c1-8-10(7-11-12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
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n/an/a 8.00E+4n/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))
BDBM16212
PNG
(1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine ...)
Show SMILES Cc1[nH]ncc1-c1ccc(CN)cc1
Show InChI InChI=1S/C11H13N3/c1-8-11(7-13-14-8)10-4-2-9(6-12)3-5-10/h2-5,7H,6,12H2,1H3,(H,13,14)
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n/an/a 1.20E+4n/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))
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))
BDBM16215
PNG
(4-phenyl-1H-pyrazole | CHEMBL390066 | JMC514968 Co...)
Show SMILES c1n[nH]cc1-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H,(H,10,11)
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n/an/a 1.35E+5n/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))
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)
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
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