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PubMed code 15985434

Compile data set for download or QSAR
Found 18 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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 200n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 350n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 400n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 1.10E+4n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 2.20E+4n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM10909
PNG
((2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9...)
Show SMILES CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1
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n/an/a 4.50E+4n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM10909
PNG
((2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9...)
Show SMILES CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1
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n/an/a 4.50E+4n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM10910
PNG
((2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-...)
Show SMILES CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1
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n/an/a 1.00E+5n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
Casein Kinase I


(Rattus norvegicus (rat))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 1.00E+5n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM10910
PNG
((2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-...)
Show SMILES CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1
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n/an/a 2.00E+5n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM10910
PNG
((2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-...)
Show SMILES CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1
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n/an/a 2.50E+5n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10909
PNG
((2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9...)
Show SMILES CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1
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n/an/a 2.50E+5n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10910
PNG
((2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-...)
Show SMILES CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1
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n/an/a 2.50E+5n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM10910
PNG
((2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-...)
Show SMILES CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1
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n/an/a 7.00E+5n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
Casein Kinase I


(Rattus norvegicus (rat))
BDBM10910
PNG
((2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-...)
Show SMILES CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1
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n/an/a>1.00E+6n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
Casein Kinase I


(Rattus norvegicus (rat))
BDBM10909
PNG
((2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9...)
Show SMILES CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1
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n/an/a>1.00E+6n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM10909
PNG
((2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9...)
Show SMILES CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1
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n/an/a>1.00E+6n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM10909
PNG
((2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9...)
Show SMILES CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1
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n/an/a>1.00E+6n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%