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Compile Data Set for Download or QSAR

Found 1790 hits of ic50 for UniProtKB: Q15078   
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
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585766
PNG
(CHEMBL5080866)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ccc3F)N3CCOCC3)cc2n1 |r|
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Nano-Luc fused human full length CDK5/P35 transfected in HEK293 cells incubated for 1 hr by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585763
PNG
(CHEMBL5075328)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)-c3cccc(c3)C#N)cc2n1 |r|
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM6878
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
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Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany ASCR

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate as substrate in presence...


J Med Chem 61: 9105-9120 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00049
BindingDB Entry DOI: 10.7270/Q2FB5665
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585762
PNG
(CHEMBL5077138)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)S(C)(=O)=O)cc2n1 |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585759
PNG
(CHEMBL5081712)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccccc3)cc2n1 |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585768
PNG
(CHEMBL5074832)
Show SMILES CCc1ccc(F)c(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c1 |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585770
PNG
(CHEMBL5080351)
Show SMILES CC(C)Oc1ccc(F)c(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c1 |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM601933
PNG
(4-((6'-hydroxy-8'-oxo-7',8'-dihydro-6'H- spiro[cyc...)
Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
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n/an/a 0.680n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VX0MGD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585785
PNG
(CHEMBL5077028)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(N4CC5CCC(C4)O5)c(cc3F)C#N)cc2n1 |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585774
PNG
(CHEMBL5086375)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)C#N)cc2n1 |r|
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TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585780
PNG
(CHEMBL5090019)
Show SMILES CC(C)c1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585761
PNG
(CHEMBL5078762)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)-n3cccn3)cc2n1 |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585775
PNG
(CHEMBL5091792)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)N3CCCC3)cc2n1 |r|
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585779
PNG
(CHEMBL5088595)
Show SMILES CCc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585772
PNG
(CHEMBL5080566)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(N4CCOCC4)c(cc3F)C#N)cc2n1 |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Nano-Luc fused human full length CDK5/P35 transfected in HEK293 cells incubated for 1 hr by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK5/p25 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated histone H1 as substrate aft...


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02064
BindingDB Entry DOI: 10.7270/Q2SB49QV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM601953
PNG
(2'-((4-(piperazine-1- carbonyl)phenyl)amino)-7',8'...)
Show SMILES O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)cc1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VX0MGD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585756
PNG
(CHEMBL5092400)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1 |r|
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TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585782
PNG
(CHEMBL5080361)
Show SMILES CC(C)c1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cc1C#N |r|
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TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585760
PNG
(CHEMBL5077125)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccccc3F)cc2n1 |r|
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585764
PNG
(CHEMBL5088315)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)-c3cccn(C)c3=O)cc2n1 |r|
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Nano-Luc fused human full length CDK5/P35 transfected in HEK293 cells incubated for 1 hr by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585777
PNG
(CHEMBL5083778)
Show SMILES CC(C)Oc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
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TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585769
PNG
(CHEMBL5094270)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ccc3F)C(F)(F)F)cc2n1 |r|
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TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585771
PNG
(CHEMBL5078192)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)N3CCOCC3)cc2n1 |r|
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TBA

Assay Description
Inhibition of Nano-Luc fused human full length CDK5/P35 transfected in HEK293 cells incubated for 1 hr by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25 (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured afte...


J Med Chem 56: 3768-82 (2013)


Article DOI: 10.1021/jm301234k
BindingDB Entry DOI: 10.7270/Q25T3MV7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK5/p35 using histone H1 as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM601934
PNG
(4-((7'-oxo-7',8'-dihydro-6'H- spiro[cyclohexane-1,...)
Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
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n/an/a 1.40n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VX0MGD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50414916
PNG
(CHEMBL567005)
Show SMILES CCCc1[nH]c(=O)c(cc1C(=O)OCC)-c1csc(CS(=O)(=O)c2ccccc2)n1
Show InChI InChI=1S/C21H22N2O5S2/c1-3-8-17-16(21(25)28-4-2)11-15(20(24)23-17)18-12-29-19(22-18)13-30(26,27)14-9-6-5-7-10-14/h5-7,9-12H,3-4,8,13H2,1-2H3,(H,23,24)
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n/an/a 1.40n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human CDK5/p25 assessed as histone h1 phosphorylation in presence of ATP


Bioorg Med Chem Lett 19: 6591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.027
BindingDB Entry DOI: 10.7270/Q2K937KN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585765
PNG
(CHEMBL5078596)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cccc(c3)N3CCOCC3)cc2n1 |r|
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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50433369
PNG
(CHEMBL2377825)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C16H13N5O5S2/c17-15-14(13(22)11-3-1-2-4-12(11)21(23)24)27-16(20-15)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26)
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n/an/a 1.5n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25 (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured afte...


J Med Chem 56: 3768-82 (2013)


Article DOI: 10.1021/jm301234k
BindingDB Entry DOI: 10.7270/Q25T3MV7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585766
PNG
(CHEMBL5080866)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ccc3F)N3CCOCC3)cc2n1 |r|
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TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human CDK5/p35 using histone H1 as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM601942
PNG
(4-((8'-methyl-7'-oxo-7',8'-dihydro- 6'H-spiro[cycl...)
Show SMILES CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VX0MGD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585772
PNG
(CHEMBL5080566)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(N4CCOCC4)c(cc3F)C#N)cc2n1 |r|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50193093
PNG
(RGB-286638)
Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38)
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n/an/a 2n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35 (unknown origin)


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK5/p25 using histone H1 as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585783
PNG
(CHEMBL5070707)
Show SMILES CC(C)Oc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cc1C#N |r|
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585784
PNG
(CHEMBL5087911)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(c(cc3F)C#N)C(F)(F)F)cc2n1 |r|
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TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50261164
PNG
(CHEMBL4103221)
Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r,wU:12.15,10.10,(26.01,-22.02,;24.92,-23.11,;23.43,-22.71,;22.35,-23.8,;22.75,-25.29,;24.23,-25.68,;25.32,-24.6,;24.63,-27.17,;26.14,-27.49,;23.6,-28.32,;22.09,-28,;20.8,-28.83,;19.97,-27.54,;21.26,-26.71,;18.46,-27.22,;17.83,-25.81,;16.3,-25.98,;15.98,-27.48,;14.65,-28.26,;13.31,-27.48,;11.98,-28.26,;10.65,-27.48,;10.65,-25.94,;9.31,-25.18,;7.98,-25.94,;7.98,-27.48,;6.64,-28.26,;9.31,-28.26,;14.65,-29.8,;15.98,-30.56,;17.31,-29.8,;17.31,-28.26,)|
Show InChI InChI=1S/C23H22ClN7O/c1-14-4-2-7-19(29-14)23(32)30-17-9-18(10-17)31-13-28-20-21(26-12-27-22(20)31)25-11-15-5-3-6-16(24)8-15/h2-8,12-13,17-18H,9-11H2,1H3,(H,30,32)(H,25,26,27)/t17-,18+
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n/an/a 2.30n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35 (unknown origin) using ULingt-4E-BP as substrate after 1 hr in presence of ATP by fluorescence assay


Bioorg Med Chem Lett 27: 4399-4404 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.018
BindingDB Entry DOI: 10.7270/Q2W66P60
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585781
PNG
(CHEMBL5084200)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)C(F)(F)F)cc2n1 |r|
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n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50593924
PNG
(AVOTACICLIB | Avotaciclib | BEY-1107 | BEY1107 | B...)
Show SMILES Nc1nccc(n1)-c1ccc(O)c(n1)-c1ccnc(N)n1
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n/an/a 2.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02064
BindingDB Entry DOI: 10.7270/Q2SB49QV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human CDK5/p25 using histone H1 as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585767
PNG
(CHEMBL5079342)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ccc3F)N3CCN(CC3)C(C)=O)cc2n1 |r|
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n/an/a 2.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585764
PNG
(CHEMBL5088315)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)-c3cccn(C)c3=O)cc2n1 |r|
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n/an/a 2.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50371400
PNG
(MERIOLIN 5)
Show SMILES CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Show InChI InChI=1S/C14H15N5O/c1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10/h3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19)
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n/an/a 3n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 expressed in baculovirus infected Sf9 insect cells after 30 mins by [gamma-33P]ATP based scintillation count...


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50585778
PNG
(CHEMBL5084882)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(OC4CCC4)ncc3F)cc2n1 |r|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50371400
PNG
(MERIOLIN 5)
Show SMILES CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Show InChI InChI=1S/C14H15N5O/c1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10/h3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19)
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n/an/a 3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-CDK5/p25 expressed in Escherichia coli


J Med Chem 51: 737-51 (2008)


Article DOI: 10.1021/jm700940h
BindingDB Entry DOI: 10.7270/Q2ZP46ZR
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM601952
PNG
(2'-((4-(4-methylpiperazine-1- carbonyl)phenyl)amin...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
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n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VX0MGD
More data for this
Ligand-Target Pair
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