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SMILES: C[C@@]1(O)CCC[C@H]1n1nnc2c(cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12)C(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 3 hits for monomerid = 642779   
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))
BDBM642779
PNG
(US20230416271, Compound II.33)
Show SMILES C[C@@]1(O)CCC[C@H]1n1nnc2c(cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12)C(F)F |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM642779
PNG
(US20230416271, Compound II.33)
Show SMILES C[C@@]1(O)CCC[C@H]1n1nnc2c(cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12)C(F)F |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM642779
PNG
(US20230416271, Compound II.33)
Show SMILES C[C@@]1(O)CCC[C@H]1n1nnc2c(cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12)C(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair