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PubMed code 26316466

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50121656
PNG
(CHEMBL3616869)
Show SMILES CSc1ccc(\C=N\c2cc(ccc2O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H12N2O3S/c1-20-12-5-2-10(3-6-12)9-15-13-8-11(16(18)19)4-7-14(13)17/h2-9,17H,1H3/b15-9+
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Article
PubMed
n/an/a 5.21E+4n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His-tagged recombinant human CDK2 (1 to 298 amino acid residues) expressed in Escherichia coli BL21 assessed as inhibi...


Bioorg Med Chem Lett 25: 4069-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.050
BindingDB Entry DOI: 10.7270/Q261123C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50121656
PNG
(CHEMBL3616869)
Show SMILES CSc1ccc(\C=N\c2cc(ccc2O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H12N2O3S/c1-20-12-5-2-10(3-6-12)9-15-13-8-11(16(18)19)4-7-14(13)17/h2-9,17H,1H3/b15-9+
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PubMed
n/an/a 5.51E+4n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His-tagged recombinant human CDK2 (1 to 298 amino acid residues) expressed in Escherichia coli BL21 assessed as inhibi...


Bioorg Med Chem Lett 25: 4069-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.050
BindingDB Entry DOI: 10.7270/Q261123C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50121656
PNG
(CHEMBL3616869)
Show SMILES CSc1ccc(\C=N\c2cc(ccc2O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H12N2O3S/c1-20-12-5-2-10(3-6-12)9-15-13-8-11(16(18)19)4-7-14(13)17/h2-9,17H,1H3/b15-9+
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Article
PubMed
n/an/a 5.82E+4n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His-tagged recombinant human CDK2 (1 to 298 amino acid residues) expressed in Escherichia coli BL21 assessed as inhibi...


Bioorg Med Chem Lett 25: 4069-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.050
BindingDB Entry DOI: 10.7270/Q261123C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50121656
PNG
(CHEMBL3616869)
Show SMILES CSc1ccc(\C=N\c2cc(ccc2O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H12N2O3S/c1-20-12-5-2-10(3-6-12)9-15-13-8-11(16(18)19)4-7-14(13)17/h2-9,17H,1H3/b15-9+
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PubMed
n/an/a 6.98E+4n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His-tagged recombinant human CDK2 (1 to 298 amino acid residues) expressed in Escherichia coli BL21 assessed as inhibi...


Bioorg Med Chem Lett 25: 4069-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.050
BindingDB Entry DOI: 10.7270/Q261123C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50121656
PNG
(CHEMBL3616869)
Show SMILES CSc1ccc(\C=N\c2cc(ccc2O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H12N2O3S/c1-20-12-5-2-10(3-6-12)9-15-13-8-11(16(18)19)4-7-14(13)17/h2-9,17H,1H3/b15-9+
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Article
PubMed
n/an/a 7.83E+4n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His-tagged recombinant human CDK2 (1 to 298 amino acid residues) expressed in Escherichia coli BL21 assessed as inhibi...


Bioorg Med Chem Lett 25: 4069-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.050
BindingDB Entry DOI: 10.7270/Q261123C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50121658
PNG
(CHEMBL3616877)
Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(C)n1
Show InChI InChI=1S/C25H30N4O6S/c1-6-33-21-14-18(15-22(34-7-2)23(21)35-8-3)24(30)28-19-9-11-20(12-10-19)36(31,32)29-25-26-16(4)13-17(5)27-25/h9-15H,6-8H2,1-5H3,(H,28,30)(H,26,27,29)
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Article
PubMed
n/an/a 1.05E+5n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His-tagged recombinant human CDK2 (1 to 298 amino acid residues) expressed in Escherichia coli BL21 assessed as inhibi...


Bioorg Med Chem Lett 25: 4069-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.050
BindingDB Entry DOI: 10.7270/Q261123C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50121656
PNG
(CHEMBL3616869)
Show SMILES CSc1ccc(\C=N\c2cc(ccc2O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H12N2O3S/c1-20-12-5-2-10(3-6-12)9-15-13-8-11(16(18)19)4-7-14(13)17/h2-9,17H,1H3/b15-9+
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Article
PubMed
n/an/a 1.51E+5n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to human CDK2 Y180A mutant expressed in Escherichia coli BL21 assessed as inhibition of interaction with cyclin A3 by measuring HHAS...


Bioorg Med Chem Lett 25: 4069-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.050
BindingDB Entry DOI: 10.7270/Q261123C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50121656
PNG
(CHEMBL3616869)
Show SMILES CSc1ccc(\C=N\c2cc(ccc2O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H12N2O3S/c1-20-12-5-2-10(3-6-12)9-15-13-8-11(16(18)19)4-7-14(13)17/h2-9,17H,1H3/b15-9+
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Article
PubMed
n/an/a 8.85E+5n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Binding affinity to human CDK2 R150A mutant expressed in Escherichia coli BL21 assessed as inhibition of interaction with cyclin A3 by measuring HHAS...


Bioorg Med Chem Lett 25: 4069-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.050
BindingDB Entry DOI: 10.7270/Q261123C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%