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SMILES: CN(C)[C@H]1CC[C@@H](CC1)n1c2nc(N[C@@H]3CCOC[C@H]3O)ncc2c(C)c(C(C)=O)c1=O

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 529915   
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 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529915
PNG
(US11203594, Example 25)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)n1c2nc(N[C@@H]3CCOC[C@H]3O)ncc2c(C)c(C(C)=O)c1=O |wU:14.14,3.2,wD:19.21,6.9,(-1.33,6.93,;,6.16,;1.33,6.93,;,4.62,;1.33,3.85,;1.33,2.31,;,1.54,;-1.33,2.31,;-1.33,3.85,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;8,-3.08,;9.34,-2.31,;9.34,-.77,;8,,;8,1.54,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-2.67,-4.62,;-1.33,-.77,;-2.67,,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
36n/an/an/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))
BDBM529915
PNG
(US11203594, Example 25)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)n1c2nc(N[C@@H]3CCOC[C@H]3O)ncc2c(C)c(C(C)=O)c1=O |wU:14.14,3.2,wD:19.21,6.9,(-1.33,6.93,;,6.16,;1.33,6.93,;,4.62,;1.33,3.85,;1.33,2.31,;,1.54,;-1.33,2.31,;-1.33,3.85,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;8,-3.08,;9.34,-2.31,;9.34,-.77,;8,,;8,1.54,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;,-3.08,;,-4.62,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-2.67,-4.62,;-1.33,-.77,;-2.67,,)|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
110n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair