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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50013700   
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))
BDBM50568690
PNG
(CHEMBL4870188)
Show SMILES CC(=O)N1CCCN(CC1)c1cccc(Nc2nccc(n2)-c2c[nH]c3ncccc23)c1
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51n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568686
PNG
(CHEMBL4864449)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c[nH]c3ncccc23)cc1
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96n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568688
PNG
(CHEMBL4862206)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nccc(n2)-c2c[nH]c3ncccc23)c1
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531n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568704
PNG
(CHEMBL4867869)
Show SMILES CC(=O)N1CCCN(CC1)c1cccc(Nc2nccc(n2)-c2n[nH]c3ccccc23)c1
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727n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568699
PNG
(CHEMBL4866028)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C#N)c(n2)-c2cn(C)c3ccccc23)cc1
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1.58E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568703
PNG
(CHEMBL4878159)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C#N)c(n2)-c2n[nH]c3ccccc23)cc1
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1.65E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568691
PNG
(CHEMBL4871011)
Show SMILES CC(=O)N1CCCN(CC1)c1cccc(Nc2nccc(n2)-c2cnc3n(C)cccc23)c1
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1.76E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568698
PNG
(CHEMBL4855435)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C#N)c(n2)-c2c[nH]c3ccccc23)cc1
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4.06E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568700
PNG
(CHEMBL4856641)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(C#N)c(n2)-c2c(C)[nH]c3ccccc23)cc1 |(87.73,-8.05,;86.39,-7.28,;86.39,-5.74,;85.06,-8.05,;83.72,-7.29,;82.39,-8.06,;82.39,-9.6,;83.73,-10.37,;85.07,-9.6,;81.06,-10.38,;81.06,-11.93,;79.73,-12.69,;78.4,-11.93,;77.06,-12.7,;75.72,-11.93,;74.39,-12.7,;73.05,-11.93,;73.05,-10.39,;71.72,-9.62,;70.39,-8.86,;74.39,-9.61,;75.72,-10.38,;74.37,-8.07,;75.61,-7.17,;77.07,-7.64,;75.13,-5.7,;73.6,-5.71,;72.57,-4.57,;71.06,-4.89,;70.6,-6.36,;71.63,-7.49,;73.12,-7.18,;78.38,-10.39,;79.71,-9.61,)|
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568701
PNG
(CHEMBL4847825)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2n[nH]c3ccccc23)cc1
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568702
PNG
(CHEMBL4848999)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2nn(C)c3ccccc23)cc1
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568697
PNG
(CHEMBL4869365)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cn(c3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568696
PNG
(CHEMBL4866358)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cn(C)c3ccccc23)cc1
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568695
PNG
(CHEMBL4865261)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c[nH]c3ccccc23)cc1
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM144315
PNG
(Gilteritinib | US11512074, Example T-9 | US8969336...)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1
Show InChI InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
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Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568694
PNG
(CHEMBL4850334)
Show SMILES CC(=O)N1CCCN(CC1)c1cccc(Nc2nccc(n2)-c2c[nH]c3cccnc23)c1
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568693
PNG
(CHEMBL4873875)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nccc(n2)-c2c[nH]c3cccnc23)c1
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568692
PNG
(CHEMBL4862054)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c[nH]c3cccnc23)cc1
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568689
PNG
(CHEMBL4868609)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nccc(n2)-c2cn(C)c3ncccc23)c1
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50568687
PNG
(CHEMBL4876697)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cn(C)c3ncccc23)cc1
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113215
BindingDB Entry DOI: 10.7270/Q22Z198K
More data for this
Ligand-Target Pair