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BDBM505101 US11066404, Example 4

SMILES: CCC(C(F)F)N1C(=O)C(C)(C)Cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12

InChI Key: InChIKey=ZHGWROBJLLSMDI-UHFFFAOYSA-N

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 505101   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CDK2/CycE


(Homo sapiens (Human))
BDBM505101
PNG
(US11066404, Example 4)
Show SMILES CCC(C(F)F)N1C(=O)C(C)(C)Cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C19H29F2N5O3S/c1-5-14(15(20)21)26-16-12(10-19(2,3)17(26)27)11-22-18(24-16)23-13-6-8-25(9-7-13)30(4,28)29/h11,13-15H,5-10H2,1-4H3,(H,22,23,24)
PDB

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US Patent
n/an/a<55n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovir...


US Patent US11066404 (2021)

More data for this
Ligand-Target Pair