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Patent code US10696678

Compile Data Set for Download or QSAR
Found 154 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
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50110183
PNG
(ABEMACICLIB | Abemaciclib | LY-2835219 | US1066218...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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US Patent
n/an/a 56n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448933
PNG
(N-(5-(4-Aminopiperidine-1-yl)pyridin-2-yl)-5-fluor...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCC(N)CC2)ncc1F
Show InChI InChI=1S/C26H28F2N8/c1-26(2)8-5-22-33-24-18(27)11-15(12-20(24)36(22)26)23-19(28)14-31-25(34-23)32-21-4-3-17(13-30-21)35-9-6-16(29)7-10-35/h3-4,11-14,16H,5-10,29H2,1-2H3,(H,30,31,32,34)
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n/an/a 64n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448924
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C25H26F2N8/c1-25(2)6-5-21-32-23-17(26)11-15(12-19(23)35(21)25)22-18(27)14-30-24(33-22)31-20-4-3-16(13-29-20)34-9-7-28-8-10-34/h3-4,11-14,28H,5-10H2,1-2H3,(H,29,30,31,33)
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n/an/a 86.6n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448979
PNG
(N-(5-(3,5-Dimethylpiperazin-1-yl)pyridin-2-yl)-5-f...)
Show SMILES CC1CN(CC(C)N1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C27H30F2N8/c1-15-13-36(14-16(2)32-15)18-5-6-22(30-11-18)33-26-31-12-20(29)24(35-26)17-9-19(28)25-21(10-17)37-23(34-25)7-8-27(37,3)4/h5-6,9-12,15-16,32H,7-8,13-14H2,1-4H3,(H,30,31,33,35)
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n/an/a 94.8n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448930
PNG
(4-(1,1-Dimethyl-2,3-dihydro-1H-benzo[d]pyrrolo[1,2...)
Show SMILES CC1(C)CCc2nc3ccc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C25H27FN8/c1-25(2)8-7-22-30-19-5-3-16(13-20(19)34(22)25)23-18(26)15-29-24(32-23)31-21-6-4-17(14-28-21)33-11-9-27-10-12-33/h3-6,13-15,27H,7-12H2,1-2H3,(H,28,29,31,32)
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n/an/a 109n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448945
PNG
((R)-5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-...)
Show SMILES C[C@@H]1CN(CCN1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C26H28F2N8/c1-15-14-35(9-8-29-15)17-4-5-21(30-12-17)32-25-31-13-19(28)23(34-25)16-10-18(27)24-20(11-16)36-22(33-24)6-7-26(36,2)3/h4-5,10-13,15,29H,6-9,14H2,1-3H3,(H,30,31,32,34)/t15-/m1/s1
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448962
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1CN(CCN1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C26H28F2N8/c1-15-14-35(9-8-29-15)17-4-5-21(30-12-17)32-25-31-13-19(28)23(34-25)16-10-18(27)24-20(11-16)36-22(33-24)6-7-26(36,2)3/h4-5,10-13,15,29H,6-9,14H2,1-3H3,(H,30,31,32,34)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448944
PNG
((S)-5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-...)
Show SMILES C[C@H]1CN(CCN1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C26H28F2N8/c1-15-14-35(9-8-29-15)17-4-5-21(30-12-17)32-25-31-13-19(28)23(34-25)16-10-18(27)24-20(11-16)36-22(33-24)6-7-26(36,2)3/h4-5,10-13,15,29H,6-9,14H2,1-3H3,(H,30,31,32,34)/t15-/m0/s1
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448944
PNG
((S)-5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-...)
Show SMILES C[C@H]1CN(CCN1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C26H28F2N8/c1-15-14-35(9-8-29-15)17-4-5-21(30-12-17)32-25-31-13-19(28)23(34-25)16-10-18(27)24-20(11-16)36-22(33-24)6-7-26(36,2)3/h4-5,10-13,15,29H,6-9,14H2,1-3H3,(H,30,31,32,34)/t15-/m0/s1
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448944
PNG
((S)-5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-...)
Show SMILES C[C@H]1CN(CCN1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C26H28F2N8/c1-15-14-35(9-8-29-15)17-4-5-21(30-12-17)32-25-31-13-19(28)23(34-25)16-10-18(27)24-20(11-16)36-22(33-24)6-7-26(36,2)3/h4-5,10-13,15,29H,6-9,14H2,1-3H3,(H,30,31,32,34)/t15-/m0/s1
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448945
PNG
((R)-5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-...)
Show SMILES C[C@@H]1CN(CCN1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C26H28F2N8/c1-15-14-35(9-8-29-15)17-4-5-21(30-12-17)32-25-31-13-19(28)23(34-25)16-10-18(27)24-20(11-16)36-22(33-24)6-7-26(36,2)3/h4-5,10-13,15,29H,6-9,14H2,1-3H3,(H,30,31,32,34)/t15-/m1/s1
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448979
PNG
(N-(5-(3,5-Dimethylpiperazin-1-yl)pyridin-2-yl)-5-f...)
Show SMILES CC1CN(CC(C)N1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C27H30F2N8/c1-15-13-36(14-16(2)32-15)18-5-6-22(30-11-18)33-26-31-12-20(29)24(35-26)17-9-19(28)25-21(10-17)37-23(34-25)7-8-27(37,3)4/h5-6,9-12,15-16,32H,7-8,13-14H2,1-4H3,(H,30,31,33,35)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448948
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C26H28F2N8/c1-26(2)7-6-22-32-24-18(27)12-16(13-20(24)36(22)26)23-19(28)15-30-25(33-23)31-21-5-4-17(14-29-21)35-10-8-34(3)9-11-35/h4-5,12-15H,6-11H2,1-3H3,(H,29,30,31,33)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448947
PNG
(2-(4-(6-((5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-di...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(CCO)CC2)ncc1F
Show InChI InChI=1S/C27H30F2N8O/c1-27(2)6-5-23-33-25-19(28)13-17(14-21(25)37(23)27)24-20(29)16-31-26(34-24)32-22-4-3-18(15-30-22)36-9-7-35(8-10-36)11-12-38/h3-4,13-16,38H,5-12H2,1-2H3,(H,30,31,32,34)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448936
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES Cc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)ccc1N1CCNCC1
Show InChI InChI=1S/C26H28F2N8/c1-15-19(35-10-8-29-9-11-35)4-5-21(31-15)32-25-30-14-18(28)23(34-25)16-12-17(27)24-20(13-16)36-22(33-24)6-7-26(36,2)3/h4-5,12-14,29H,6-11H2,1-3H3,(H,30,31,32,34)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50455057
PNG
(CHEMBL4215702 | US10696678, Example 20)
Show SMILES CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8/c1-27(2)7-6-23-33-25-19(28)12-18(13-21(25)37(23)27)24-20(29)15-31-26(34-24)32-22-5-4-17(14-30-22)16-36-10-8-35(3)9-11-36/h4-5,12-15H,6-11,16H2,1-3H3,(H,30,31,32,34)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448940
PNG
(N-(5-(4-Ethylpiperazin-1-yl)pyridin-2-yl)-5-fluoro...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C27H30F2N8/c1-4-35-9-11-36(12-10-35)18-5-6-22(30-15-18)32-26-31-16-20(29)24(34-26)17-13-19(28)25-21(14-17)37-23(33-25)7-8-27(37,2)3/h5-6,13-16H,4,7-12H2,1-3H3,(H,30,31,32,34)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448924
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C25H26F2N8/c1-25(2)6-5-21-32-23-17(26)11-15(12-19(23)35(21)25)22-18(27)14-30-24(33-22)31-20-4-3-16(13-29-20)34-9-7-28-8-10-34/h3-4,11-14,28H,5-10H2,1-2H3,(H,29,30,31,33)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448962
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1CN(CCN1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C26H28F2N8/c1-15-14-35(9-8-29-15)17-4-5-21(30-12-17)32-25-31-13-19(28)23(34-25)16-10-18(27)24-20(11-16)36-22(33-24)6-7-26(36,2)3/h4-5,10-13,15,29H,6-9,14H2,1-3H3,(H,30,31,32,34)
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n/an/a 481n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448951
PNG
((S)-5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-...)
Show SMILES C[C@H]1CN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CCN1
Show InChI InChI=1S/C27H30F2N8/c1-16-14-36(9-8-30-16)15-17-4-5-22(31-12-17)33-26-32-13-20(29)24(35-26)18-10-19(28)25-21(11-18)37-23(34-25)6-7-27(37,2)3/h4-5,10-13,16,30H,6-9,14-15H2,1-3H3,(H,31,32,33,35)/t16-/m0/s1
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448945
PNG
((R)-5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-...)
Show SMILES C[C@@H]1CN(CCN1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C26H28F2N8/c1-15-14-35(9-8-29-15)17-4-5-21(30-12-17)32-25-31-13-19(28)23(34-25)16-10-18(27)24-20(11-16)36-22(33-24)6-7-26(36,2)3/h4-5,10-13,15,29H,6-9,14H2,1-3H3,(H,30,31,32,34)/t15-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448930
PNG
(4-(1,1-Dimethyl-2,3-dihydro-1H-benzo[d]pyrrolo[1,2...)
Show SMILES CC1(C)CCc2nc3ccc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C25H27FN8/c1-25(2)8-7-22-30-19-5-3-16(13-20(19)34(22)25)23-18(26)15-29-24(32-23)31-21-6-4-17(14-28-21)33-11-9-27-10-12-33/h3-6,13-15,27H,7-12H2,1-2H3,(H,28,29,31,32)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448932
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F
Show InChI InChI=1S/C26H28F2N8/c1-26(2)6-5-22-33-24-18(27)11-17(12-20(24)36(22)26)23-19(28)14-31-25(34-23)32-21-4-3-16(13-30-21)15-35-9-7-29-8-10-35/h3-4,11-14,29H,5-10,15H2,1-2H3,(H,30,31,32,34)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448979
PNG
(N-(5-(3,5-Dimethylpiperazin-1-yl)pyridin-2-yl)-5-f...)
Show SMILES CC1CN(CC(C)N1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C27H30F2N8/c1-15-13-36(14-16(2)32-15)18-5-6-22(30-11-18)33-26-31-12-20(29)24(35-26)17-9-19(28)25-21(10-17)37-23(34-25)7-8-27(37,3)4/h5-6,9-12,15-16,32H,7-8,13-14H2,1-4H3,(H,30,31,33,35)
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n/an/a 600n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455061
PNG
(CHEMBL4211828 | US10696678, Example 65)
Show SMILES CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C28H32F2N8/c1-17(2)37-10-8-36(9-11-37)16-19-5-6-24(31-14-19)33-28-32-15-22(30)26(35-28)20-12-21(29)27-23(13-20)38-18(3)4-7-25(38)34-27/h5-6,12-15,17-18H,4,7-11,16H2,1-3H3,(H,31,32,33,35)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50455051
PNG
(CHEMBL4210028 | US10696678, Example 24)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc5CCC(C)(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C28H33FN8/c1-4-35-11-13-36(14-12-35)18-19-5-8-24(30-16-19)33-27-31-17-21(29)26(34-27)20-6-7-22-23(15-20)37-25(32-22)9-10-28(37,2)3/h5-8,15-17H,4,9-14,18H2,1-3H3,(H,30,31,33,34)
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n/an/a 610n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448977
PNG
(4-(5-Fluoro-1-methyl-2,3-dihydro-1H-benzo[d]pyrrol...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C24H25FN8/c1-15-2-5-22-31-23-18(25)12-16(13-20(23)33(15)22)19-6-7-27-24(29-19)30-21-4-3-17(14-28-21)32-10-8-26-9-11-32/h3-4,6-7,12-15,26H,2,5,8-11H2,1H3,(H,27,28,29,30)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448948
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C26H28F2N8/c1-26(2)7-6-22-32-24-18(27)12-16(13-20(24)36(22)26)23-19(28)15-30-25(33-23)31-21-5-4-17(14-29-21)35-10-8-34(3)9-11-35/h4-5,12-15H,6-11H2,1-3H3,(H,29,30,31,33)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448935
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES Cc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)ccc1CC1CCNCC1
Show InChI InChI=1S/C28H31F2N7/c1-16-18(12-17-7-10-31-11-8-17)4-5-23(33-16)34-27-32-15-21(30)25(36-27)19-13-20(29)26-22(14-19)37-24(35-26)6-9-28(37,2)3/h4-5,13-15,17,31H,6-12H2,1-3H3,(H,32,33,34,36)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448952
PNG
((S)—N-(5-((3,4-Dimethylpiperazin-1-yl)methyl)...)
Show SMILES C[C@H]1CN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CCN1C
Show InChI InChI=1S/C28H32F2N8/c1-17-15-37(10-9-36(17)4)16-18-5-6-23(31-13-18)33-27-32-14-21(30)25(35-27)19-11-20(29)26-22(12-19)38-24(34-26)7-8-28(38,2)3/h5-6,11-14,17H,7-10,15-16H2,1-4H3,(H,31,32,33,35)/t17-/m0/s1
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455057
PNG
(CHEMBL4215702 | US10696678, Example 20)
Show SMILES CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8/c1-27(2)7-6-23-33-25-19(28)12-18(13-21(25)37(23)27)24-20(29)15-31-26(34-24)32-22-5-4-17(14-30-22)16-36-10-8-35(3)9-11-36/h4-5,12-15H,6-11,16H2,1-3H3,(H,30,31,32,34)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448947
PNG
(2-(4-(6-((5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-di...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(CCO)CC2)ncc1F
Show InChI InChI=1S/C27H30F2N8O/c1-27(2)6-5-23-33-25-19(28)13-17(14-21(25)37(23)27)24-20(29)16-31-26(34-24)32-22-4-3-18(15-30-22)36-9-7-35(8-10-36)11-12-38/h3-4,13-16,38H,5-12H2,1-2H3,(H,30,31,32,34)
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n/an/a 900n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455050
PNG
(CHEMBL4208172 | US10696678, Example 18)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C28H32F2N8/c1-4-36-9-11-37(12-10-36)17-18-5-6-23(31-15-18)33-27-32-16-21(30)25(35-27)19-13-20(29)26-22(14-19)38-24(34-26)7-8-28(38,2)3/h5-6,13-16H,4,7-12,17H2,1-3H3,(H,31,32,33,35)
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n/an/a 900n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448947
PNG
(2-(4-(6-((5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-di...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(CCO)CC2)ncc1F
Show InChI InChI=1S/C27H30F2N8O/c1-27(2)6-5-23-33-25-19(28)13-17(14-21(25)37(23)27)24-20(29)16-31-26(34-24)32-22-4-3-18(15-30-22)36-9-7-35(8-10-36)11-12-38/h3-4,13-16,38H,5-12H2,1-2H3,(H,30,31,32,34)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455068
PNG
(CHEMBL4205645 | US10696678, Example 22)
Show SMILES CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C28H33FN8/c1-4-35-11-13-36(14-12-35)18-19-5-6-24(31-17-19)33-27-30-10-8-22(32-27)20-15-21(29)26-23(16-20)37-25(34-26)7-9-28(37,2)3/h5-6,8,10,15-17H,4,7,9,11-14,18H2,1-3H3,(H,30,31,32,33)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448976
PNG
(N-(5-(4-(Dimethylamino)piperidine-1-yl)pyridin-2-y...)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C28H32F2N8/c1-28(2)10-7-24-34-26-20(29)13-17(14-22(26)38(24)28)25-21(30)16-32-27(35-25)33-23-6-5-19(15-31-23)37-11-8-18(9-12-37)36(3)4/h5-6,13-16,18H,7-12H2,1-4H3,(H,31,32,33,35)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448964
PNG
(5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C24H24F2N8/c1-14-2-5-21-31-23-17(25)10-15(11-19(23)34(14)21)22-18(26)13-29-24(32-22)30-20-4-3-16(12-28-20)33-8-6-27-7-9-33/h3-4,10-14,27H,2,5-9H2,1H3,(H,28,29,30,32)
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n/an/a 1.04E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448935
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES Cc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)ccc1CC1CCNCC1
Show InChI InChI=1S/C28H31F2N7/c1-16-18(12-17-7-10-31-11-8-17)4-5-23(33-16)34-27-32-15-21(30)25(36-27)19-13-20(29)26-22(14-19)37-24(35-26)6-9-28(37,2)3/h4-5,13-15,17,31H,6-12H2,1-3H3,(H,32,33,34,36)
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n/an/a 1.20E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448922
PNG
(5-Fluoro-4-(4-fluoro-7,8,9,10-tetrahydro-6H-benzo[...)
Show SMILES Fc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1cc(F)c2nc3CCCCCn3c2c1
Show InChI InChI=1S/C25H26F2N8/c26-18-12-16(13-20-24(18)32-22-4-2-1-3-9-35(20)22)23-19(27)15-30-25(33-23)31-21-6-5-17(14-29-21)34-10-7-28-8-11-34/h5-6,12-15,28H,1-4,7-11H2,(H,29,30,31,33)
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n/an/a 1.30E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448932
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F
Show InChI InChI=1S/C26H28F2N8/c1-26(2)6-5-22-33-24-18(27)11-17(12-20(24)36(22)26)23-19(28)14-31-25(34-23)32-21-4-3-16(13-30-21)15-35-9-7-29-8-10-35/h3-4,11-14,29H,5-10,15H2,1-2H3,(H,30,31,32,34)
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n/an/a 1.37E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448958
PNG
(5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNC(C)C2)ncc1F
Show InChI InChI=1S/C25H26F2N8/c1-14-13-34(8-7-28-14)17-4-5-21(29-11-17)31-25-30-12-19(27)23(33-25)16-9-18(26)24-20(10-16)35-15(2)3-6-22(35)32-24/h4-5,9-12,14-15,28H,3,6-8,13H2,1-2H3,(H,29,30,31,33)
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n/an/a 1.40E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448933
PNG
(N-(5-(4-Aminopiperidine-1-yl)pyridin-2-yl)-5-fluor...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCC(N)CC2)ncc1F
Show InChI InChI=1S/C26H28F2N8/c1-26(2)8-5-22-33-24-18(27)11-15(12-20(24)36(22)26)23-19(28)14-31-25(34-23)32-21-4-3-17(13-30-21)35-9-6-16(29)7-10-35/h3-4,11-14,16H,5-10,29H2,1-2H3,(H,30,31,32,34)
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n/an/a 1.40E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50455048
PNG
(CHEMBL4210707 | US10696678, Example 36)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CCF)CC3)cn2)ncc1F
Show InChI InChI=1S/C28H31F3N8/c1-28(2)6-5-24-35-26-20(30)13-19(14-22(26)39(24)28)25-21(31)16-33-27(36-25)34-23-4-3-18(15-32-23)17-38-11-9-37(8-7-29)10-12-38/h3-4,13-16H,5-12,17H2,1-2H3,(H,32,33,34,36)
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n/an/a 1.61E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448951
PNG
((S)-5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-...)
Show SMILES C[C@H]1CN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CCN1
Show InChI InChI=1S/C27H30F2N8/c1-16-14-36(9-8-30-16)15-17-4-5-22(31-12-17)33-26-32-13-20(29)24(35-26)18-10-19(28)25-21(11-18)37-23(34-25)6-7-27(37,2)3/h4-5,10-13,16,30H,6-9,14-15H2,1-3H3,(H,31,32,33,35)/t16-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448967
PNG
(5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CC3CCNCC3)c(C)n2)ncc1F
Show InChI InChI=1S/C27H29F2N7/c1-15-3-6-24-34-26-20(28)12-19(13-22(26)36(15)24)25-21(29)14-31-27(35-25)33-23-5-4-18(16(2)32-23)11-17-7-9-30-10-8-17/h4-5,12-15,17,30H,3,6-11H2,1-2H3,(H,31,32,33,35)
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n/an/a 1.70E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455051
PNG
(CHEMBL4210028 | US10696678, Example 24)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc5CCC(C)(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C28H33FN8/c1-4-35-11-13-36(14-12-35)18-19-5-8-24(30-16-19)33-27-31-17-21(29)26(34-27)20-6-7-22-23(15-20)37-25(32-22)9-10-28(37,2)3/h5-8,15-17H,4,9-14,18H2,1-3H3,(H,30,31,33,34)
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n/an/a 1.70E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50110183
PNG
(ABEMACICLIB | Abemaciclib | LY-2835219 | US1066218...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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US Patent
n/an/a 1.70E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448946
PNG
(5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(N3CCN(C)CC3)c(C)n2)ncc1F
Show InChI InChI=1S/C26H28F2N8/c1-15-4-7-23-32-25-18(27)12-17(13-21(25)36(15)23)24-19(28)14-29-26(33-24)31-22-6-5-20(16(2)30-22)35-10-8-34(3)9-11-35/h5-6,12-15H,4,7-11H2,1-3H3,(H,29,30,31,33)
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n/an/a 1.73E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448958
PNG
(5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNC(C)C2)ncc1F
Show InChI InChI=1S/C25H26F2N8/c1-14-13-34(8-7-28-14)17-4-5-21(29-11-17)31-25-30-12-19(27)23(33-25)16-9-18(26)24-20(10-16)35-15(2)3-6-22(35)32-24/h4-5,9-12,14-15,28H,3,6-8,13H2,1-2H3,(H,29,30,31,33)
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n/an/a 1.80E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448922
PNG
(5-Fluoro-4-(4-fluoro-7,8,9,10-tetrahydro-6H-benzo[...)
Show SMILES Fc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1cc(F)c2nc3CCCCCn3c2c1
Show InChI InChI=1S/C25H26F2N8/c26-18-12-16(13-20-24(18)32-22-4-2-1-3-9-35(20)22)23-19(27)15-30-25(33-23)31-21-6-5-17(14-29-21)34-10-7-28-8-11-34/h5-6,12-15,28H,1-4,7-11H2,(H,29,30,31,33)
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n/an/a 1.90E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50455064
PNG
(CHEMBL4211479 | US10696678, Example 37)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2C)CC1
Show InChI InChI=1S/C29H34F2N8/c1-5-37-10-12-38(13-11-37)17-19-6-7-24(33-18(19)2)34-28-32-16-22(31)26(36-28)20-14-21(30)27-23(15-20)39-25(35-27)8-9-29(39,3)4/h6-7,14-16H,5,8-13,17H2,1-4H3,(H,32,33,34,36)
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n/an/a 1.91E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448936
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES Cc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)ccc1N1CCNCC1
Show InChI InChI=1S/C26H28F2N8/c1-15-19(35-10-8-29-9-11-35)4-5-21(31-15)32-25-30-14-18(28)23(34-25)16-12-17(27)24-20(13-16)36-22(33-24)6-7-26(36,2)3/h4-5,12-14,29H,6-11H2,1-3H3,(H,30,31,32,34)
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n/an/a 2.00E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50455066
PNG
(CHEMBL4212542 | US10696678, Example 60)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8/c1-3-35-8-10-36(11-9-35)16-18-5-6-23(30-14-18)32-27-31-15-21(29)25(34-27)19-12-20(28)26-22(13-19)37-17(2)4-7-24(37)33-26/h5-6,12-15,17H,3-4,7-11,16H2,1-2H3,(H,30,31,32,34)
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n/an/a 2.19E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448952
PNG
((S)—N-(5-((3,4-Dimethylpiperazin-1-yl)methyl)...)
Show SMILES C[C@H]1CN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CCN1C
Show InChI InChI=1S/C28H32F2N8/c1-17-15-37(10-9-36(17)4)16-18-5-6-23(31-13-18)33-27-32-14-21(30)25(35-27)19-11-20(29)26-22(12-19)38-24(34-26)7-8-28(38,2)3/h5-6,11-14,17H,7-10,15-16H2,1-4H3,(H,31,32,33,35)/t17-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455074
PNG
(CHEMBL4217694 | US10696678, Example 67)
Show SMILES CCC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(C)CC3)cn2)ncc1F
Show InChI InChI=1S/C27H30F2N8/c1-3-19-5-7-24-33-26-20(28)12-18(13-22(26)37(19)24)25-21(29)15-31-27(34-25)32-23-6-4-17(14-30-23)16-36-10-8-35(2)9-11-36/h4,6,12-15,19H,3,5,7-11,16H2,1-2H3,(H,30,31,32,34)
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n/an/a 2.40E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50455050
PNG
(CHEMBL4208172 | US10696678, Example 18)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C28H32F2N8/c1-4-36-9-11-37(12-10-36)17-18-5-6-23(31-15-18)33-27-32-16-21(30)25(35-27)19-13-20(29)26-22(14-19)38-24(34-26)7-8-28(38,2)3/h5-6,13-16H,4,7-12,17H2,1-3H3,(H,31,32,33,35)
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n/an/a 2.67E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448933
PNG
(N-(5-(4-Aminopiperidine-1-yl)pyridin-2-yl)-5-fluor...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCC(N)CC2)ncc1F
Show InChI InChI=1S/C26H28F2N8/c1-26(2)8-5-22-33-24-18(27)11-15(12-20(24)36(22)26)23-19(28)14-31-25(34-23)32-21-4-3-17(13-30-21)35-9-6-16(29)7-10-35/h3-4,11-14,16H,5-10,29H2,1-2H3,(H,30,31,32,34)
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n/an/a 2.80E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448930
PNG
(4-(1,1-Dimethyl-2,3-dihydro-1H-benzo[d]pyrrolo[1,2...)
Show SMILES CC1(C)CCc2nc3ccc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C25H27FN8/c1-25(2)8-7-22-30-19-5-3-16(13-20(19)34(22)25)23-18(26)15-29-24(32-23)31-21-6-4-17(14-28-21)33-11-9-27-10-12-33/h3-6,13-15,27H,7-12H2,1-2H3,(H,28,29,31,32)
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n/an/a 2.80E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448952
PNG
((S)—N-(5-((3,4-Dimethylpiperazin-1-yl)methyl)...)
Show SMILES C[C@H]1CN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CCN1C
Show InChI InChI=1S/C28H32F2N8/c1-17-15-37(10-9-36(17)4)16-18-5-6-23(31-13-18)33-27-32-14-21(30)25(35-27)19-11-20(29)26-22(12-19)38-24(34-26)7-8-28(38,2)3/h5-6,11-14,17H,7-10,15-16H2,1-4H3,(H,31,32,33,35)/t17-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448931
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)C2CCNCC2)ncc1F
Show InChI InChI=1S/C26H27F2N7/c1-26(2)8-5-22-33-24-18(27)11-17(12-20(24)35(22)26)23-19(28)14-31-25(34-23)32-21-4-3-16(13-30-21)15-6-9-29-10-7-15/h3-4,11-15,29H,5-10H2,1-2H3,(H,30,31,32,34)
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n/an/a 3.00E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50455061
PNG
(CHEMBL4211828 | US10696678, Example 65)
Show SMILES CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C28H32F2N8/c1-17(2)37-10-8-36(9-11-37)16-19-5-6-24(31-14-19)33-28-32-15-22(30)26(35-28)20-12-21(29)27-23(13-20)38-18(3)4-7-25(38)34-27/h5-6,12-15,17-18H,4,7-11,16H2,1-3H3,(H,31,32,33,35)
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n/an/a 3.07E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448938
PNG
(N-(5-((1-Ethylpiperidine-4-yl)oxy)pyridin-2-yl)-5-...)
Show SMILES CCN1CCC(CC1)Oc1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C28H31F2N7O/c1-4-36-11-8-18(9-12-36)38-19-5-6-23(31-15-19)33-27-32-16-21(30)25(35-27)17-13-20(29)26-22(14-17)37-24(34-26)7-10-28(37,2)3/h5-6,13-16,18H,4,7-12H2,1-3H3,(H,31,32,33,35)
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n/an/a 3.20E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448958
PNG
(5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNC(C)C2)ncc1F
Show InChI InChI=1S/C25H26F2N8/c1-14-13-34(8-7-28-14)17-4-5-21(29-11-17)31-25-30-12-19(27)23(33-25)16-9-18(26)24-20(10-16)35-15(2)3-6-22(35)32-24/h4-5,9-12,14-15,28H,3,6-8,13H2,1-2H3,(H,29,30,31,33)
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n/an/a 3.60E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448932
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F
Show InChI InChI=1S/C26H28F2N8/c1-26(2)6-5-22-33-24-18(27)11-17(12-20(24)36(22)26)23-19(28)14-31-25(34-23)32-21-4-3-16(13-30-21)15-35-9-7-29-8-10-35/h3-4,11-14,29H,5-10,15H2,1-2H3,(H,30,31,32,34)
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n/an/a 3.70E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448939
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(OC3CCNCC3)cn2)ncc1F
Show InChI InChI=1S/C26H27F2N7O/c1-26(2)8-5-22-33-24-18(27)11-15(12-20(24)35(22)26)23-19(28)14-31-25(34-23)32-21-4-3-17(13-30-21)36-16-6-9-29-10-7-16/h3-4,11-14,16,29H,5-10H2,1-2H3,(H,30,31,32,34)
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n/an/a 3.80E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448966
PNG
(5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)C2CCNCC2)ncc1F
Show InChI InChI=1S/C25H25F2N7/c1-14-2-5-22-32-24-18(26)10-17(11-20(24)34(14)22)23-19(27)13-30-25(33-23)31-21-4-3-16(12-29-21)15-6-8-28-9-7-15/h3-4,10-15,28H,2,5-9H2,1H3,(H,29,30,31,33)
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n/an/a 3.90E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448939
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(OC3CCNCC3)cn2)ncc1F
Show InChI InChI=1S/C26H27F2N7O/c1-26(2)8-5-22-33-24-18(27)11-15(12-20(24)35(22)26)23-19(28)14-31-25(34-23)32-21-4-3-17(13-30-21)36-16-6-9-29-10-7-16/h3-4,11-14,16,29H,5-10H2,1-2H3,(H,30,31,32,34)
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n/an/a 3.90E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448960
PNG
(5-Fluoro-4-(5-fluoro-2,2-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1(C)Cc2nc3c(F)cc(cc3n2C1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C25H26F2N8/c1-25(2)11-21-32-23-17(26)9-15(10-19(23)35(21)14-25)22-18(27)13-30-24(33-22)31-20-4-3-16(12-29-20)34-7-5-28-6-8-34/h3-4,9-10,12-13,28H,5-8,11,14H2,1-2H3,(H,29,30,31,33)
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n/an/a 4.00E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455057
PNG
(CHEMBL4215702 | US10696678, Example 20)
Show SMILES CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8/c1-27(2)7-6-23-33-25-19(28)12-18(13-21(25)37(23)27)24-20(29)15-31-26(34-24)32-22-5-4-17(14-30-22)16-36-10-8-35(3)9-11-36/h4-5,12-15H,6-11,16H2,1-3H3,(H,30,31,32,34)
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n/an/a 4.00E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448924
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C25H26F2N8/c1-25(2)6-5-21-32-23-17(26)11-15(12-19(23)35(21)25)22-18(27)14-30-24(33-22)31-20-4-3-16(13-29-20)34-9-7-28-8-10-34/h3-4,11-14,28H,5-10H2,1-2H3,(H,29,30,31,33)
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n/an/a 4.00E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448962
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1CN(CCN1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C26H28F2N8/c1-15-14-35(9-8-29-15)17-4-5-21(30-12-17)32-25-31-13-19(28)23(34-25)16-10-18(27)24-20(11-16)36-22(33-24)6-7-26(36,2)3/h4-5,10-13,15,29H,6-9,14H2,1-3H3,(H,30,31,32,34)
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n/an/a 4.00E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448971
PNG
(5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C26H27F2N7/c1-15-3-6-23-32-25-19(27)11-18(12-21(25)35(15)23)24-20(28)14-30-26(33-24)31-22-5-4-17(13-29-22)16-7-9-34(2)10-8-16/h4-5,11-16H,3,6-10H2,1-2H3,(H,29,30,31,33)
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n/an/a 4.30E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448940
PNG
(N-(5-(4-Ethylpiperazin-1-yl)pyridin-2-yl)-5-fluoro...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C27H30F2N8/c1-4-35-9-11-36(12-10-35)18-5-6-22(30-15-18)32-26-31-16-20(29)24(34-26)17-13-19(28)25-21(14-17)37-23(33-25)7-8-27(37,2)3/h5-6,13-16H,4,7-12H2,1-3H3,(H,30,31,32,34)
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n/an/a 5.30E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455048
PNG
(CHEMBL4210707 | US10696678, Example 36)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CCF)CC3)cn2)ncc1F
Show InChI InChI=1S/C28H31F3N8/c1-28(2)6-5-24-35-26-20(30)13-19(14-22(26)39(24)28)25-21(31)16-33-27(36-25)34-23-4-3-18(15-32-23)17-38-11-9-37(8-7-29)10-12-38/h3-4,13-16H,5-12,17H2,1-2H3,(H,32,33,34,36)
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n/an/a 5.70E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455049
PNG
(CHEMBL4209318 | US10696678, Example 63)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(C)CC3)cn2)ncc1F
Show InChI InChI=1S/C26H28F2N8/c1-16-3-6-23-32-25-19(27)11-18(12-21(25)36(16)23)24-20(28)14-30-26(33-24)31-22-5-4-17(13-29-22)15-35-9-7-34(2)8-10-35/h4-5,11-14,16H,3,6-10,15H2,1-2H3,(H,29,30,31,33)
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n/an/a 5.70E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448973
PNG
(4-(1-Ethyl-5-fluoro-2,3-dihydro-1H-benzo[d]pyrrolo...)
Show SMILES CCC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C27H29F2N7/c1-3-19-5-7-24-33-26-20(28)12-18(13-22(26)36(19)24)25-21(29)15-31-27(34-25)32-23-6-4-17(14-30-23)16-8-10-35(2)11-9-16/h4,6,12-16,19H,3,5,7-11H2,1-2H3,(H,30,31,32,34)
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n/an/a 6.00E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM448960
PNG
(5-Fluoro-4-(5-fluoro-2,2-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1(C)Cc2nc3c(F)cc(cc3n2C1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C25H26F2N8/c1-25(2)11-21-32-23-17(26)9-15(10-19(23)35(21)14-25)22-18(27)13-30-24(33-22)31-20-4-3-16(12-29-20)34-7-5-28-6-8-34/h3-4,9-10,12-13,28H,5-8,11,14H2,1-2H3,(H,29,30,31,33)
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n/an/a 6.24E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455058
PNG
(CHEMBL4208366 | US10696678, Example 14)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCn5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8/c1-2-35-9-11-36(12-10-35)17-18-6-7-23(30-15-18)32-27-31-16-21(29)25(34-27)19-13-20(28)26-22(14-19)37-8-4-3-5-24(37)33-26/h6-7,13-16H,2-5,8-12,17H2,1H3,(H,30,31,32,34)
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n/an/a 6.80E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448940
PNG
(N-(5-(4-Ethylpiperazin-1-yl)pyridin-2-yl)-5-fluoro...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C27H30F2N8/c1-4-35-9-11-36(12-10-35)18-5-6-22(30-15-18)32-26-31-16-20(29)24(34-26)17-13-19(28)25-21(14-17)37-23(33-25)7-8-27(37,2)3/h5-6,13-16H,4,7-12H2,1-3H3,(H,30,31,32,34)
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n/an/a 6.90E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448950
PNG
(N-(5-(1-Ethylpiperidine-4-yl)pyridin-2-yl)-5-fluor...)
Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C28H31F2N7/c1-4-36-11-8-17(9-12-36)18-5-6-23(31-15-18)33-27-32-16-21(30)25(35-27)19-13-20(29)26-22(14-19)37-24(34-26)7-10-28(37,2)3/h5-6,13-17H,4,7-12H2,1-3H3,(H,31,32,33,35)
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n/an/a 7.00E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455050
PNG
(CHEMBL4208172 | US10696678, Example 18)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C28H32F2N8/c1-4-36-9-11-37(12-10-36)17-18-5-6-23(31-15-18)33-27-32-16-21(30)25(35-27)19-13-20(29)26-22(14-19)38-24(34-26)7-8-28(38,2)3/h5-6,13-16H,4,7-12,17H2,1-3H3,(H,31,32,33,35)
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n/an/a 7.40E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448938
PNG
(N-(5-((1-Ethylpiperidine-4-yl)oxy)pyridin-2-yl)-5-...)
Show SMILES CCN1CCC(CC1)Oc1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C28H31F2N7O/c1-4-36-11-8-18(9-12-36)38-19-5-6-23(31-15-19)33-27-32-16-21(30)25(35-27)17-13-20(29)26-22(14-17)37-24(34-26)7-10-28(37,2)3/h5-6,13-16,18H,4,7-12H2,1-3H3,(H,31,32,33,35)
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n/an/a 7.60E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50110183
PNG
(ABEMACICLIB | Abemaciclib | LY-2835219 | US1066218...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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n/an/a 7.80E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK6/CycD3


(Homo sapiens (Human))
BDBM448951
PNG
((S)-5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-...)
Show SMILES C[C@H]1CN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CCN1
Show InChI InChI=1S/C27H30F2N8/c1-16-14-36(9-8-30-16)15-17-4-5-22(31-12-17)33-26-32-13-20(29)24(35-26)18-10-19(28)25-21(11-18)37-23(34-25)6-7-27(37,2)3/h4-5,10-13,16,30H,6-9,14-15H2,1-3H3,(H,31,32,33,35)/t16-/m0/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448964
PNG
(5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C24H24F2N8/c1-14-2-5-21-31-23-17(25)10-15(11-19(23)34(14)21)22-18(26)13-29-24(32-22)30-20-4-3-16(12-28-20)33-8-6-27-7-9-33/h3-4,10-14,27H,2,5-9H2,1H3,(H,28,29,30,32)
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n/an/a 9.00E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448973
PNG
(4-(1-Ethyl-5-fluoro-2,3-dihydro-1H-benzo[d]pyrrolo...)
Show SMILES CCC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C27H29F2N7/c1-3-19-5-7-24-33-26-20(28)12-18(13-22(26)36(19)24)25-21(29)15-31-27(34-25)32-23-6-4-17(14-30-23)16-8-10-35(2)11-9-16/h4,6,12-16,19H,3,5,7-11H2,1-2H3,(H,30,31,32,34)
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n/an/a 9.00E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448959
PNG
(4-(1-Ethyl-5-fluoro-2,3-dihydro-1H-benzo[d]pyrrolo...)
Show SMILES CCC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C25H26F2N8/c1-2-16-4-6-22-32-24-18(26)11-15(12-20(24)35(16)22)23-19(27)14-30-25(33-23)31-21-5-3-17(13-29-21)34-9-7-28-8-10-34/h3,5,11-14,16,28H,2,4,6-10H2,1H3,(H,29,30,31,33)
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n/an/a 9.60E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455054
PNG
(CHEMBL4207451 | US10696678, Example 48)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC3)C3CC3)cn2)ncc1F
Show InChI InChI=1S/C29H32F2N8/c1-29(2)8-7-25-35-27-21(30)13-19(14-23(27)39(25)29)26-22(31)16-33-28(36-26)34-24-6-3-18(15-32-24)17-37-9-11-38(12-10-37)20-4-5-20/h3,6,13-16,20H,4-5,7-12,17H2,1-2H3,(H,32,33,34,36)
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GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448977
PNG
(4-(5-Fluoro-1-methyl-2,3-dihydro-1H-benzo[d]pyrrol...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C24H25FN8/c1-15-2-5-22-31-23-18(25)12-16(13-20(23)33(15)22)19-6-7-27-24(29-19)30-21-4-3-17(14-28-21)32-10-8-26-9-11-32/h3-4,6-7,12-15,26H,2,5,8-11H2,1H3,(H,27,28,29,30)
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n/an/a 9.90E+3n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455048
PNG
(CHEMBL4210707 | US10696678, Example 36)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CCF)CC3)cn2)ncc1F
Show InChI InChI=1S/C28H31F3N8/c1-28(2)6-5-24-35-26-20(30)13-19(14-22(26)39(24)28)25-21(31)16-33-27(36-25)34-23-4-3-18(15-32-23)17-38-11-9-37(8-7-29)10-12-38/h3-4,13-16H,5-12,17H2,1-2H3,(H,32,33,34,36)
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n/an/a 1.12E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448935
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES Cc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)ccc1CC1CCNCC1
Show InChI InChI=1S/C28H31F2N7/c1-16-18(12-17-7-10-31-11-8-17)4-5-23(33-16)34-27-32-15-21(30)25(36-27)19-13-20(29)26-22(14-19)37-24(35-26)6-9-28(37,2)3/h4-5,13-15,17,31H,6-12H2,1-3H3,(H,32,33,34,36)
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n/an/a 1.22E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455061
PNG
(CHEMBL4211828 | US10696678, Example 65)
Show SMILES CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C28H32F2N8/c1-17(2)37-10-8-36(9-11-37)16-19-5-6-24(31-14-19)33-28-32-15-22(30)26(35-28)20-12-21(29)27-23(13-20)38-18(3)4-7-25(38)34-27/h5-6,12-15,17-18H,4,7-11,16H2,1-3H3,(H,31,32,33,35)
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n/an/a 1.27E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448937
PNG
((4-Ethylpiperazin-1-yl)(6-((5-fluoro-4-(5-fluoro-1...)
Show SMILES CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C28H30F2N8O/c1-4-36-9-11-37(12-10-36)26(39)17-5-6-22(31-15-17)33-27-32-16-20(30)24(35-27)18-13-19(29)25-21(14-18)38-23(34-25)7-8-28(38,2)3/h5-6,13-16H,4,7-12H2,1-3H3,(H,31,32,33,35)
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n/an/a 1.30E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448948
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C26H28F2N8/c1-26(2)7-6-22-32-24-18(27)12-16(13-20(24)36(22)26)23-19(28)15-30-25(33-23)31-21-5-4-17(14-29-21)35-10-8-34(3)9-11-35/h4-5,12-15H,6-11H2,1-3H3,(H,29,30,31,33)
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n/an/a 1.30E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448976
PNG
(N-(5-(4-(Dimethylamino)piperidine-1-yl)pyridin-2-y...)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C28H32F2N8/c1-28(2)10-7-24-34-26-20(29)13-17(14-22(26)38(24)28)25-21(30)16-32-27(35-25)33-23-6-5-19(15-31-23)37-11-8-18(9-12-37)36(3)4/h5-6,13-16,18H,7-12H2,1-4H3,(H,31,32,33,35)
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n/an/a 1.40E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455060
PNG
(CHEMBL4213847 | US10696678, Example 70)
Show SMILES CCC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC)CC3)cn2)ncc1F
Show InChI InChI=1S/C28H32F2N8/c1-3-20-6-8-25-34-27-21(29)13-19(14-23(27)38(20)25)26-22(30)16-32-28(35-26)33-24-7-5-18(15-31-24)17-37-11-9-36(4-2)10-12-37/h5,7,13-16,20H,3-4,6,8-12,17H2,1-2H3,(H,31,32,33,35)
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n/an/a 1.40E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448949
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C27H29F2N7/c1-27(2)9-6-23-33-25-19(28)12-18(13-21(25)36(23)27)24-20(29)15-31-26(34-24)32-22-5-4-17(14-30-22)16-7-10-35(3)11-8-16/h4-5,12-16H,6-11H2,1-3H3,(H,30,31,32,34)
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n/an/a 1.45E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455051
PNG
(CHEMBL4210028 | US10696678, Example 24)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc5CCC(C)(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C28H33FN8/c1-4-35-11-13-36(14-12-35)18-19-5-8-24(30-16-19)33-27-31-17-21(29)26(34-27)20-6-7-22-23(15-20)37-25(32-22)9-10-28(37,2)3/h5-8,15-17H,4,9-14,18H2,1-3H3,(H,30,31,33,34)
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n/an/a 1.58E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455053
PNG
(CHEMBL4215568 | US10696678, Example 49)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CC(C)Cn5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8/c1-3-35-6-8-36(9-7-35)16-18-4-5-23(30-13-18)32-27-31-14-21(29)25(34-27)19-11-20(28)26-22(12-19)37-15-17(2)10-24(37)33-26/h4-5,11-14,17H,3,6-10,15-16H2,1-2H3,(H,30,31,32,34)
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n/an/a 1.58E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448977
PNG
(4-(5-Fluoro-1-methyl-2,3-dihydro-1H-benzo[d]pyrrol...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C24H25FN8/c1-15-2-5-22-31-23-18(25)12-16(13-20(23)33(15)22)19-6-7-27-24(29-19)30-21-4-3-17(14-28-21)32-10-8-26-9-11-32/h3-4,6-7,12-15,26H,2,5,8-11H2,1H3,(H,27,28,29,30)
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n/an/a 1.58E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448949
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C27H29F2N7/c1-27(2)9-6-23-33-25-19(28)12-18(13-21(25)36(23)27)24-20(29)15-31-26(34-24)32-22-5-4-17(14-30-22)16-7-10-35(3)11-8-16/h4-5,12-16H,6-11H2,1-3H3,(H,30,31,32,34)
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n/an/a 1.60E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455064
PNG
(CHEMBL4211479 | US10696678, Example 37)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2C)CC1
Show InChI InChI=1S/C29H34F2N8/c1-5-37-10-12-38(13-11-37)17-19-6-7-24(33-18(19)2)34-28-32-16-22(31)26(36-28)20-14-21(30)27-23(15-20)39-25(35-27)8-9-29(39,3)4/h6-7,14-16H,5,8-13,17H2,1-4H3,(H,32,33,34,36)
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n/an/a 1.60E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455068
PNG
(CHEMBL4205645 | US10696678, Example 22)
Show SMILES CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C28H33FN8/c1-4-35-11-13-36(14-12-35)18-19-5-6-24(31-17-19)33-27-30-10-8-22(32-27)20-15-21(29)26-23(16-20)37-25(34-26)7-9-28(37,2)3/h5-6,8,10,15-17H,4,7,9,11-14,18H2,1-3H3,(H,30,31,32,33)
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n/an/a 1.74E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455067
PNG
(CHEMBL4207966 | US10696678, Example 73)
Show SMILES CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C27H31FN8/c1-3-34-10-12-35(13-11-34)17-19-5-6-24(30-16-19)32-27-29-9-8-22(31-27)20-14-21(28)26-23(15-20)36-18(2)4-7-25(36)33-26/h5-6,8-9,14-16,18H,3-4,7,10-13,17H2,1-2H3,(H,29,30,31,32)
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n/an/a 1.76E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448926
PNG
(1-(2-((5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihyd...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F
Show InChI InChI=1S/C26H25F2N7O2/c1-26(2)7-5-21-32-24-16(27)9-15(10-19(24)35(21)26)23-17(28)11-29-25(33-23)31-20-4-3-14-12-34(22(37)13-36)8-6-18(14)30-20/h3-4,9-11,36H,5-8,12-13H2,1-2H3,(H,29,30,31,33)
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n/an/a 1.76E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448955
PNG
(5-Fluoro-4-(5-fluoro-2-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1Cc2nc3c(F)cc(cc3n2C1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C24H24F2N8/c1-14-8-21-31-23-17(25)9-15(10-19(23)34(21)13-14)22-18(26)12-29-24(32-22)30-20-3-2-16(11-28-20)33-6-4-27-5-7-33/h2-3,9-12,14,27H,4-8,13H2,1H3,(H,28,29,30,32)
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n/an/a 1.76E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448918
PNG
(5-Fluoro-4-(6-fluoro-1,2,3,4-tetrahydrobenzo[4,5]i...)
Show SMILES Fc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1cc(F)c2nc3CCCCn3c2c1
Show InChI InChI=1S/C24H24F2N8/c25-17-11-15(12-19-23(17)31-21-3-1-2-8-34(19)21)22-18(26)14-29-24(32-22)30-20-5-4-16(13-28-20)33-9-6-27-7-10-33/h4-5,11-14,27H,1-3,6-10H2,(H,28,29,30,32)
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n/an/a 1.80E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455059
PNG
(CHEMBL4214566 | US10696678, Example 12)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCn5c4c3)nc2)CC1
Show InChI InChI=1S/C26H28F2N8/c1-2-34-8-10-35(11-9-34)16-17-5-6-22(29-14-17)31-26-30-15-20(28)24(33-26)18-12-19(27)25-21(13-18)36-7-3-4-23(36)32-25/h5-6,12-15H,2-4,7-11,16H2,1H3,(H,29,30,31,33)
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n/an/a 1.80E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448960
PNG
(5-Fluoro-4-(5-fluoro-2,2-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1(C)Cc2nc3c(F)cc(cc3n2C1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C25H26F2N8/c1-25(2)11-21-32-23-17(26)9-15(10-19(23)35(21)14-25)22-18(27)13-30-24(33-22)31-20-4-3-16(12-29-20)34-7-5-28-6-8-34/h3-4,9-10,12-13,28H,5-8,11,14H2,1-2H3,(H,29,30,31,33)
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n/an/a 1.87E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448934
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES Cc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)ccc1CN1CCNCC1
Show InChI InChI=1S/C27H30F2N8/c1-16-17(15-36-10-8-30-9-11-36)4-5-22(32-16)33-26-31-14-20(29)24(35-26)18-12-19(28)25-21(13-18)37-23(34-25)6-7-27(37,2)3/h4-5,12-14,30H,6-11,15H2,1-3H3,(H,31,32,33,35)
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n/an/a 1.87E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448959
PNG
(4-(1-Ethyl-5-fluoro-2,3-dihydro-1H-benzo[d]pyrrolo...)
Show SMILES CCC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C25H26F2N8/c1-2-16-4-6-22-32-24-18(26)11-15(12-20(24)35(16)22)23-19(27)14-30-25(33-23)31-21-5-3-17(13-29-21)34-9-7-28-8-10-34/h3,5,11-14,16,28H,2,4,6-10H2,1H3,(H,29,30,31,33)
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n/an/a 1.90E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455054
PNG
(CHEMBL4207451 | US10696678, Example 48)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC3)C3CC3)cn2)ncc1F
Show InChI InChI=1S/C29H32F2N8/c1-29(2)8-7-25-35-27-21(30)13-19(14-23(27)39(25)29)26-22(31)16-33-28(36-26)34-24-6-3-18(15-32-24)17-37-9-11-38(12-10-37)20-4-5-20/h3,6,13-16,20H,4-5,7-12,17H2,1-2H3,(H,32,33,34,36)
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n/an/a 1.90E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448964
PNG
(5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C24H24F2N8/c1-14-2-5-21-31-23-17(25)10-15(11-19(23)34(14)21)22-18(26)13-29-24(32-22)30-20-4-3-16(12-28-20)33-8-6-27-7-9-33/h3-4,10-14,27H,2,5-9H2,1H3,(H,28,29,30,32)
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n/an/a 2.00E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455062
PNG
(CHEMBL4207804 | US10696678, Example 56)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CC(C)(C)Cn5c4c3)nc2)CC1
Show InChI InChI=1S/C28H32F2N8/c1-4-36-7-9-37(10-8-36)16-18-5-6-23(31-14-18)33-27-32-15-21(30)25(35-27)19-11-20(29)26-22(12-19)38-17-28(2,3)13-24(38)34-26/h5-6,11-12,14-15H,4,7-10,13,16-17H2,1-3H3,(H,31,32,33,35)
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n/an/a 2.00E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448971
PNG
(5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C26H27F2N7/c1-15-3-6-23-32-25-19(27)11-18(12-21(25)35(15)23)24-20(28)14-30-26(33-24)31-22-5-4-17(13-29-22)16-7-9-34(2)10-8-16/h4-5,11-16H,3,6-10H2,1-2H3,(H,29,30,31,33)
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n/an/a 2.14E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448950
PNG
(N-(5-(1-Ethylpiperidine-4-yl)pyridin-2-yl)-5-fluor...)
Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C28H31F2N7/c1-4-36-11-8-17(9-12-36)18-5-6-23(31-15-18)33-27-32-16-21(30)25(35-27)19-13-20(29)26-22(14-19)37-24(34-26)7-10-28(37,2)3/h5-6,13-17H,4,7-12H2,1-3H3,(H,31,32,33,35)
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n/an/a 2.17E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455060
PNG
(CHEMBL4213847 | US10696678, Example 70)
Show SMILES CCC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC)CC3)cn2)ncc1F
Show InChI InChI=1S/C28H32F2N8/c1-3-20-6-8-25-34-27-21(29)13-19(14-23(27)38(20)25)26-22(30)16-32-28(35-26)33-24-7-5-18(15-31-24)17-37-11-9-36(4-2)10-12-37/h5,7,13-16,20H,3-4,6,8-12,17H2,1-2H3,(H,31,32,33,35)
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n/an/a 2.20E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448974
PNG
(N-(5-(1-Ethylpiperidine-4-yl)pyridin-2-yl)-5-fluor...)
Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)n4c3c2)nc1
Show InChI InChI=1S/C27H29F2N7/c1-3-35-10-8-17(9-11-35)18-5-6-23(30-14-18)32-27-31-15-21(29)25(34-27)19-12-20(28)26-22(13-19)36-16(2)4-7-24(36)33-26/h5-6,12-17H,3-4,7-11H2,1-2H3,(H,30,31,32,34)
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n/an/a 2.44E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455073
PNG
(CHEMBL4216447 | US10696678, Example 38)
Show SMILES CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2C)CC1
Show InChI InChI=1S/C28H32F2N8/c1-17-18(16-37-11-9-36(4)10-12-37)5-6-23(32-17)33-27-31-15-21(30)25(35-27)19-13-20(29)26-22(14-19)38-24(34-26)7-8-28(38,2)3/h5-6,13-15H,7-12,16H2,1-4H3,(H,31,32,33,35)
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n/an/a 2.50E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455066
PNG
(CHEMBL4212542 | US10696678, Example 60)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8/c1-3-35-8-10-36(11-9-35)16-18-5-6-23(30-14-18)32-27-31-15-21(29)25(34-27)19-12-20(28)26-22(13-19)37-17(2)4-7-24(37)33-26/h5-6,12-15,17H,3-4,7-11,16H2,1-2H3,(H,30,31,32,34)
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n/an/a 2.70E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448920
PNG
(1-(2-((5-Fluoro-4-(6-fluoro-1,2,3,4-tetrahydrobenz...)
Show SMILES OCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCn5c4c3)ccc2C1
Show InChI InChI=1S/C25H23F2N7O2/c26-16-9-15(10-19-24(16)31-21-3-1-2-7-34(19)21)23-17(27)11-28-25(32-23)30-20-5-4-14-12-33(22(36)13-35)8-6-18(14)29-20/h4-5,9-11,35H,1-3,6-8,12-13H2,(H,28,29,30,32)
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n/an/a 2.80E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455066
PNG
(CHEMBL4212542 | US10696678, Example 60)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8/c1-3-35-8-10-36(11-9-35)16-18-5-6-23(30-14-18)32-27-31-15-21(29)25(34-27)19-12-20(28)26-22(13-19)37-17(2)4-7-24(37)33-26/h5-6,12-15,17H,3-4,7-11,16H2,1-2H3,(H,30,31,32,34)
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n/an/a 2.80E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448963
PNG
(1-(2-((5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
Show InChI InChI=1S/C23H21F2N7/c1-12-2-5-20-30-22-15(24)8-14(9-18(22)32(12)20)21-16(25)11-27-23(31-21)29-19-4-3-13-10-26-7-6-17(13)28-19/h3-4,8-9,11-12,26H,2,5-7,10H2,1H3,(H,27,28,29,31)
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n/an/a 2.80E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448946
PNG
(5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(N3CCN(C)CC3)c(C)n2)ncc1F
Show InChI InChI=1S/C26H28F2N8/c1-15-4-7-23-32-25-18(27)12-17(13-21(25)36(15)23)24-19(28)14-29-26(33-24)31-22-6-5-20(16(2)30-22)35-10-8-34(3)9-11-35/h5-6,12-15H,4,7-11H2,1-3H3,(H,29,30,31,33)
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n/an/a 2.85E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448967
PNG
(5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CC3CCNCC3)c(C)n2)ncc1F
Show InChI InChI=1S/C27H29F2N7/c1-15-3-6-24-34-26-20(28)12-19(13-22(26)36(15)24)25-21(29)14-31-27(35-25)33-23-5-4-18(16(2)32-23)11-17-7-9-30-10-8-17/h4-5,12-15,17,30H,3,6-11H2,1-2H3,(H,31,32,33,35)
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n/an/a 3.40E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455062
PNG
(CHEMBL4207804 | US10696678, Example 56)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CC(C)(C)Cn5c4c3)nc2)CC1
Show InChI InChI=1S/C28H32F2N8/c1-4-36-7-9-37(10-8-36)16-18-5-6-23(31-14-18)33-27-32-15-21(30)25(35-27)19-11-20(29)26-22(12-19)38-17-28(2,3)13-24(38)34-26/h5-6,11-12,14-15H,4,7-10,13,16-17H2,1-3H3,(H,31,32,33,35)
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n/an/a 3.60E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455052
PNG
(CHEMBL4215126 | US10696678, Example 64)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2C)CC1
Show InChI InChI=1S/C28H32F2N8/c1-4-36-9-11-37(12-10-36)16-19-6-7-24(32-18(19)3)33-28-31-15-22(30)26(35-28)20-13-21(29)27-23(14-20)38-17(2)5-8-25(38)34-27/h6-7,13-15,17H,4-5,8-12,16H2,1-3H3,(H,31,32,33,35)
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n/an/a 3.90E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448974
PNG
(N-(5-(1-Ethylpiperidine-4-yl)pyridin-2-yl)-5-fluor...)
Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)n4c3c2)nc1
Show InChI InChI=1S/C27H29F2N7/c1-3-35-10-8-17(9-11-35)18-5-6-23(30-14-18)32-27-31-15-21(29)25(34-27)19-12-20(28)26-22(13-19)36-16(2)4-7-24(36)33-26/h5-6,12-17H,3-4,7-11H2,1-2H3,(H,30,31,32,34)
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n/an/a 4.00E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455058
PNG
(CHEMBL4208366 | US10696678, Example 14)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCn5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8/c1-2-35-9-11-36(12-10-35)17-18-6-7-23(30-15-18)32-27-31-16-21(29)25(34-27)19-13-20(28)26-22(14-19)37-8-4-3-5-24(37)33-26/h6-7,13-16H,2-5,8-12,17H2,1H3,(H,30,31,32,34)
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n/an/a 4.56E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455064
PNG
(CHEMBL4211479 | US10696678, Example 37)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2C)CC1
Show InChI InChI=1S/C29H34F2N8/c1-5-37-10-12-38(13-11-37)17-19-6-7-24(33-18(19)2)34-28-32-16-22(31)26(36-28)20-14-21(30)27-23(15-20)39-25(35-27)8-9-29(39,3)4/h6-7,14-16H,5,8-13,17H2,1-4H3,(H,32,33,34,36)
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n/an/a 4.60E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448963
PNG
(1-(2-((5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
Show InChI InChI=1S/C23H21F2N7/c1-12-2-5-20-30-22-15(24)8-14(9-18(22)32(12)20)21-16(25)11-27-23(31-21)29-19-4-3-13-10-26-7-6-17(13)28-19/h3-4,8-9,11-12,26H,2,5-7,10H2,1H3,(H,27,28,29,31)
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n/an/a 4.73E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448937
PNG
((4-Ethylpiperazin-1-yl)(6-((5-fluoro-4-(5-fluoro-1...)
Show SMILES CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C28H30F2N8O/c1-4-36-9-11-37(12-10-36)26(39)17-5-6-22(31-15-17)33-27-32-16-20(30)24(35-27)18-13-19(29)25-21(14-18)38-23(34-25)7-8-28(38,2)3/h5-6,13-16H,4,7-12H2,1-3H3,(H,31,32,33,35)
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n/an/a 4.90E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455063
PNG
(CHEMBL4213109 | US10696678, Example 51)
Show SMILES CCC1Cc2nc3c(F)cc(cc3n2C1)-c1nc(Nc2ccc(CN3CCN(CC)CC3)cn2)ncc1F
Show InChI InChI=1S/C28H32F2N8/c1-3-18-11-25-34-27-21(29)12-20(13-23(27)38(25)17-18)26-22(30)15-32-28(35-26)33-24-6-5-19(14-31-24)16-37-9-7-36(4-2)8-10-37/h5-6,12-15,18H,3-4,7-11,16-17H2,1-2H3,(H,31,32,33,35)
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n/an/a 4.97E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448936
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES Cc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)ccc1N1CCNCC1
Show InChI InChI=1S/C26H28F2N8/c1-15-19(35-10-8-29-9-11-35)4-5-21(31-15)32-25-30-14-18(28)23(34-25)16-12-17(27)24-20(13-16)36-22(33-24)6-7-26(36,2)3/h4-5,12-14,29H,6-11H2,1-3H3,(H,30,31,32,34)
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n/an/a 5.50E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448946
PNG
(5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(N3CCN(C)CC3)c(C)n2)ncc1F
Show InChI InChI=1S/C26H28F2N8/c1-15-4-7-23-32-25-18(27)12-17(13-21(25)36(15)23)24-19(28)14-29-26(33-24)31-22-6-5-20(16(2)30-22)35-10-8-34(3)9-11-35/h5-6,12-15H,4,7-11H2,1-3H3,(H,29,30,31,33)
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n/an/a 5.78E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448957
PNG
(4-(2-Ethyl-5-fluoro-2,3-dihydro-1H-benzo[d]pyrrolo...)
Show SMILES CCC1Cc2nc3c(F)cc(cc3n2C1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C25H26F2N8/c1-2-15-9-22-32-24-18(26)10-16(11-20(24)35(22)14-15)23-19(27)13-30-25(33-23)31-21-4-3-17(12-29-21)34-7-5-28-6-8-34/h3-4,10-13,15,28H,2,5-9,14H2,1H3,(H,29,30,31,33)
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n/an/a 6.07E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448918
PNG
(5-Fluoro-4-(6-fluoro-1,2,3,4-tetrahydrobenzo[4,5]i...)
Show SMILES Fc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1cc(F)c2nc3CCCCn3c2c1
Show InChI InChI=1S/C24H24F2N8/c25-17-11-15(12-19-23(17)31-21-3-1-2-8-34(19)21)22-18(26)14-29-24(32-22)30-20-5-4-16(13-28-20)33-9-6-27-7-10-33/h4-5,11-14,27H,1-3,6-10H2,(H,28,29,30,32)
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n/an/a 6.27E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448920
PNG
(1-(2-((5-Fluoro-4-(6-fluoro-1,2,3,4-tetrahydrobenz...)
Show SMILES OCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCn5c4c3)ccc2C1
Show InChI InChI=1S/C25H23F2N7O2/c26-16-9-15(10-19-24(16)31-21-3-1-2-7-34(19)21)23-17(27)11-28-25(32-23)30-20-5-4-14-12-33(22(36)13-35)8-6-18(14)29-20/h4-5,9-11,35H,1-3,6-8,12-13H2,(H,28,29,30,32)
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n/an/a 6.86E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448966
PNG
(5-Fluoro-4-(5-fluoro-1-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)C2CCNCC2)ncc1F
Show InChI InChI=1S/C25H25F2N7/c1-14-2-5-22-32-24-18(26)10-17(11-20(24)34(14)22)23-19(27)13-30-25(33-23)31-21-4-3-16(12-29-21)15-6-8-28-9-7-15/h3-4,10-15,28H,2,5-9H2,1H3,(H,29,30,31,33)
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n/an/a 8.00E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448931
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)C2CCNCC2)ncc1F
Show InChI InChI=1S/C26H27F2N7/c1-26(2)8-5-22-33-24-18(27)11-17(12-20(24)35(22)26)23-19(28)14-31-25(34-23)32-21-4-3-16(13-30-21)15-6-9-29-10-7-15/h3-4,11-15,29H,5-10H2,1-2H3,(H,30,31,32,34)
PDB

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n/an/a 8.20E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448934
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES Cc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)ccc1CN1CCNCC1
Show InChI InChI=1S/C27H30F2N8/c1-16-17(15-36-10-8-30-9-11-36)4-5-22(32-16)33-26-31-14-20(29)24(35-26)18-12-19(28)25-21(13-18)37-23(34-25)6-7-27(37,2)3/h4-5,12-14,30H,6-11,15H2,1-3H3,(H,31,32,33,35)
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n/an/a 8.90E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448928
PNG
(4-(5-Fluoro-1,1-dimethyl-2,3-dihydro-1H-benzo[d]py...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C25H27FN8/c1-25(2)7-5-22-32-23-18(26)13-16(14-20(23)34(22)25)19-6-8-28-24(30-19)31-21-4-3-17(15-29-21)33-11-9-27-10-12-33/h3-4,6,8,13-15,27H,5,7,9-12H2,1-2H3,(H,28,29,30,31)
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n/an/a 9.00E+4n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448957
PNG
(4-(2-Ethyl-5-fluoro-2,3-dihydro-1H-benzo[d]pyrrolo...)
Show SMILES CCC1Cc2nc3c(F)cc(cc3n2C1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C25H26F2N8/c1-2-15-9-22-32-24-18(26)10-16(11-20(24)35(22)14-15)23-19(27)13-30-25(33-23)31-21-4-3-17(12-29-21)34-7-5-28-6-8-34/h3-4,10-13,15,28H,2,5-9,14H2,1H3,(H,29,30,31,33)
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n/an/a 1.44E+5n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM50455065
PNG
(CHEMBL4204961 | US10696678, Example 16)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCCn5c4c3)nc2)CC1
Show InChI InChI=1S/C28H32F2N8/c1-2-36-10-12-37(13-11-36)18-19-7-8-24(31-16-19)33-28-32-17-22(30)26(35-28)20-14-21(29)27-23(15-20)38-9-5-3-4-6-25(38)34-27/h7-8,14-17H,2-6,9-13,18H2,1H3,(H,31,32,33,35)
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n/an/a 1.47E+5n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455052
PNG
(CHEMBL4215126 | US10696678, Example 64)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2C)CC1
Show InChI InChI=1S/C28H32F2N8/c1-4-36-9-11-37(12-10-36)16-19-6-7-24(32-18(19)3)33-28-31-15-22(30)26(35-28)20-13-21(29)27-23(14-20)38-17(2)5-8-25(38)34-27/h6-7,13-15,17H,4-5,8-12,16H2,1-3H3,(H,31,32,33,35)
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n/an/a 1.78E+5n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK4/Cyclin D3


(Homo sapiens (Human))
BDBM448922
PNG
(5-Fluoro-4-(4-fluoro-7,8,9,10-tetrahydro-6H-benzo[...)
Show SMILES Fc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1cc(F)c2nc3CCCCCn3c2c1
Show InChI InChI=1S/C25H26F2N8/c26-18-12-16(13-20-24(18)32-22-4-2-1-3-9-35(20)22)23-19(27)15-30-25(33-23)31-21-6-5-17(14-29-21)34-10-7-28-8-11-34/h5-6,12-15,28H,1-4,7-11H2,(H,29,30,31,33)
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n/an/a 2.36E+5n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455059
PNG
(CHEMBL4214566 | US10696678, Example 12)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCn5c4c3)nc2)CC1
Show InChI InChI=1S/C26H28F2N8/c1-2-34-8-10-35(11-9-34)16-17-5-6-22(29-14-17)31-26-30-15-20(28)24(33-26)18-12-19(27)25-21(13-18)36-7-3-4-23(36)32-25/h5-6,12-15H,2-4,7-11,16H2,1H3,(H,29,30,31,33)
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n/an/a 2.44E+5n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455065
PNG
(CHEMBL4204961 | US10696678, Example 16)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCCn5c4c3)nc2)CC1
Show InChI InChI=1S/C28H32F2N8/c1-2-36-10-12-37(13-11-36)18-19-7-8-24(31-16-19)33-28-32-17-22(30)26(35-28)20-14-21(29)27-23(15-20)38-9-5-3-4-6-25(38)34-27/h7-8,14-17H,2-6,9-13,18H2,1H3,(H,31,32,33,35)
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n/an/a 2.48E+5n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455073
PNG
(CHEMBL4216447 | US10696678, Example 38)
Show SMILES CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2C)CC1
Show InChI InChI=1S/C28H32F2N8/c1-17-18(16-37-11-9-36(4)10-12-37)5-6-23(32-17)33-27-31-15-21(30)25(35-27)19-13-20(29)26-22(14-19)38-24(34-26)7-8-28(38,2)3/h5-6,13-15H,7-12,16H2,1-4H3,(H,31,32,33,35)
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n/an/a 2.71E+5n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455049
PNG
(CHEMBL4209318 | US10696678, Example 63)
Show SMILES CC1CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(C)CC3)cn2)ncc1F
Show InChI InChI=1S/C26H28F2N8/c1-16-3-6-23-32-25-19(27)11-18(12-21(25)36(16)23)24-20(28)14-30-26(33-24)31-22-5-4-17(13-29-22)15-35-9-7-34(2)8-10-35/h4-5,11-14,16H,3,6-10,15H2,1-2H3,(H,29,30,31,33)
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n/an/a 2.75E+5n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455063
PNG
(CHEMBL4213109 | US10696678, Example 51)
Show SMILES CCC1Cc2nc3c(F)cc(cc3n2C1)-c1nc(Nc2ccc(CN3CCN(CC)CC3)cn2)ncc1F
Show InChI InChI=1S/C28H32F2N8/c1-3-18-11-25-34-27-21(29)12-20(13-23(27)38(25)17-18)26-22(30)15-32-28(35-26)33-24-6-5-19(14-31-24)16-37-9-7-36(4-2)8-10-37/h5-6,12-15,18H,3-4,7-11,16-17H2,1-2H3,(H,31,32,33,35)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.39E+5n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM448955
PNG
(5-Fluoro-4-(5-fluoro-2-methyl-2,3-dihydro-1H-benzo...)
Show SMILES CC1Cc2nc3c(F)cc(cc3n2C1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C24H24F2N8/c1-14-8-21-31-23-17(25)9-15(10-19(23)34(21)13-14)22-18(26)12-29-24(32-22)30-20-3-2-16(11-28-20)33-6-4-27-5-7-33/h2-3,9-12,14,27H,4-8,13H2,1H3,(H,28,29,30,32)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
UniChem
US Patent
n/an/a 3.68E+5n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455053
PNG
(CHEMBL4215568 | US10696678, Example 49)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CC(C)Cn5c4c3)nc2)CC1
Show InChI InChI=1S/C27H30F2N8/c1-3-35-6-8-36(9-7-35)16-18-4-5-23(30-13-18)32-27-31-14-21(29)25(34-27)19-11-20(28)26-22(12-19)37-15-17(2)10-24(37)33-26/h4-5,11-14,17H,3,6-10,15-16H2,1-2H3,(H,30,31,32,34)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.92E+5n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50455067
PNG
(CHEMBL4207966 | US10696678, Example 73)
Show SMILES CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C27H31FN8/c1-3-34-10-12-35(13-11-34)17-19-5-6-24(30-16-19)32-27-29-9-8-22(31-27)20-14-21(28)26-23(15-20)36-18(2)4-7-25(36)33-26/h5-6,8-9,14-16,18H,3-4,7,10-13,17H2,1-2H3,(H,29,30,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.52E+5n/an/an/an/an/an/a



GAN & LEE PHARMACEUTICALS

US Patent


Assay Description
In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...


US Patent US10696678 (2020)

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