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BDBM505100 US11066404, Example 3

SMILES: CC1(C)Cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2N(C1=O)c1ccccc1

InChI Key: InChIKey=POAQMSHKDCPSQM-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 = 505100   
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))
BDBM505100
PNG
(US11066404, Example 3)
Show SMILES CC1(C)Cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2N(C1=O)c1ccccc1
Show InChI InChI=1S/C21H27N5O3S/c1-21(2)13-15-14-22-20(23-16-9-11-25(12-10-16)30(3,28)29)24-18(15)26(19(21)27)17-7-5-4-6-8-17/h4-8,14,16H,9-13H2,1-3H3,(H,22,23,24)
PDB

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US Patent
n/an/a 200n/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