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Patent code US11066404

Compile Data Set for Download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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)
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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
CDK2/CycE


(Homo sapiens (Human))
BDBM505099
PNG
(US11066404, Example 2)
Show SMILES CC1(C)Cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2N(C2CCCC2)C1=O
Show InChI InChI=1S/C20H31N5O3S/c1-20(2)12-14-13-21-19(22-15-8-10-24(11-9-15)29(3,27)28)23-17(14)25(18(20)26)16-6-4-5-7-16/h13,15-16H,4-12H2,1-3H3,(H,21,22,23)
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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
CDK2/CycE


(Homo sapiens (Human))
BDBM505102
PNG
(US11066404, Example 5)
Show SMILES Cn1nccc1CN1C(=O)C(C)(C)Cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C20H29N7O3S/c1-20(2)11-14-12-21-19(23-15-6-9-26(10-7-15)31(4,29)30)24-17(14)27(18(20)28)13-16-5-8-22-25(16)3/h5,8,12,15H,6-7,9-11,13H2,1-4H3,(H,21,23,24)
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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
CDK2/CycE


(Homo sapiens (Human))
BDBM505098
PNG
(US11066404, Example 1)
Show SMILES CC1(C)Cc2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc2N(C2CCCC2)C1=O
Show InChI InChI=1S/C20H25N5O3S/c1-20(2)11-13-12-22-19(23-14-7-9-16(10-8-14)29(21,27)28)24-17(13)25(18(20)26)15-5-3-4-6-15/h7-10,12,15H,3-6,11H2,1-2H3,(H2,21,27,28)(H,22,23,24)
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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
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)
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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
CDK2/CycE


(Homo sapiens (Human))
BDBM505103
PNG
(US11066404, Example 6)
Show SMILES CC1(C)Cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2N(C2CCOC2)C1=O
Show InChI InChI=1S/C19H29N5O4S/c1-19(2)10-13-11-20-18(21-14-4-7-23(8-5-14)29(3,26)27)22-16(13)24(17(19)25)15-6-9-28-12-15/h11,14-15H,4-10,12H2,1-3H3,(H,20,21,22)
PDB

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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
* indicates data uncertainty>20%