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SMILES: C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)[S@@](=N)(=O)C2CC2)ncc1C(F)(F)F

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 2 hits for monomerid = 50563497   
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-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50563497
PNG
(CHEMBL4756673)
Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)[S@@](=N)(=O)C2CC2)ncc1C(F)(F)F |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged CDK2/cyclin E expressed in Sf9 cells using histone 3S as substrate incubated for 10 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50563497
PNG
(CHEMBL4756673)
Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)[S@@](=N)(=O)C2CC2)ncc1C(F)(F)F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged CDK1/cyclin B expressed in Sf9 cells using histone 3S as substrate incubated for 10 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair