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Patent code US10696682

Compile Data Set for Download or QSAR
Found 44 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))
BDBM448923
PNG
(US10696682, Compound 34)
Show SMILES O=C1NCC2(CCCC2)N2C3N=C(Nc4ccc(cc4)N4CCOCC4)N=CC3C=C12
Show InChI InChI=1S/C23H28N6O2/c30-21-19-13-16-14-24-22(27-20(16)29(19)23(15-25-21)7-1-2-8-23)26-17-3-5-18(6-4-17)28-9-11-31-12-10-28/h3-6,13-14,16,20H,1-2,7-12,15H2,(H,25,30)(H,26,27)
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n/an/a 55n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448984
PNG
(US10696682, Compound 20)
Show SMILES CC(C)(C)[C@H]1CNC(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCNCC4)=NC3N12
Show InChI InChI=1S/C22H30N8O/c1-22(2,3)17-13-25-20(31)16-10-14-11-26-21(28-19(14)30(16)17)27-18-5-4-15(12-24-18)29-8-6-23-7-9-29/h4-5,10-12,14,17,19,23H,6-9,13H2,1-3H3,(H,25,31)(H,24,27,28)/t14?,17-,19?/m1/s1
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n/an/a 550n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448978
PNG
(US10696682, Compound 23)
Show SMILES O=C1NC[C@@H](N2C3N=C(Nc4ccc(cn4)N4CCNCC4)N=CC3C=C12)c1ccccc1
Show InChI InChI=1S/C24H26N8O/c33-23-19-12-17-13-28-24(29-21-7-6-18(14-26-21)31-10-8-25-9-11-31)30-22(17)32(19)20(15-27-23)16-4-2-1-3-5-16/h1-7,12-14,17,20,22,25H,8-11,15H2,(H,27,33)(H,26,29,30)/t17?,20-,22?/m1/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448991
PNG
(US10696682, Compound 21)
Show SMILES CN1C[C@@H](N2C3N=C(Nc4ccc(cn4)N4CCNCC4)N=CC3C=C2C1=O)C(C)(C)C
Show InChI InChI=1S/C23H32N8O/c1-23(2,3)18-14-29(4)21(32)17-11-15-12-26-22(28-20(15)31(17)18)27-19-6-5-16(13-25-19)30-9-7-24-8-10-30/h5-6,11-13,15,18,20,24H,7-10,14H2,1-4H3,(H,25,27,28)/t15?,18-,20?/m1/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448917
PNG
(US10696682, Compound 28)
Show SMILES O=C1NCC2(CCCCC2)N2C3N=C(Nc4ccc(cn4)N4CCNCC4)N=CC3C=C12
Show InChI InChI=1S/C23H30N8O/c32-21-18-12-16-13-26-22(28-19-5-4-17(14-25-19)30-10-8-24-9-11-30)29-20(16)31(18)23(15-27-21)6-2-1-3-7-23/h4-5,12-14,16,20,24H,1-3,6-11,15H2,(H,27,32)(H,25,28,29)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448987
PNG
(US10696682, Compound 22)
Show SMILES CN1CCN(CC1)c1ccc(NC2=NC3C(C=C4N3[C@H](CNC4=O)c3ccccc3)C=N2)nc1
Show InChI InChI=1S/C25H28N8O/c1-31-9-11-32(12-10-31)19-7-8-22(26-15-19)29-25-28-14-18-13-20-24(34)27-16-21(33(20)23(18)30-25)17-5-3-2-4-6-17/h2-8,13-15,18,21,23H,9-12,16H2,1H3,(H,27,34)(H,26,29,30)/t18?,21-,23?/m1/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448981
PNG
(US10696682, Compound 26)
Show SMILES CC1(C)CNC(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCNCC4)=NC3N12
Show InChI InChI=1S/C20H26N8O/c1-20(2)12-24-18(29)15-9-13-10-23-19(26-17(13)28(15)20)25-16-4-3-14(11-22-16)27-7-5-21-6-8-27/h3-4,9-11,13,17,21H,5-8,12H2,1-2H3,(H,24,29)(H,22,25,26)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448953
PNG
(US10696682, Compound 46)
Show SMILES CC(C)CC1CNC(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCNCC4)=NC3N12
Show InChI InChI=1S/C22H30N8O/c1-14(2)9-17-13-25-21(31)18-10-15-11-26-22(28-20(15)30(17)18)27-19-4-3-16(12-24-19)29-7-5-23-6-8-29/h3-4,10-12,14-15,17,20,23H,5-9,13H2,1-2H3,(H,25,31)(H,24,27,28)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448925
PNG
(US10696682, Compound 36)
Show SMILES CC(C)CN1CCN(CC1)c1ccc(NC2=NC3C(C=C4N3C3(CCCC3)CNC4=O)C=N2)nc1
Show InChI InChI=1S/C26H36N8O/c1-18(2)16-32-9-11-33(12-10-32)20-5-6-22(27-15-20)30-25-28-14-19-13-21-24(35)29-17-26(7-3-4-8-26)34(21)23(19)31-25/h5-6,13-15,18-19,23H,3-4,7-12,16-17H2,1-2H3,(H,29,35)(H,27,30,31)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448942
PNG
(US10696682, Compound 17)
Show SMILES CCC(C)[C@H]1CNC(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCNCC4)=NC3N12
Show InChI InChI=1S/C22H30N8O/c1-3-14(2)18-13-25-21(31)17-10-15-11-26-22(28-20(15)30(17)18)27-19-5-4-16(12-24-19)29-8-6-23-7-9-29/h4-5,10-12,14-15,18,20,23H,3,6-9,13H2,1-2H3,(H,25,31)(H,24,27,28)/t14?,15?,18-,20?/m1/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448992
PNG
(US10696682, Compound 25)
Show SMILES CC(C)[C@@H]1CN2C3N=C(Nc4ccc(cn4)N4CCNCC4)N=CC3C=C2C(=O)N1
Show InChI InChI=1S/C21H28N8O/c1-13(2)16-12-29-17(20(30)25-16)9-14-10-24-21(27-19(14)29)26-18-4-3-15(11-23-18)28-7-5-22-6-8-28/h3-4,9-11,13-14,16,19,22H,5-8,12H2,1-2H3,(H,25,30)(H,23,26,27)/t14?,16-,19?/m0/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448983
PNG
(US10696682, Compound 37)
Show SMILES CC1CN(CC(C)O1)c1ccc(NC2=NC3C(C=C4N3C3(CCCC3)CNC4=O)C=N2)nc1
Show InChI InChI=1S/C24H31N7O2/c1-15-12-30(13-16(2)33-15)18-5-6-20(25-11-18)28-23-26-10-17-9-19-22(32)27-14-24(7-3-4-8-24)31(19)21(17)29-23/h5-6,9-11,15-17,21H,3-4,7-8,12-14H2,1-2H3,(H,27,32)(H,25,28,29)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448968
PNG
(US10696682, Compound 32)
Show SMILES O=C1NCC2(CCCC2)N2C3N=C(Nc4ccc(cn4)N4CCOCC4)N=CC3C=C12
Show InChI InChI=1S/C22H27N7O2/c30-20-17-11-15-12-24-21(27-19(15)29(17)22(14-25-20)5-1-2-6-22)26-18-4-3-16(13-23-18)28-7-9-31-10-8-28/h3-4,11-13,15,19H,1-2,5-10,14H2,(H,25,30)(H,23,26,27)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448961
PNG
(US10696682, Compound 16)
Show SMILES CCC(C)[C@H]1CNC(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCN(C)CC4)=NC3N12
Show InChI InChI=1S/C23H32N8O/c1-4-15(2)19-14-25-22(32)18-11-16-12-26-23(28-21(16)31(18)19)27-20-6-5-17(13-24-20)30-9-7-29(3)8-10-30/h5-6,11-13,15-16,19,21H,4,7-10,14H2,1-3H3,(H,25,32)(H,24,27,28)/t15?,16?,19-,21?/m1/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448921
PNG
(US10696682, Compound 33)
Show SMILES O=C1NCC2(CCCC2)N2C3N=C(Nc4ccc(nn4)N4CCOCC4)N=CC3C=C12
Show InChI InChI=1S/C21H26N8O2/c30-19-15-11-14-12-22-20(25-18(14)29(15)21(13-23-19)5-1-2-6-21)24-16-3-4-17(27-26-16)28-7-9-31-10-8-28/h3-4,11-12,14,18H,1-2,5-10,13H2,(H,23,30)(H,24,25,26)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448994
PNG
(US10696682, Compound 24)
Show SMILES CC(C)[C@H]1CN2C3N=C(Nc4ccc(cn4)N4CCNCC4)N=CC3C=C2C(=O)N1C
Show InChI InChI=1S/C22H30N8O/c1-14(2)18-13-30-17(21(31)28(18)3)10-15-11-25-22(27-20(15)30)26-19-5-4-16(12-24-19)29-8-6-23-7-9-29/h4-5,10-12,14-15,18,20,23H,6-9,13H2,1-3H3,(H,24,26,27)/t15?,18-,20?/m1/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448943
PNG
(US10696682, Compound 41)
Show SMILES O=C1NCC2(CCCC2)N2C3N=C(Nc4ccc(cn4)N4CCSCC4)N=CC3C=C12
Show InChI InChI=1S/C22H27N7OS/c30-20-17-11-15-12-24-21(27-19(15)29(17)22(14-25-20)5-1-2-6-22)26-18-4-3-16(13-23-18)28-7-9-31-10-8-28/h3-4,11-13,15,19H,1-2,5-10,14H2,(H,25,30)(H,23,26,27)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448972
PNG
(US10696682, Compound 13)
Show SMILES CC(C)C[C@H]1CNC(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCNCC4)=NC3N12
Show InChI InChI=1S/C22H30N8O/c1-14(2)9-17-13-25-21(31)18-10-15-11-26-22(28-20(15)30(17)18)27-19-4-3-16(12-24-19)29-7-5-23-6-8-29/h3-4,10-12,14-15,17,20,23H,5-9,13H2,1-2H3,(H,25,31)(H,24,27,28)/t15?,17-,20?/m0/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448986
PNG
(US10696682, Compound 9)
Show SMILES CC(C)[C@@H]1CNC(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCNCC4)=NC3N12
Show InChI InChI=1S/C21H28N8O/c1-13(2)17-12-24-20(30)16-9-14-10-25-21(27-19(14)29(16)17)26-18-4-3-15(11-23-18)28-7-5-22-6-8-28/h3-4,9-11,13-14,17,19,22H,5-8,12H2,1-2H3,(H,24,30)(H,23,26,27)/t14?,17-,19?/m0/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448980
PNG
(US10696682, Compound 49)
Show SMILES O=C1N[C@H]2CCC[C@@H]2N2C3N=C(Nc4ccc(cn4)N4CCNCC4)N=CC3C=C12
Show InChI InChI=1S/C21H26N8O/c30-20-17-10-13-11-24-21(27-19(13)29(17)16-3-1-2-15(16)25-20)26-18-5-4-14(12-23-18)28-8-6-22-7-9-28/h4-5,10-13,15-16,19,22H,1-3,6-9H2,(H,25,30)(H,23,26,27)/t13?,15-,16-,19?/m0/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448970
PNG
(US10696682, Compound 10)
Show SMILES CC(C)[C@H]1CNC(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCNCC4)=NC3N12
Show InChI InChI=1S/C21H28N8O/c1-13(2)17-12-24-20(30)16-9-14-10-25-21(27-19(14)29(16)17)26-18-4-3-15(11-23-18)28-7-5-22-6-8-28/h3-4,9-11,13-14,17,19,22H,5-8,12H2,1-2H3,(H,24,30)(H,23,26,27)/t14?,17-,19?/m1/s1
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n/an/a 5.05E+4n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448941
PNG
(US10696682, Compound 40)
Show SMILES O=C1NCC2(CCCC2)N2C3N=C(Nc4ccc(cn4)N4CCC(CC4)N4CCCCC4)N=CC3C=C12
Show InChI InChI=1S/C28H38N8O/c37-26-23-16-20-17-30-27(33-25(20)36(23)28(19-31-26)10-2-3-11-28)32-24-7-6-22(18-29-24)35-14-8-21(9-15-35)34-12-4-1-5-13-34/h6-7,16-18,20-21,25H,1-5,8-15,19H2,(H,31,37)(H,29,32,33)
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n/an/a 5.05E+4n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM6309
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
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US Patent
n/an/a 5.05E+4n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448927
PNG
(US10696682, Compound 35)
Show SMILES CC(C)N1CCN(CC1)c1ccc(NC2=NC3C(C=C4N3C3(CCCC3)CNC4=O)C=N2)nc1
Show InChI InChI=1S/C25H34N8O/c1-17(2)31-9-11-32(12-10-31)19-5-6-21(26-15-19)29-24-27-14-18-13-20-23(34)28-16-25(7-3-4-8-25)33(20)22(18)30-24/h5-6,13-15,17-18,22H,3-4,7-12,16H2,1-2H3,(H,28,34)(H,26,29,30)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448954
PNG
(US10696682, Compound 29)
Show SMILES CN1CCN(CC1)c1ccc(NC2=NC3C(C=C4N3C3(CCCC3)CNC4=O)C=N2)nc1
Show InChI InChI=1S/C23H30N8O/c1-29-8-10-30(11-9-29)17-4-5-19(24-14-17)27-22-25-13-16-12-18-21(32)26-15-23(6-2-3-7-23)31(18)20(16)28-22/h4-5,12-14,16,20H,2-3,6-11,15H2,1H3,(H,26,32)(H,24,27,28)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448956
PNG
(US10696682, Compound 30)
Show SMILES O=C1NCC2(CCCC2)N2C3N=C(Nc4ccc(cn4)N4CCNCC4)N=CC3C=C12
Show InChI InChI=1S/C22H28N8O/c31-20-17-11-15-12-25-21(28-19(15)30(17)22(14-26-20)5-1-2-6-22)27-18-4-3-16(13-24-18)29-9-7-23-8-10-29/h3-4,11-13,15,19,23H,1-2,5-10,14H2,(H,26,31)(H,24,27,28)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448969
PNG
(US10696682, Compound 12)
Show SMILES CC(C)C[C@H]1CNC(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCN(C)CC4)=NC3N12
Show InChI InChI=1S/C23H32N8O/c1-15(2)10-18-14-25-22(32)19-11-16-12-26-23(28-21(16)31(18)19)27-20-5-4-17(13-24-20)30-8-6-29(3)7-9-30/h4-5,11-13,15-16,18,21H,6-10,14H2,1-3H3,(H,25,32)(H,24,27,28)/t16?,18-,21?/m0/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448919
PNG
(US10696682, Compound 27)
Show SMILES CN1CCN(CC1)c1ccc(NC2=NC3C(C=C4N3C3(CCCCC3)CNC4=O)C=N2)nc1
Show InChI InChI=1S/C24H32N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15,17,21H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,28,29)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448929
PNG
(US10696682, Compound 39)
Show SMILES O=C1NCC2(CCCC2)N2C3N=C(Nc4ccc(cn4)N4CCC(CC4)N4CCOCC4)N=CC3C=C12
Show InChI InChI=1S/C27H36N8O2/c36-25-22-15-19-16-29-26(32-24(19)35(22)27(18-30-25)7-1-2-8-27)31-23-4-3-21(17-28-23)33-9-5-20(6-10-33)34-11-13-37-14-12-34/h3-4,15-17,19-20,24H,1-2,5-14,18H2,(H,30,36)(H,28,31,32)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448975
PNG
(US10696682, Compound 38)
Show SMILES O=C1NCC2(CCCC2)N2C3N=C(Nc4ccc(cn4)N4CCCCC4)N=CC3C=C12
Show InChI InChI=1S/C23H29N7O/c31-21-18-12-16-13-25-22(28-20(16)30(18)23(15-26-21)8-2-3-9-23)27-19-7-6-17(14-24-19)29-10-4-1-5-11-29/h6-7,12-14,16,20H,1-5,8-11,15H2,(H,26,31)(H,24,27,28)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448982
PNG
(US10696682, Compound 8)
Show SMILES CC(C)C1CNC(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCNCC4)=NC3N12
Show InChI InChI=1S/C21H28N8O/c1-13(2)17-12-24-20(30)16-9-14-10-25-21(27-19(14)29(16)17)26-18-4-3-15(11-23-18)28-7-5-22-6-8-28/h3-4,9-11,13-14,17,19,22H,5-8,12H2,1-2H3,(H,24,30)(H,23,26,27)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM449000
PNG
(US10696682, Compound 3)
Show SMILES O=C1NCCN2C3N=C(Nc4ccc(cn4)N4CCNCC4)N=CC3C=C12
Show InChI InChI=1S/C18H22N8O/c27-17-14-9-12-10-22-18(24-16(12)26(14)8-5-20-17)23-15-2-1-13(11-21-15)25-6-3-19-4-7-25/h1-2,9-12,16,19H,3-8H2,(H,20,27)(H,21,23,24)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448993
PNG
(US10696682, Compound 31)
Show SMILES CN1CC2(CCCC2)N2C3N=C(Nc4ccc(cn4)N4CCNCC4)N=CC3C=C2C1=O
Show InChI InChI=1S/C23H30N8O/c1-29-15-23(6-2-3-7-23)31-18(21(29)32)12-16-13-26-22(28-20(16)31)27-19-5-4-17(14-25-19)30-10-8-24-9-11-30/h4-5,12-14,16,20,24H,2-3,6-11,15H2,1H3,(H,25,27,28)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448965
PNG
(US10696682, Compound 48)
Show SMILES CN1CCN(CC1)c1ccc(NC2=NC3C(C=C4N3[C@H]3CCC[C@@H]3NC4=O)C=N2)nc1
Show InChI InChI=1S/C22H28N8O/c1-28-7-9-29(10-8-28)15-5-6-19(23-13-15)26-22-24-12-14-11-18-21(31)25-16-3-2-4-17(16)30(18)20(14)27-22/h5-6,11-14,16-17,20H,2-4,7-10H2,1H3,(H,25,31)(H,23,26,27)/t14?,16-,17-,20?/m0/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448997
PNG
(US10696682, Compound 7)
Show SMILES CC(C)C1CNC(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCN(C)CC4)=NC3N12
Show InChI InChI=1S/C22H30N8O/c1-14(2)18-13-24-21(31)17-10-15-11-25-22(27-20(15)30(17)18)26-19-5-4-16(12-23-19)29-8-6-28(3)7-9-29/h4-5,10-12,14-15,18,20H,6-9,13H2,1-3H3,(H,24,31)(H,23,26,27)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448989
PNG
(US10696682, Compound 47)
Show SMILES CC(C)CC1CN(C)C(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCNCC4)=NC3N12
Show InChI InChI=1S/C23H32N8O/c1-15(2)10-18-14-29(3)22(32)19-11-16-12-26-23(28-21(16)31(18)19)27-20-5-4-17(13-25-20)30-8-6-24-7-9-30/h4-5,11-13,15-16,18,21,24H,6-10,14H2,1-3H3,(H,25,27,28)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM449001
PNG
(US10696682, Compound 5)
Show SMILES CN1CCN2C3N=C(Nc4ccc(cn4)N4CCNCC4)N=CC3C=C2C1=O
Show InChI InChI=1S/C19H24N8O/c1-25-8-9-27-15(18(25)28)10-13-11-22-19(24-17(13)27)23-16-3-2-14(12-21-16)26-6-4-20-5-7-26/h2-3,10-13,17,20H,4-9H2,1H3,(H,21,23,24)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448990
PNG
(US10696682, Compound 6)
Show SMILES CC(C)C1CN(C)C(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCN(CC4)C(=O)OC(C)(C)C)=NC3N12
Show InChI InChI=1S/C27H38N8O3/c1-17(2)21-16-32(6)24(36)20-13-18-14-29-25(31-23(18)35(20)21)30-22-8-7-19(15-28-22)33-9-11-34(12-10-33)26(37)38-27(3,4)5/h7-8,13-15,17-18,21,23H,9-12,16H2,1-6H3,(H,28,30,31)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448988
PNG
(US10696682, Compound 18)
Show SMILES CCC(C)[C@H]1CN(C)C(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCN(C)CC4)=NC3N12
Show InChI InChI=1S/C24H34N8O/c1-5-16(2)20-15-30(4)23(33)19-12-17-13-26-24(28-22(17)32(19)20)27-21-7-6-18(14-25-21)31-10-8-29(3)9-11-31/h6-7,12-14,16-17,20,22H,5,8-11,15H2,1-4H3,(H,25,27,28)/t16?,17?,20-,22?/m1/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448985
PNG
(US10696682, Compound 19)
Show SMILES CCC(C)[C@H]1CN(C)C(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCNCC4)=NC3N12
Show InChI InChI=1S/C23H32N8O/c1-4-15(2)19-14-29(3)22(32)18-11-16-12-26-23(28-21(16)31(18)19)27-20-6-5-17(13-25-20)30-9-7-24-8-10-30/h5-6,11-13,15-16,19,21,24H,4,7-10,14H2,1-3H3,(H,25,27,28)/t15?,16?,19-,21?/m1/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448995
PNG
(US10696682, Compound 11)
Show SMILES CC(C)[C@H]1CN(C)C(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCNCC4)=NC3N12
Show InChI InChI=1S/C22H30N8O/c1-14(2)18-13-28(3)21(31)17-10-15-11-25-22(27-20(15)30(17)18)26-19-5-4-16(12-24-19)29-8-6-23-7-9-29/h4-5,10-12,14-15,18,20,23H,6-9,13H2,1-3H3,(H,24,26,27)/t15?,18-,20?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM331846
PNG
(US10189849, Compound 1 | US10696682, Compound 1 | ...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCCn4c3n2)nc1
Show InChI InChI=1S/C19H22N8O/c1-25-6-8-26(9-7-25)14-2-3-16(21-12-14)23-19-22-11-13-10-15-18(28)20-4-5-27(15)17(13)24-19/h2-3,10-12H,4-9H2,1H3,(H,20,28)(H,21,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448998
PNG
(US10696682, Compound 14)
Show SMILES CN1CCN(CC1)c1ccc(NC2=NC3C(C=C4N3CCNC4=O)C=N2)nc1
Show InChI InChI=1S/C19H24N8O/c1-25-6-8-26(9-7-25)14-2-3-16(21-12-14)23-19-22-11-13-10-15-18(28)20-4-5-27(15)17(13)24-19/h2-3,10-13,17H,4-9H2,1H3,(H,20,28)(H,21,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM448996
PNG
(US10696682, Compound 15)
Show SMILES CC(C)C[C@H]1CN(C)C(=O)C2=CC3C=NC(Nc4ccc(cn4)N4CCNCC4)=NC3N12
Show InChI InChI=1S/C23H32N8O/c1-15(2)10-18-14-29(3)22(32)19-11-16-12-26-23(28-21(16)31(18)19)27-20-5-4-17(13-25-20)30-8-6-24-7-9-30/h4-5,11-13,15-16,18,21,24H,6-10,14H2,1-3H3,(H,25,27,28)/t16?,18-,21?/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic ...


US Patent US10696682 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%