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SMILES: COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCOCC2)c1C#N)-c1ccccc1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50567665   
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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50567665
PNG
(CHEMBL4855877)
Show SMILES COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCOCC2)c1C#N)-c1ccccc1
PDB
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PubMed
131n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin A2 (unknown origin) after 10 mins by ADP-Glo reagent based assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113389
BindingDB Entry DOI: 10.7270/Q26W9FVF
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50567665
PNG
(CHEMBL4855877)
Show SMILES COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCOCC2)c1C#N)-c1ccccc1
PDB
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203n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK7/cyclin H (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113389
BindingDB Entry DOI: 10.7270/Q26W9FVF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50567665
PNG
(CHEMBL4855877)
Show SMILES COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCOCC2)c1C#N)-c1ccccc1
PDB
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437n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113389
BindingDB Entry DOI: 10.7270/Q26W9FVF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM50567665
PNG
(CHEMBL4855877)
Show SMILES COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCOCC2)c1C#N)-c1ccccc1
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1.16E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113389
BindingDB Entry DOI: 10.7270/Q26W9FVF
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50567665
PNG
(CHEMBL4855877)
Show SMILES COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCOCC2)c1C#N)-c1ccccc1
PDB
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n/an/a 221n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/Cyclin A2 (unknown origin) after 10 mins by ADP-Glo reagent based assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113389
BindingDB Entry DOI: 10.7270/Q26W9FVF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM50567665
PNG
(CHEMBL4855877)
Show SMILES COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCOCC2)c1C#N)-c1ccccc1
PDB
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n/an/a 2.12E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113389
BindingDB Entry DOI: 10.7270/Q26W9FVF
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50567665
PNG
(CHEMBL4855877)
Show SMILES COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCOCC2)c1C#N)-c1ccccc1
PDB
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PC sid
UniChem
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n/an/a 318n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK7/cyclin H (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113389
BindingDB Entry DOI: 10.7270/Q26W9FVF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50567665
PNG
(CHEMBL4855877)
Show SMILES COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCOCC2)c1C#N)-c1ccccc1
PDB
MMDB

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PC sid
UniChem
Article
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n/an/a 718n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113389
BindingDB Entry DOI: 10.7270/Q26W9FVF
More data for this
Ligand-Target Pair