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104 similar compounds to monomer 50113739

Compile data set for download or QSAR
Wt: 366.4
BDBM7514
Wt: 366.4
BDBM7515
Wt: 416.5
BDBM7516
Wt: 382.5
BDBM7518
Wt: 402.4
BDBM7519
Wt: 402.4
BDBM7520
Wt: 368.4
BDBM7523
Wt: 340.4
BDBM7524
Wt: 340.4
BDBM7525
Wt: 352.4
BDBM7527
Wt: 354.4
BDBM7533
Purchase
Wt: 354.4
BDBM7585
Purchase
Wt: 340.4
BDBM10633
Purchase
Wt: 340.4
BDBM10634
Wt: 384.4
BDBM10635
Displayed 1 to 15 (of 104 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 521 hits for monomerid = 7514,7515,7516,7518,7519,7520,7523,7524,7525,7527,7533,7585,10633,10634,10635   
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
CDK2/Cyclin A/Cyclin A1


(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
Show InChI InChI=1/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-/s2
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250n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


J Med Chem 56: 660-70 (2013)


Article DOI: 10.1021/jm301495v
BindingDB Entry DOI: 10.7270/Q28G8N18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(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
Show InChI InChI=1/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-/s2
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250n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 9 (CDK9)


(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
Show InChI InChI=1/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-/s2
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790n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


J Med Chem 56: 660-70 (2013)


Article DOI: 10.1021/jm301495v
BindingDB Entry DOI: 10.7270/Q28G8N18
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(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
Show InChI InChI=1/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-/s2
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3.10E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Casein kinase I delta


(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
Show InChI InChI=1/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-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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-/s2
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n/an/a 930n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 (unknown origin) after 30 mins by SDS-PAGE analysis


Bioorg Med Chem Lett 23: 5150-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.020
BindingDB Entry DOI: 10.7270/Q27M09CN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent 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
Show InChI InChI=1/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-/s2
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n/an/a 2.42E+3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK1


J Med Chem 56: 6234-47 (2013)


Article DOI: 10.1021/jm4006884
BindingDB Entry DOI: 10.7270/Q2FX7BVZ
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
Show InChI InChI=1/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-/s2
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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
BindingDB Entry DOI: 10.7270/Q2Q81B9F
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
Show InChI InChI=1/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-/s2
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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
BindingDB Entry DOI: 10.7270/Q2Q81B9F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Show InChI InChI=1/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-/s2
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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
BindingDB Entry DOI: 10.7270/Q2Q81B9F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Show InChI InChI=1/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-/s2
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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
BindingDB Entry DOI: 10.7270/Q2Q81B9F
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
Show InChI InChI=1/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-/s2
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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
BindingDB Entry DOI: 10.7270/Q2Q81B9F
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
Show InChI InChI=1/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-/s2
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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
BindingDB Entry DOI: 10.7270/Q2Q81B9F
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7514
PNG
(2,6,9-Trisubstituted purine deriv. 9 | [(2S)-1-[6-...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@H]1CO
Show InChI InChI=1/C20H26N6O/c1-14(2)26-13-22-17-18(21-11-15-7-4-3-5-8-15)23-20(24-19(17)26)25-10-6-9-16(25)12-27/h3-5,7-8,13-14,16,27H,6,9-12H2,1-2H3,(H,21,23,24)/t16-/s2
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n/an/a 2.10E+3n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7515
PNG
(2,6,9-Trisubstituted purine deriv. 10 | [(2R)-1-[6...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@@H]1CO
Show InChI InChI=1/C20H26N6O/c1-14(2)26-13-22-17-18(21-11-15-7-4-3-5-8-15)23-20(24-19(17)26)25-10-6-9-16(25)12-27/h3-5,7-8,13-14,16,27H,6,9-12H2,1-2H3,(H,21,23,24)/t16-/s2
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n/an/a 650n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7516
PNG
(2,6,9-Trisubstituted purine deriv. 11 | 2-{benzyl[...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N(CCO)Cc1ccccc1
Show InChI InChI=1S/C24H28N6O/c1-18(2)30-17-26-21-22(25-15-19-9-5-3-6-10-19)27-24(28-23(21)30)29(13-14-31)16-20-11-7-4-8-12-20/h3-12,17-18,31H,13-16H2,1-2H3,(H,25,27,28)
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n/an/a 2.50E+3n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7518
PNG
(2,6,9-Trisubstituted purine deriv. 13 | 2-{[6-(ben...)
Show SMILES CCCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C21H30N6O/c1-4-5-11-17(13-28)24-21-25-19(22-12-16-9-7-6-8-10-16)18-20(26-21)27(14-23-18)15(2)3/h6-10,14-15,17,28H,4-5,11-13H2,1-3H3,(H2,22,24,25,26)
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n/an/a 2.50E+3n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7514
PNG
(2,6,9-Trisubstituted purine deriv. 9 | [(2S)-1-[6-...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@H]1CO
Show InChI InChI=1/C20H26N6O/c1-14(2)26-13-22-17-18(21-11-15-7-4-3-5-8-15)23-20(24-19(17)26)25-10-6-9-16(25)12-27/h3-5,7-8,13-14,16,27H,6,9-12H2,1-2H3,(H,21,23,24)/t16-/s2
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n/an/a 2.40E+3n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7515
PNG
(2,6,9-Trisubstituted purine deriv. 10 | [(2R)-1-[6...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@@H]1CO
Show InChI InChI=1/C20H26N6O/c1-14(2)26-13-22-17-18(21-11-15-7-4-3-5-8-15)23-20(24-19(17)26)25-10-6-9-16(25)12-27/h3-5,7-8,13-14,16,27H,6,9-12H2,1-2H3,(H,21,23,24)/t16-/s2
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n/an/a 1.30E+3n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7516
PNG
(2,6,9-Trisubstituted purine deriv. 11 | 2-{benzyl[...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N(CCO)Cc1ccccc1
Show InChI InChI=1S/C24H28N6O/c1-18(2)30-17-26-21-22(25-15-19-9-5-3-6-10-19)27-24(28-23(21)30)29(13-14-31)16-20-11-7-4-8-12-20/h3-12,17-18,31H,13-16H2,1-2H3,(H,25,27,28)
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n/an/a 8.00E+3n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7518
PNG
(2,6,9-Trisubstituted purine deriv. 13 | 2-{[6-(ben...)
Show SMILES CCCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C21H30N6O/c1-4-5-11-17(13-28)24-21-25-19(22-12-16-9-7-6-8-10-16)18-20(26-21)27(14-23-18)15(2)3/h6-10,14-15,17,28H,4-5,11-13H2,1-3H3,(H2,22,24,25,26)
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n/an/a 2.30E+3n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7519
PNG
((2S)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)c3ccccc3)nc12
Show InChI InChI=1/C23H26N6O/c1-16(2)29-15-25-20-21(24-13-17-9-5-3-6-10-17)27-23(28-22(20)29)26-19(14-30)18-11-7-4-8-12-18/h3-12,15-16,19,30H,13-14H2,1-2H3,(H2,24,26,27,28)/t19-/s2
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n/an/a 4.30E+3n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7520
PNG
((2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)c3ccccc3)nc12
Show InChI InChI=1/C23H26N6O/c1-16(2)29-15-25-20-21(24-13-17-9-5-3-6-10-17)27-23(28-22(20)29)26-19(14-30)18-11-7-4-8-12-18/h3-12,15-16,19,30H,13-14H2,1-2H3,(H2,24,26,27,28)/t19-/s2
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n/an/a 1.00E+3n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7523
PNG
(2,6,9-Trisubstituted purine deriv. 18 | 2-{[6-(ben...)
Show SMILES CCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C20H28N6O/c1-4-8-16(12-27)23-20-24-18(21-11-15-9-6-5-7-10-15)17-19(25-20)26(13-22-17)14(2)3/h5-7,9-10,13-14,16,27H,4,8,11-12H2,1-3H3,(H2,21,23,24,25)
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n/an/a 900n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7524
PNG
((2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-...)
Show SMILES C[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C18H24N6O/c1-12(2)24-11-20-15-16(19-9-14-7-5-4-6-8-14)22-18(23-17(15)24)21-13(3)10-25/h4-8,11-13,25H,9-10H2,1-3H3,(H2,19,21,22,23)/t13-/s2
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n/an/a 850n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7525
PNG
((2S)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-...)
Show SMILES C[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C18H24N6O/c1-12(2)24-11-20-15-16(19-9-14-7-5-4-6-8-14)22-18(23-17(15)24)21-13(3)10-25/h4-8,11-13,25H,9-10H2,1-3H3,(H2,19,21,22,23)/t13-/s2
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n/an/a 1.00E+3n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7519
PNG
((2S)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)c3ccccc3)nc12
Show InChI InChI=1/C23H26N6O/c1-16(2)29-15-25-20-21(24-13-17-9-5-3-6-10-17)27-23(28-22(20)29)26-19(14-30)18-11-7-4-8-12-18/h3-12,15-16,19,30H,13-14H2,1-2H3,(H2,24,26,27,28)/t19-/s2
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n/an/a 3.50E+3n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7520
PNG
((2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)c3ccccc3)nc12
Show InChI InChI=1/C23H26N6O/c1-16(2)29-15-25-20-21(24-13-17-9-5-3-6-10-17)27-23(28-22(20)29)26-19(14-30)18-11-7-4-8-12-18/h3-12,15-16,19,30H,13-14H2,1-2H3,(H2,24,26,27,28)/t19-/s2
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n/an/a 6.00E+3n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7523
PNG
(2,6,9-Trisubstituted purine deriv. 18 | 2-{[6-(ben...)
Show SMILES CCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C20H28N6O/c1-4-8-16(12-27)23-20-24-18(21-11-15-9-6-5-7-10-15)17-19(25-20)26(13-22-17)14(2)3/h5-7,9-10,13-14,16,27H,4,8,11-12H2,1-3H3,(H2,21,23,24,25)
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n/an/a 400n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7524
PNG
((2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-...)
Show SMILES C[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C18H24N6O/c1-12(2)24-11-20-15-16(19-9-14-7-5-4-6-8-14)22-18(23-17(15)24)21-13(3)10-25/h4-8,11-13,25H,9-10H2,1-3H3,(H2,19,21,22,23)/t13-/s2
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n/an/a 700n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7525
PNG
((2S)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-...)
Show SMILES C[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C18H24N6O/c1-12(2)24-11-20-15-16(19-9-14-7-5-4-6-8-14)22-18(23-17(15)24)21-13(3)10-25/h4-8,11-13,25H,9-10H2,1-3H3,(H2,19,21,22,23)/t13-/s2
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n/an/a 3.50E+4n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7527
PNG
(1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]p...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC(O)C1
Show InChI InChI=1/C19H24N6O/c1-13(2)25-12-21-16-17(20-10-14-6-4-3-5-7-14)22-19(23-18(16)25)24-9-8-15(26)11-24/h3-7,12-13,15,26H,8-11H2,1-2H3,(H,20,22,23)
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n/an/a 4.20E+4n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7585
PNG
((R,S)-Roscovitine | 2,6,9-Trisubstituted purine de...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/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)
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n/an/a 650n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
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
Show InChI InChI=1/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-/s2
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n/an/a 450n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7527
PNG
(1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]p...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC(O)C1
Show InChI InChI=1/C19H24N6O/c1-13(2)25-12-21-16-17(20-10-14-6-4-3-5-7-14)22-19(23-18(16)25)24-9-8-15(26)11-24/h3-7,12-13,15,26H,8-11H2,1-2H3,(H,20,22,23)
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n/an/a 2.40E+3n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7585
PNG
((R,S)-Roscovitine | 2,6,9-Trisubstituted purine de...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/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)
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n/an/a 160n/an/an/an/an/a30



Institut Curie



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. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Show InChI InChI=1/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-/s2
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n/an/a 450n/an/an/an/a7.230



Institut Curie



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. 32...


Bioorg Med Chem Lett 8: 793-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00097-3
BindingDB Entry DOI: 10.7270/Q2TQ5ZRN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7585
PNG
((R,S)-Roscovitine | 2,6,9-Trisubstituted purine de...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/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)
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n/an/a 650n/an/an/an/a7.230



Institut Curie



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. 32...


J Med Chem 43: 1282-92 (2000)


Article DOI: 10.1021/jm9911130
BindingDB Entry DOI: 10.7270/Q2K935R2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM10633
PNG
(3-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc12
Show InChI InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)
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n/an/a 2.50E+3n/an/an/an/a7.430



Palacky University



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 Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM10634
PNG
((2R)-1-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-...)
Show SMILES C[C@@H](O)CNc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C18H24N6O/c1-12(2)24-11-21-15-16(19-10-14-7-5-4-6-8-14)22-18(23-17(15)24)20-9-13(3)25/h4-8,11-13,25H,9-10H2,1-3H3,(H2,19,20,22,23)/t13-/m1/s1
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n/an/a 1.10E+3n/an/an/an/a7.430



Palacky University



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 Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM10635
PNG
(3-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(pr...)
Show SMILES CC(C)C(CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C20H28N6O2/c1-12(2)16(10-27)23-20-24-18(21-9-14-6-5-7-15(28)8-14)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,16,27-28H,9-10H2,1-4H3,(H2,21,23,24,25)
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n/an/a 100n/an/an/an/a7.430



Palacky University



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 Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10633
PNG
(3-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc12
Show InChI InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)
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n/an/a 800n/an/an/an/a7.430



Palacky University



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 Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10634
PNG
((2R)-1-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-...)
Show SMILES C[C@@H](O)CNc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C18H24N6O/c1-12(2)24-11-21-15-16(19-10-14-7-5-4-6-8-14)22-18(23-17(15)24)20-9-13(3)25/h4-8,11-13,25H,9-10H2,1-3H3,(H2,19,20,22,23)/t13-/m1/s1
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n/an/a 200n/an/an/an/a7.430



Palacky University



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 Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10635
PNG
(3-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(pr...)
Show SMILES CC(C)C(CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C20H28N6O2/c1-12(2)16(10-27)23-20-24-18(21-9-14-6-5-7-15(28)8-14)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,16,27-28H,9-10H2,1-4H3,(H2,21,23,24,25)
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n/an/a 30n/an/an/an/a7.430



Palacky University



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 Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(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
Show InChI InChI=1/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-/s2
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n/an/a 450n/an/an/an/a7.230



CNRS



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 ...


Bioorg Med Chem Lett 14: 1703-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.050
BindingDB Entry DOI: 10.7270/Q2BZ648W
More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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-/s2
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n/an/a 160n/an/an/an/a7.230



CNRS



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 ...


Bioorg Med Chem Lett 14: 1703-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.050
BindingDB Entry DOI: 10.7270/Q2BZ648W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
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
Show InChI InChI=1/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-/s2
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n/an/a>1.00E+6n/an/an/an/an/a30



CNRS



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 ...


Bioorg Med Chem Lett 14: 1703-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.050
BindingDB Entry DOI: 10.7270/Q2BZ648W
More data for this
Ligand-Target Pair
cGMP-Dependent Protein Kinase


(Bos taurus (bovine))
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
Show InChI InChI=1/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-/s2
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n/an/a>1.00E+6n/an/an/an/an/a30



CNRS



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 ...


Bioorg Med Chem Lett 14: 1703-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.050
BindingDB Entry DOI: 10.7270/Q2BZ648W
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(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
Show InChI InChI=1/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-/s2
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n/an/a 1.30E+5n/an/an/an/an/a30



CNRS



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 ...


Bioorg Med Chem Lett 14: 1703-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.050
BindingDB Entry DOI: 10.7270/Q2BZ648W
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
Show InChI InChI=1/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-/s2
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n/an/a 1.70E+4n/an/an/an/an/a30



CNRS



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 ...


Bioorg Med Chem Lett 14: 1703-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.050
BindingDB Entry DOI: 10.7270/Q2BZ648W
More data for this
Ligand-Target Pair
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