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PubMed code 18232654

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/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM5718
PNG
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
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Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B by MESACUP assay


J Med Chem 51: 1048-52 (2008)


Article DOI: 10.1021/jm0700666
BindingDB Entry DOI: 10.7270/Q2RB75TC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50411620
PNG
(CHEMBL272186)
Show SMILES CCOC(=O)c1cc2ccc3c4cccc(Cl)c4[nH]c3c2[nH]1
Show InChI InChI=1S/C17H13ClN2O2/c1-2-22-17(21)13-8-9-6-7-11-10-4-3-5-12(18)15(10)20-16(11)14(9)19-13/h3-8,19-20H,2H2,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B by MESACUP assay


J Med Chem 51: 1048-52 (2008)


Article DOI: 10.1021/jm0700666
BindingDB Entry DOI: 10.7270/Q2RB75TC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50411621
PNG
(CHEMBL272400)
Show SMILES CCOC(=O)c1cc2ccc3c([nH]c4cccc(Cl)c34)c2[nH]1
Show InChI InChI=1S/C17H13ClN2O2/c1-2-22-17(21)13-8-9-6-7-10-14-11(18)4-3-5-12(14)19-16(10)15(9)20-13/h3-8,19-20H,2H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B by MESACUP assay


J Med Chem 51: 1048-52 (2008)


Article DOI: 10.1021/jm0700666
BindingDB Entry DOI: 10.7270/Q2RB75TC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50411618
PNG
(CHEMBL407018)
Show SMILES CCOC(=O)c1cc2ccc3c4ccccc4[nH]c3c2[nH]1
Show InChI InChI=1S/C17H14N2O2/c1-2-21-17(20)14-9-10-7-8-12-11-5-3-4-6-13(11)18-16(12)15(10)19-14/h3-9,18-19H,2H2,1H3
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B by MESACUP assay


J Med Chem 51: 1048-52 (2008)


Article DOI: 10.1021/jm0700666
BindingDB Entry DOI: 10.7270/Q2RB75TC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50411624
PNG
(CHEMBL407487)
Show SMILES CCOC(=O)c1cc2ccc3c4cc(Cl)ccc4[nH]c3c2[nH]1
Show InChI InChI=1S/C17H13ClN2O2/c1-2-22-17(21)14-7-9-3-5-11-12-8-10(18)4-6-13(12)19-16(11)15(9)20-14/h3-8,19-20H,2H2,1H3
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B by MESACUP assay


J Med Chem 51: 1048-52 (2008)


Article DOI: 10.1021/jm0700666
BindingDB Entry DOI: 10.7270/Q2RB75TC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50411619
PNG
(CHEMBL408543)
Show SMILES CCOC(=O)c1cc2ccc3c4cc(OC)ccc4[nH]c3c2[nH]1
Show InChI InChI=1S/C18H16N2O3/c1-3-23-18(21)15-8-10-4-6-12-13-9-11(22-2)5-7-14(13)19-17(12)16(10)20-15/h4-9,19-20H,3H2,1-2H3
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B by MESACUP assay


J Med Chem 51: 1048-52 (2008)


Article DOI: 10.1021/jm0700666
BindingDB Entry DOI: 10.7270/Q2RB75TC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50411622
PNG
(CHEMBL407486)
Show SMILES CCOC(=O)c1cc2ccc3c4ccc(Cl)cc4[nH]c3c2[nH]1
Show InChI InChI=1S/C17H13ClN2O2/c1-2-22-17(21)14-7-9-3-5-12-11-6-4-10(18)8-13(11)19-16(12)15(9)20-14/h3-8,19-20H,2H2,1H3
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B by MESACUP assay


J Med Chem 51: 1048-52 (2008)


Article DOI: 10.1021/jm0700666
BindingDB Entry DOI: 10.7270/Q2RB75TC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50411623
PNG
(CHEMBL272399)
Show SMILES CCOC(=O)c1cc2ccc3c4cc(C)ccc4[nH]c3c2[nH]1
Show InChI InChI=1S/C18H16N2O2/c1-3-22-18(21)15-9-11-5-6-12-13-8-10(2)4-7-14(13)19-17(12)16(11)20-15/h4-9,19-20H,3H2,1-2H3
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Patras

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B by MESACUP assay


J Med Chem 51: 1048-52 (2008)


Article DOI: 10.1021/jm0700666
BindingDB Entry DOI: 10.7270/Q2RB75TC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%