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Compile Data Set for Download or QSAR

Found 184 hits with Last Name = 'pan-zhou' and Initial = 'xr'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 5 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))
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))
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))
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))
BDBM50585774
PNG
(CHEMBL5086375)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(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))
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))
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))
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))
BDBM50585756
PNG
(CHEMBL5092400)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1 |r|
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n/an/a 1n/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))
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))
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))
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))
BDBM50585769
PNG
(CHEMBL5094270)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ccc3F)C(F)(F)F)cc2n1 |r|
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n/an/a 1.20n/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))
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))
BDBM50585771
PNG
(CHEMBL5078192)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)N3CCOCC3)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))
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))
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 1.60n/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))
BDBM50585766
PNG
(CHEMBL5080866)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ccc3F)N3CCOCC3)cc2n1 |r|
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n/an/a 1.80n/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))
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))
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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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))
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))
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))
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-A2/Cyclin-dependent kinase 2


(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 2.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST tagged human CDK2(1 to 298 residues)/CyclinA2 (1 to 432 residues) expressed in baculovirus expression system...


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))
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))
BDBM50585771
PNG
(CHEMBL5078192)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)N3CCOCC3)cc2n1 |r|
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n/an/a 3.20n/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))
BDBM50585753
PNG
(CHEMBL5082140)
Show SMILES C[C@@](O)(C1CCNCC1)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1 |r|
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n/an/a 3.60n/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))
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 3.70n/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))
BDBM50585754
PNG
(CHEMBL5093640)
Show SMILES CN1CCC(CC1)Oc1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1
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n/an/a 3.90n/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))
BDBM50585757
PNG
(CHEMBL5079772)
Show SMILES C[C@@H](C1CCN(C)CC1)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1 |r|
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n/an/a 4.30n/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))
BDBM50585786
PNG
(CHEMBL5080813)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)C(N)=O)cc2n1 |r|
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n/an/a 4.40n/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))
BDBM50585755
PNG
(CHEMBL5093012)
Show SMILES CN1CCC(CC1)N(CC(O)=O)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1
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n/an/a 4.5n/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))
BDBM50585758
PNG
(CHEMBL5076000)
Show SMILES CN1CCC(CC1)[C@@H](O)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1 |r|
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n/an/a 5.90n/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))
BDBM50585776
PNG
(CHEMBL5080123)
Show SMILES CC(C)Nc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
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n/an/a 6.30n/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))
BDBM50585750
PNG
(CHEMBL5094131)
Show SMILES OCc1ccn(n1)-c1ccc(Nc2cc3nc(NC4CCNCC4)ccc3cn2)c(F)c1
PDB
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n/an/a 11n/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))
BDBM50585749
PNG
(CHEMBL5088480)
Show SMILES OCc1ccn(n1)-c1ccc(Nc2cc3nc(OC4CCNCC4)ccc3cn2)c(F)c1
PDB
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n/an/a 16n/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))
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 16n/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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50585759
PNG
(CHEMBL5081712)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccccc3)cc2n1 |r|
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST tagged human CDK2(1 to 298 residues)/CyclinA2 (1 to 432 residues) expressed in baculovirus expression system...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(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 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST tagged human CDK2(1 to 298 residues)/CyclinA2 (1 to 432 residues) expressed in baculovirus expression system...


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))
BDBM50585752
PNG
(CHEMBL5093797)
Show SMILES OCc1ccn(n1)-c1ccc(Nc2cc3nc(ccc3cn2)N(CC(O)=O)C2CCNCC2)c(F)c1
PDB
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n/an/a 26n/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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50585774
PNG
(CHEMBL5086375)
Show SMILES CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)C#N)cc2n1 |r|
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n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST tagged human CDK2(1 to 298 residues)/CyclinA2 (1 to 432 residues) expressed in baculovirus expression system...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(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 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST tagged human CDK2(1 to 298 residues)/CyclinA2 (1 to 432 residues) expressed in baculovirus expression system...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(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 43n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST tagged human CDK2(1 to 298 residues)/CyclinA2 (1 to 432 residues) expressed in baculovirus expression system...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(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 47n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST tagged human CDK2(1 to 298 residues)/CyclinA2 (1 to 432 residues) expressed in baculovirus expression system...


Citation and Details

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