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Patent code US9464092

Compile Data Set for Download or QSAR

Found 229 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/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253910
PNG
(US9464092, B | US9527857, B)
Show SMILES C[C@H]1CN(CCN1CC1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C28H36N8O/c1-19-16-35(12-11-34(19)17-20-5-6-20)22-7-8-24(29-15-22)32-27-30-14-21-13-23-26(37)31-18-28(9-3-2-4-10-28)36(23)25(21)33-27/h7-8,13-15,19-20H,2-6,9-12,16-18H2,1H3,(H,31,37)(H,29,30,32,33)/t19-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253926
PNG
(US9464092, R | US9527857, R)
Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C25H32N8O/c1-17-15-32(11-10-31(17)2)19-6-7-21(26-14-19)29-24-27-13-18-12-20-23(34)28-16-25(8-4-3-5-9-25)33(20)22(18)30-24/h6-7,12-14,17H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,29,30)/t17-/m0/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253935
PNG
(US9464092, AA | US9527857, AA)
Show SMILES CC(C)N1CCN(C[C@@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C27H36N8O/c1-18(2)34-12-11-33(16-19(34)3)21-7-8-23(28-15-21)31-26-29-14-20-13-22-25(36)30-17-27(9-5-4-6-10-27)35(22)24(20)32-26/h7-8,13-15,18-19H,4-6,9-12,16-17H2,1-3H3,(H,30,36)(H,28,29,31,32)/t19-/m0/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253925
PNG
(US10189849, Compound 28 | US10927120, Compound 28 ...)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21
Show InChI InChI=1S/C23H28N8O/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/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29)
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n/an/a 0.600n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253925
PNG
(US10189849, Compound 28 | US10927120, Compound 28 ...)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21
Show InChI InChI=1S/C23H28N8O/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/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29)
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n/an/a 0.627n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253929
PNG
(US9464092, U | US9527857, U)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21
Show InChI InChI=1S/C28H36N8O2/c37-26-23-16-20-17-30-27(33-25(20)36(23)28(19-31-26)8-2-1-3-9-28)32-24-5-4-22(18-29-24)34-10-6-21(7-11-34)35-12-14-38-15-13-35/h4-5,16-18,21H,1-3,6-15,19H2,(H,31,37)(H,29,30,32,33)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253929
PNG
(US9464092, U | US9527857, U)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21
Show InChI InChI=1S/C28H36N8O2/c37-26-23-16-20-17-30-27(33-25(20)36(23)28(19-31-26)8-2-1-3-9-28)32-24-5-4-22(18-29-24)34-10-6-21(7-11-34)35-12-14-38-15-13-35/h4-5,16-18,21H,1-3,6-15,19H2,(H,31,37)(H,29,30,32,33)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253918
PNG
(US9464092, J | US9527857, J)
Show SMILES C[C@@H](O)CN1CCN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C27H36N8O2/c1-18-15-34(11-10-33(18)16-19(2)36)21-6-7-23(28-14-21)31-26-29-13-20-12-22-25(37)30-17-27(8-4-3-5-9-27)35(22)24(20)32-26/h6-7,12-14,18-19,36H,3-5,8-11,15-17H2,1-2H3,(H,30,37)(H,28,29,31,32)/t18-,19-/m1/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253957
PNG
(US10189849, Compound 39 | US10927120, Compound 39 ...)
Show SMILES O=C1NCC2(CCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21
Show InChI InChI=1S/C27H34N8O2/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/h3-4,15-17,20H,1-2,5-14,18H2,(H,30,36)(H,28,29,31,32)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253976
PNG
(US9464092, PPP)
Show SMILES CC1CN(CC(C)N1CCC(C)(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
Show InChI InChI=1S/C30H42N8O/c1-20-17-36(18-21(2)37(20)13-12-29(3,4)5)23-8-9-25(31-16-23)34-28-32-15-22-14-24-27(39)33-19-30(10-6-7-11-30)38(24)26(22)35-28/h8-9,14-16,20-21H,6-7,10-13,17-19H2,1-5H3,(H,33,39)(H,31,32,34,35)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253954
PNG
(US9464092, TT | US9527857, TT)
Show SMILES CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nn1
Show InChI InChI=1S/C25H33N9O/c1-17(2)32-10-12-33(13-11-32)21-7-6-20(30-31-21)28-24-26-15-18-14-19-23(35)27-16-25(8-4-3-5-9-25)34(19)22(18)29-24/h6-7,14-15,17H,3-5,8-13,16H2,1-2H3,(H,27,35)(H,26,28,29,30)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253936
PNG
(US9464092, BB | US9527857, BB)
Show SMILES CC1(C)CN(CCN1C1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C28H36N8O/c1-27(2)18-34(12-13-35(27)20-6-7-20)21-8-9-23(29-16-21)32-26-30-15-19-14-22-25(37)31-17-28(10-4-3-5-11-28)36(22)24(19)33-26/h8-9,14-16,20H,3-7,10-13,17-18H2,1-2H3,(H,31,37)(H,29,30,32,33)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253928
PNG
(US10189849, Compound 27 | US10927120, Compound 27 ...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/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/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253953
PNG
(US9464092, SS | US9527857, SS)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nn1
Show InChI InChI=1S/C25H33N9O/c1-32(2)18-8-12-33(13-9-18)21-7-6-20(30-31-21)28-24-26-15-17-14-19-23(35)27-16-25(10-4-3-5-11-25)34(19)22(17)29-24/h6-7,14-15,18H,3-5,8-13,16H2,1-2H3,(H,27,35)(H,26,28,29,30)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253928
PNG
(US10189849, Compound 27 | US10927120, Compound 27 ...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/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/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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n/an/a 0.821n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM253929
PNG
(US9464092, U | US9527857, U)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21
Show InChI InChI=1S/C28H36N8O2/c37-26-23-16-20-17-30-27(33-25(20)36(23)28(19-31-26)8-2-1-3-9-28)32-24-5-4-22(18-29-24)34-10-6-21(7-11-34)35-12-14-38-15-13-35/h4-5,16-18,21H,1-3,6-15,19H2,(H,31,37)(H,29,30,32,33)
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n/an/a 0.857n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253912
PNG
(US9464092, D | US9527857, D)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C26H34N8O/c1-25(2)17-33(12-11-32(25)3)19-7-8-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(9-5-4-6-10-26)34(20)22(18)31-24/h7-8,13-15H,4-6,9-12,16-17H2,1-3H3,(H,29,35)(H,27,28,30,31)
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n/an/a 0.900n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253932
PNG
(US9464092, X | US9527857, X)
Show SMILES FC(F)(F)C1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C30H37F3N8O/c31-30(32,33)21-6-12-39(13-7-21)22-8-14-40(15-9-22)23-4-5-25(34-18-23)37-28-35-17-20-16-24-27(42)36-19-29(10-2-1-3-11-29)41(24)26(20)38-28/h4-5,16-18,21-22H,1-3,6-15,19H2,(H,36,42)(H,34,35,37,38)
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n/an/a 0.900n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253919
PNG
(US9464092, K | US9527857, K)
Show SMILES CC1CCN(C1)C1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C29H38N8O/c1-20-7-12-36(18-20)22-8-13-35(14-9-22)23-5-6-25(30-17-23)33-28-31-16-21-15-24-27(38)32-19-29(10-3-2-4-11-29)37(24)26(21)34-28/h5-6,15-17,20,22H,2-4,7-14,18-19H2,1H3,(H,32,38)(H,30,31,33,34)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253913
PNG
(US9464092, E | US9527857, E)
Show SMILES CC(C)C1CN(CCN1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C26H34N8O/c1-17(2)20-15-33(11-10-27-20)19-6-7-22(28-14-19)31-25-29-13-18-12-21-24(35)30-16-26(8-4-3-5-9-26)34(21)23(18)32-25/h6-7,12-14,17,20,27H,3-5,8-11,15-16H2,1-2H3,(H,30,35)(H,28,29,31,32)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253922
PNG
(US9464092, N | US9527857, N)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCCCC3)nc21
Show InChI InChI=1S/C29H38N8O/c38-27-24-17-21-18-31-28(34-26(21)37(24)29(20-32-27)11-3-1-4-12-29)33-25-8-7-23(19-30-25)36-15-9-22(10-16-36)35-13-5-2-6-14-35/h7-8,17-19,22H,1-6,9-16,20H2,(H,32,38)(H,30,31,33,34)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253941
PNG
(US9464092, GG | US9527857, GG)
Show SMILES CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C26H34N8O/c1-18(2)32-10-12-33(13-11-32)20-6-7-22(27-16-20)30-25-28-15-19-14-21-24(35)29-17-26(8-4-3-5-9-26)34(21)23(19)31-25/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,29,35)(H,27,28,30,31)
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n/an/a 1n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253941
PNG
(US9464092, GG | US9527857, GG)
Show SMILES CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C26H34N8O/c1-18(2)32-10-12-33(13-11-32)20-6-7-22(27-16-20)30-25-28-15-19-14-21-24(35)29-17-26(8-4-3-5-9-26)34(21)23(19)31-25/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,29,35)(H,27,28,30,31)
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n/an/a 1.06n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM253925
PNG
(US10189849, Compound 28 | US10927120, Compound 28 ...)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21
Show InChI InChI=1S/C23H28N8O/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/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253940
PNG
(US9464092, FF | US9527857, FF)
Show SMILES CCN1[C@@H](C)CN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C27H36N8O/c1-4-34-18(2)15-33(16-19(34)3)21-8-9-23(28-14-21)31-26-29-13-20-12-22-25(36)30-17-27(10-6-5-7-11-27)35(22)24(20)32-26/h8-9,12-14,18-19H,4-7,10-11,15-17H2,1-3H3,(H,30,36)(H,28,29,31,32)/t18-,19+
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253952
PNG
(US9464092, RR | US9527857, RR)
Show SMILES CCN(CC)C1CCN(C1)C1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C32H45N9O/c1-3-38(4-2)26-12-17-40(21-26)24-10-15-39(16-11-24)25-8-9-28(33-20-25)36-31-34-19-23-18-27-30(42)35-22-32(13-6-5-7-14-32)41(27)29(23)37-31/h8-9,18-20,24,26H,3-7,10-17,21-22H2,1-2H3,(H,35,42)(H,33,34,36,37)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253958
PNG
(US9464092, XX | US9527857, XX)
Show SMILES C[C@H](O)CN1CCN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C26H34N8O2/c1-17-14-33(10-9-32(17)15-18(2)35)20-5-6-22(27-13-20)30-25-28-12-19-11-21-24(36)29-16-26(7-3-4-8-26)34(21)23(19)31-25/h5-6,11-13,17-18,35H,3-4,7-10,14-16H2,1-2H3,(H,29,36)(H,27,28,30,31)/t17-,18+/m1/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253971
PNG
(US9464092, KKK | US9527857, KKK)
Show SMILES CC(C)(C)CCN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
Show InChI InChI=1S/C28H38N8O/c1-27(2,3)10-11-34-12-14-35(15-13-34)21-6-7-23(29-18-21)32-26-30-17-20-16-22-25(37)31-19-28(8-4-5-9-28)36(22)24(20)33-26/h6-7,16-18H,4-5,8-15,19H2,1-3H3,(H,31,37)(H,29,30,32,33)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253974
PNG
(US9464092, NNN | US9527857, NNN)
Show SMILES CC1CN(CCN1CC1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
Show InChI InChI=1S/C27H34N8O/c1-18-15-34(11-10-33(18)16-19-4-5-19)21-6-7-23(28-14-21)31-26-29-13-20-12-22-25(36)30-17-27(8-2-3-9-27)35(22)24(20)32-26/h6-7,12-14,18-19H,2-5,8-11,15-17H2,1H3,(H,30,36)(H,28,29,31,32)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253911
PNG
(US9464092, C | US9527857, C)
Show SMILES C[C@H](O)CN1CCN(C[C@@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C27H36N8O2/c1-18-15-34(11-10-33(18)16-19(2)36)21-6-7-23(28-14-21)31-26-29-13-20-12-22-25(37)30-17-27(8-4-3-5-9-27)35(22)24(20)32-26/h6-7,12-14,18-19,36H,3-5,8-11,15-17H2,1-2H3,(H,30,37)(H,28,29,31,32)/t18-,19-/m0/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253944
PNG
(US9464092, JJ | US9527857, JJ)
Show SMILES CCN(CC)C1CCN(C1)C(=O)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C28H36N8O2/c1-3-34(4-2)21-10-13-35(17-21)26(38)19-8-9-23(29-15-19)32-27-30-16-20-14-22-25(37)31-18-28(11-6-5-7-12-28)36(22)24(20)33-27/h8-9,14-16,21H,3-7,10-13,17-18H2,1-2H3,(H,31,37)(H,29,30,32,33)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM253929
PNG
(US9464092, U | US9527857, U)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21
Show InChI InChI=1S/C28H36N8O2/c37-26-23-16-20-17-30-27(33-25(20)36(23)28(19-31-26)8-2-1-3-9-28)32-24-5-4-22(18-29-24)34-10-6-21(7-11-34)35-12-14-38-15-13-35/h4-5,16-18,21H,1-3,6-15,19H2,(H,31,37)(H,29,30,32,33)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253916
PNG
(US9464092, H | US9527857, H)
Show SMILES CC1(C)CN(CCN1CC1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C29H38N8O/c1-28(2)19-35(12-13-36(28)17-20-6-7-20)22-8-9-24(30-16-22)33-27-31-15-21-14-23-26(38)32-18-29(10-4-3-5-11-29)37(23)25(21)34-27/h8-9,14-16,20H,3-7,10-13,17-19H2,1-2H3,(H,32,38)(H,30,31,33,34)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253915
PNG
(US9464092, G | US9527857, G)
Show SMILES CC1CN(CCN1CCC(C)(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C30H42N8O/c1-21-19-37(15-14-36(21)13-12-29(2,3)4)23-8-9-25(31-18-23)34-28-32-17-22-16-24-27(39)33-20-30(10-6-5-7-11-30)38(24)26(22)35-28/h8-9,16-18,21H,5-7,10-15,19-20H2,1-4H3,(H,33,39)(H,31,32,34,35)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253914
PNG
(US9464092, F | US9527857, F)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCN(CC3)C3CCC3)nc21
Show InChI InChI=1S/C27H34N8O/c36-25-22-15-19-16-29-26(32-24(19)35(22)27(18-30-25)9-2-1-3-10-27)31-23-8-7-21(17-28-23)34-13-11-33(12-14-34)20-5-4-6-20/h7-8,15-17,20H,1-6,9-14,18H2,(H,30,36)(H,28,29,31,32)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM253941
PNG
(US9464092, GG | US9527857, GG)
Show SMILES CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C26H34N8O/c1-18(2)32-10-12-33(13-11-32)20-6-7-22(27-16-20)30-25-28-15-19-14-21-24(35)29-17-26(8-4-3-5-9-26)34(21)23(19)31-25/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,29,35)(H,27,28,30,31)
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n/an/a 1.51n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253937
PNG
(US9464092, CC | US9527857, CC)
Show SMILES CCN(CC)C1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C28H38N8O/c1-3-34(4-2)21-10-14-35(15-11-21)22-8-9-24(29-18-22)32-27-30-17-20-16-23-26(37)31-19-28(12-6-5-7-13-28)36(23)25(20)33-27/h8-9,16-18,21H,3-7,10-15,19H2,1-2H3,(H,31,37)(H,29,30,32,33)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM253928
PNG
(US10189849, Compound 27 | US10927120, Compound 27 ...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/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/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM253928
PNG
(US10189849, Compound 27 | US10927120, Compound 27 ...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/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/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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n/an/a 1.67n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253942
PNG
(US9464092, HH | US9527857, HH)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCN(CC4CC4)CC3)nc21
Show InChI InChI=1S/C27H34N8O/c36-25-22-14-20-15-29-26(32-24(20)35(22)27(18-30-25)8-2-1-3-9-27)31-23-7-6-21(16-28-23)34-12-10-33(11-13-34)17-19-4-5-19/h6-7,14-16,19H,1-5,8-13,17-18H2,(H,30,36)(H,28,29,31,32)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253927
PNG
(US9464092, S | US9527857, S)
Show SMILES C[C@@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C26H34N8O2/c1-18(35)16-32-9-11-33(12-10-32)20-5-6-22(27-15-20)30-25-28-14-19-13-21-24(36)29-17-26(7-3-2-4-8-26)34(21)23(19)31-25/h5-6,13-15,18,35H,2-4,7-12,16-17H2,1H3,(H,29,36)(H,27,28,30,31)/t18-/m1/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253947
PNG
(US9464092, MM | US9527857, MM)
Show SMILES C[C@@H](O)CN1[C@@H](C)CN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C28H38N8O2/c1-18-14-34(15-19(2)35(18)16-20(3)37)22-7-8-24(29-13-22)32-27-30-12-21-11-23-26(38)31-17-28(9-5-4-6-10-28)36(23)25(21)33-27/h7-8,11-13,18-20,37H,4-6,9-10,14-17H2,1-3H3,(H,31,38)(H,29,30,32,33)/t18-,19+,20-/m1/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253938
PNG
(US9464092, DD | US9527857, DD)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C26H34N8O/c1-17-14-33(15-18(2)32(17)3)20-7-8-22(27-13-20)30-25-28-12-19-11-21-24(35)29-16-26(9-5-4-6-10-26)34(21)23(19)31-25/h7-8,11-13,17-18H,4-6,9-10,14-16H2,1-3H3,(H,29,35)(H,27,28,30,31)/t17-,18+
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253946
PNG
(US9464092, LL | US9527857, LL)
Show SMILES O=C(N1CCN(CC1)C1CCC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C28H34N8O2/c37-25-22-15-20-17-30-27(33-24(20)36(22)28(18-31-25)9-2-1-3-10-28)32-23-8-7-19(16-29-23)26(38)35-13-11-34(12-14-35)21-5-4-6-21/h7-8,15-17,21H,1-6,9-14,18H2,(H,31,37)(H,29,30,32,33)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253963
PNG
(US9464092, CCC | US9527857, CCC)
Show SMILES CC(C)(C)CCN1CCN(CC1(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
Show InChI InChI=1S/C30H42N8O/c1-28(2,3)12-13-37-15-14-36(20-29(37,4)5)22-8-9-24(31-18-22)34-27-32-17-21-16-23-26(39)33-19-30(10-6-7-11-30)38(23)25(21)35-27/h8-9,16-18H,6-7,10-15,19-20H2,1-5H3,(H,33,39)(H,31,32,34,35)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253979
PNG
(US10189849, Compound 33 | US10927120, Compound 33 ...)
Show SMILES O=C1NCC2(CCCC2)n2c1cc1cnc(Nc3ccc(nn3)N3CCOCC3)nc21
Show InChI InChI=1S/C21H24N8O2/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/h3-4,11-12H,1-2,5-10,13H2,(H,23,30)(H,22,24,25,26)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253943
PNG
(US9464092, II | US9527857, II)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C27H34N8O2/c1-18(2)33-10-12-34(13-11-33)25(37)19-6-7-22(28-15-19)31-26-29-16-20-14-21-24(36)30-17-27(8-4-3-5-9-27)35(21)23(20)32-26/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,30,36)(H,28,29,31,32)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253917
PNG
(US9464092, I | US9527857, I)
Show SMILES CC1(C)CN(CCN1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C25H32N8O/c1-24(2)16-32(11-10-29-24)18-6-7-20(26-14-18)30-23-27-13-17-12-19-22(34)28-15-25(8-4-3-5-9-25)33(19)21(17)31-23/h6-7,12-14,29H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,30,31)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253921
PNG
(US9464092, M | US9527857, M)
Show SMILES C[C@H]1CN(CCN1CCC(C)(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C30H42N8O/c1-21-19-37(15-14-36(21)13-12-29(2,3)4)23-8-9-25(31-18-23)34-28-32-17-22-16-24-27(39)33-20-30(10-6-5-7-11-30)38(24)26(22)35-28/h8-9,16-18,21H,5-7,10-15,19-20H2,1-4H3,(H,33,39)(H,31,32,34,35)/t21-/m0/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253965
PNG
(US9464092, EEE | US9527857, EEE)
Show SMILES CC(C)(O)CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
Show InChI InChI=1S/C26H34N8O2/c1-25(2,36)17-32-9-11-33(12-10-32)19-5-6-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(7-3-4-8-26)34(20)22(18)31-24/h5-6,13-15,36H,3-4,7-12,16-17H2,1-2H3,(H,29,35)(H,27,28,30,31)
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US Patent
n/an/a 2.30n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
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Ligand-Target Pair
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* indicates data uncertainty>20%