Found 26 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Cyclin-dependent kinase 5
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by ChEMBL
| Assay Description Inhibition of CDK5 |
AAPS J 8: 204-21 (2006)
Article DOI: 10.1208/aapsj080125 BindingDB Entry DOI: 10.7270/Q2TX3GBS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Central University of Punjab
Curated by ChEMBL
| Assay Description Inhibition of CDK5 (unknown origin) |
Eur J Med Chem 142: 424-458 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.071 BindingDB Entry DOI: 10.7270/Q2S1856W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7585
((R,S)-Roscovitine | 2,6,9-Trisubstituted purine de...)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) | PDB MMDB
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | 30 |
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 Structure (crystal) |
Cyclin-dependent kinase 5 activator 1 [99-307]
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | 7.2 | 30 |
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 Structure (crystal) |
Cyclin-dependent kinase 5
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
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Institut Curie
Curated by ChEMBL
| Assay Description Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK5 |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
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Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Nantes
Curated by ChEMBL
| Assay Description Inhibition of CDK5/p25 (unknown origin) |
Eur J Med Chem 43: 1469-77 (2008)
Article DOI: 10.1016/j.ejmech.2007.09.020 BindingDB Entry DOI: 10.7270/Q24M9495 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
European Institute of Oncology
Curated by ChEMBL
| Assay Description Inhibition of cyclin-dependent kinase 5/p25; range 0.1-0.2 |
J Med Chem 48: 671-9 (2005)
Article DOI: 10.1021/jm049323m BindingDB Entry DOI: 10.7270/Q2MP52S4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1 [99-307]
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.2 | 30 |
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 Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
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Universit£ de Poitiers
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CDK5/p25 after 30 mins in presence of [gamma-33P] by scintillation counting method |
Eur J Med Chem 158: 1-6 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.100 BindingDB Entry DOI: 10.7270/Q27P9238 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Paris Descartes
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CDK5/p25 after 30 mins by scintillation counting |
Bioorg Med Chem Lett 23: 125-31 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.141 BindingDB Entry DOI: 10.7270/Q2J38TVS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
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Universit£ de Nantes
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate |
Eur J Med Chem 57: 225-33 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.001 BindingDB Entry DOI: 10.7270/Q2RF5W4C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
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Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter |
Bioorg Med Chem Lett 21: 2098-101 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.140 BindingDB Entry DOI: 10.7270/Q2GT5NG8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1 [99-307]
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
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| n/a | n/a | 270 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Universite de Lyon
| Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]... |
J Med Chem 52: 655-63 (2009)
Article DOI: 10.1021/jm801340z BindingDB Entry DOI: 10.7270/Q2WQ024J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lyon
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CDK5/p25 using [gamma-33P]ATP after 30 mins incubation by scintillation counting analysis |
Eur J Med Chem 83: 617-29 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.063 BindingDB Entry DOI: 10.7270/Q2GQ70BB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India.
Curated by ChEMBL
| Assay Description Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting |
Eur J Med Chem 46: 2066-74 (2011)
Article DOI: 10.1016/j.ejmech.2011.02.059 BindingDB Entry DOI: 10.7270/Q28S4R6B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
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B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CDK5/p25 expressed in Escherichia coli |
Eur J Med Chem 56: 210-216 (2012)
Article DOI: 10.1016/j.ejmech.2012.08.033 BindingDB Entry DOI: 10.7270/Q2ST7R34 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| MMDB PDB PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Molecular and Cell Biology
Curated by ChEMBL
| Assay Description Inhibition of Cell division cycle 2 (CDK1)-cyclin B |
Bioorg Med Chem Lett 12: 1129-32 (2002)
BindingDB Entry DOI: 10.7270/Q2CC1006 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Palacky£? University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CDK5/p35 |
J Med Chem 54: 2980-93 (2011)
Article DOI: 10.1021/jm200064p BindingDB Entry DOI: 10.7270/Q20K28XN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB PDB Article PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany AS CR
Curated by ChEMBL
| Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP |
Eur J Med Chem 110: 291-301 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| MMDB PDB Article PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate |
Eur J Med Chem 61: 61-72 (2013)
Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Binding constant for full-length CDK5 |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| MMDB PDB PCBioAssay
| n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2K64GF3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5
(291/292 > 99%)† (Homo sapiens (Human)) | BDBM7533
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description Average Binding Constant for CDK5; NA=Not Active at 10 uM |
Nat Biotechnol 23: 329-36 (2005)
Article DOI: 10.1038/nbt1068 BindingDB Entry DOI: 10.7270/Q2V69J3T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |