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SMILES: COCCn1nccc1C(=O)Nc1cc([nH]n1)[C@H]1CC[C@H](C1)OC(=O)NC(C)CC(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 4 hits for monomerid = 498262   
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))
BDBM498262
PNG
(US11014911, Example 87 | US11014911, Example 88 | ...)
Show SMILES COCCn1nccc1C(=O)Nc1cc([nH]n1)[C@H]1CC[C@H](C1)OC(=O)NC(C)CC(F)(F)F |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.150n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...


US Patent US11014911 (2021)


BindingDB Entry DOI: 10.7270/Q23N26H2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498262
PNG
(US11014911, Example 87 | US11014911, Example 88 | ...)
Show SMILES COCCn1nccc1C(=O)Nc1cc([nH]n1)[C@H]1CC[C@H](C1)OC(=O)NC(C)CC(F)(F)F |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.150n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22F7SJ2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498262
PNG
(US11014911, Example 87 | US11014911, Example 88 | ...)
Show SMILES COCCn1nccc1C(=O)Nc1cc([nH]n1)[C@H]1CC[C@H](C1)OC(=O)NC(C)CC(F)(F)F |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.32n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22F7SJ2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498262
PNG
(US11014911, Example 87 | US11014911, Example 88 | ...)
Show SMILES COCCn1nccc1C(=O)Nc1cc([nH]n1)[C@H]1CC[C@H](C1)OC(=O)NC(C)CC(F)(F)F |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.32n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...


US Patent US11014911 (2021)


BindingDB Entry DOI: 10.7270/Q23N26H2
More data for this
Ligand-Target Pair