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Compile Data Set for Download or QSAR

Found 2197 hits for UniProtKB: P24385   
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 4


(Homo sapiens (Human))
BDBM533367
PNG
(US11220494, Example A25)
Show SMILES CC(C)c1n(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C21H26ClFN6O3S/c1-11(2)20-13-7-12(8-15(23)19(13)27-28(20)3)18-14(22)9-24-21(26-18)25-16-5-6-29(10-17(16)30)33(4,31)32/h7-9,11,16-17,30H,5-6,10H2,1-4H3,(H,24,25,26)/t16-,17-/m1/s1
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0n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462197
PNG
(US10766884, Example F15 | US11220494, Example F15)
Show SMILES CC(C)(C)n1cnc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F
Show InChI InChI=1S/C21H26F2N6O3S/c1-21(2,3)29-11-25-19-13(22)7-12(8-16(19)29)18-14(23)9-24-20(27-18)26-15-5-6-28(10-17(15)30)33(4,31)32/h7-9,11,15,17,30H,5-6,10H2,1-4H3,(H,24,26,27)/t15-,17-/m1/s1
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0n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
CDK6/cyclin D1


(Homo sapiens (Human))
BDBM370121
PNG
(6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcy...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O
Show InChI InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Therachem Research Medilab, LLC

Curated by ChEMBL


Assay Description
Inhibition of non-phosphorylated CDK6/Cyclin D1 (unknown origin) assessed as reduction in production of ADP using 5-FAM-RRRFRPASPLRGPPK peptide as su...


ACS Med Chem Lett 12: 182-184 (2021)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462130
PNG
(US10766884, Example A47 | US10766884, Example A48 ...)
Show SMILES CC(N)c1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C22H29ClFN7O3S/c1-11(2)31-17-8-13(7-15(24)20(17)28-21(31)12(3)25)19-14(23)9-26-22(29-19)27-16-5-6-30(10-18(16)32)35(4,33)34/h7-9,11-12,16,18,32H,5-6,10,25H2,1-4H3,(H,26,27,29)/t12?,16-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462130
PNG
(US10766884, Example A47 | US10766884, Example A48 ...)
Show SMILES CC(N)c1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C22H29ClFN7O3S/c1-11(2)31-17-8-13(7-15(24)20(17)28-21(31)12(3)25)19-14(23)9-26-22(29-19)27-16-5-6-30(10-18(16)32)35(4,33)34/h7-9,11-12,16,18,32H,5-6,10,25H2,1-4H3,(H,26,27,29)/t12?,16-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462081
PNG
(US10766884, Example A02 | US11220494, Example A02)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F
Show InChI InChI=1S/C21H26F2N6O3S/c1-11(2)29-12(3)25-20-14(22)7-13(8-17(20)29)19-15(23)9-24-21(27-19)26-16-5-6-28(10-18(16)30)33(4,31)32/h7-9,11,16,18,30H,5-6,10H2,1-4H3,(H,24,26,27)/t16-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462162
PNG
(US10766884, Example A78 | US11220494, Example A78)
Show SMILES Cc1nc2ccc(cc2n1C(C)(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F
Show InChI InChI=1S/C22H29FN6O3S/c1-13-25-16-7-6-14(10-18(16)29(13)22(2,3)4)20-15(23)11-24-21(27-20)26-17-8-9-28(12-19(17)30)33(5,31)32/h6-7,10-11,17,19,30H,8-9,12H2,1-5H3,(H,24,26,27)/t17-,19-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462173
PNG
((Scheme A-13): (3R,4R)-4-({5-chloro-4-[1-(1,1-difl...)
Show SMILES CC(C)n1c(nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl)C(C)(C)O
Show InChI InChI=1S/C23H30ClFN6O4S/c1-12(2)31-17-9-13(8-15(25)20(17)28-21(31)23(3,4)33)19-14(24)10-26-22(29-19)27-16-6-7-30(11-18(16)32)36(5,34)35/h8-10,12,16,18,32-33H,6-7,11H2,1-5H3,(H,26,27,29)/t16-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462174
PNG
((Scheme A-14): Preparation of (3R,4R)-4-[(5-chloro...)
Show SMILES CC(C(F)F)n1c(CO)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C21H24ClF3N6O4S/c1-10(20(24)25)31-15-6-11(5-13(23)19(15)28-17(31)9-32)18-12(22)7-26-21(29-18)27-14-3-4-30(8-16(14)33)36(2,34)35/h5-7,10,14,16,20,32-33H,3-4,8-9H2,1-2H3,(H,26,27,29)/t10?,14-,16-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462177
PNG
(US10766884, Example B01 | US11220494, Example B01)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1C#N
Show InChI InChI=1S/C22H26FN7O3S/c1-12(2)30-13(3)26-21-16(23)7-14(8-18(21)30)20-15(9-24)10-25-22(28-20)27-17-5-6-29(11-19(17)31)34(4,32)33/h7-8,10,12,17,19,31H,5-6,11H2,1-4H3,(H,25,27,28)/t17-,19-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462229
PNG
(US10766884, Example E01)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1cc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C22H27ClFN5O3S/c1-12(2)29-13(3)26-22-17(24)7-14(8-19(22)29)15-9-21(25-10-16(15)23)27-18-5-6-28(11-20(18)30)33(4,31)32/h7-10,12,18,20,30H,5-6,11H2,1-4H3,(H,25,27)/t18-,20-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462197
PNG
(US10766884, Example F15 | US11220494, Example F15)
Show SMILES CC(C)(C)n1cnc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F
Show InChI InChI=1S/C21H26F2N6O3S/c1-21(2,3)29-11-25-19-13(22)7-12(8-16(19)29)18-14(23)9-24-20(27-18)26-15-5-6-28(10-17(15)30)33(4,31)32/h7-9,11,15,17,30H,5-6,10H2,1-4H3,(H,24,26,27)/t15-,17-/m1/s1
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<0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462208
PNG
(US10766884, Example F26 | US11220494, Example F26)
Show SMILES CC(C)(C)n1cnc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)C(=O)C2(F)CNC2)ncc1Cl
Show InChI InChI=1S/C24H28ClF2N7O2/c1-23(2,3)34-12-30-20-15(26)6-13(7-17(20)34)19-14(25)8-29-22(32-19)31-16-4-5-33(9-18(16)35)21(36)24(27)10-28-11-24/h6-8,12,16,18,28,35H,4-5,9-11H2,1-3H3,(H,29,31,32)/t16-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462092
PNG
(US10766884, Example A09)
Show SMILES CC1(C)ccc2nc(F)c(cn12)-c1nc(N[C@H]2CCN(C[C@@H]2O)S(C)(=O)=O)ncc1Cl
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462100
PNG
(US10766884, Example A17 | US11220494, Example A17)
Show SMILES CCC1COCc2nc3c(F)cc(cc3n12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F
Show InChI InChI=1S/C22H26F2N5O5S/c1-3-13-9-33-10-19-27-21-14(23)6-12(7-17(21)29(13)19)20-15(24)8-25-22(28-20)26-16-4-5-34(11-18(16)30)35(2,31)32/h6-8,13,16,18,30H,3-5,9-11H2,1-2H3,(H,25,26,28)/t13?,16-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462108
PNG
(US10766884, Example A25)
Show SMILES CC(C)[N]1=C2C=C(C=C(F)C2N=C1C)c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C21H27ClFN6O3S/c1-11(2)29-12(3)25-20-15(23)7-13(8-17(20)29)19-14(22)9-24-21(27-19)26-16-5-6-28(10-18(16)30)33(4,31)32/h7-9,11,16,18,20,30H,5-6,10H2,1-4H3,(H,24,26,27)/t16-,18-,20?/m1/s1
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<0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462208
PNG
(US10766884, Example F26 | US11220494, Example F26)
Show SMILES CC(C)(C)n1cnc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)C(=O)C2(F)CNC2)ncc1Cl
Show InChI InChI=1S/C24H28ClF2N7O2/c1-23(2,3)34-12-30-20-15(26)6-13(7-17(20)34)19-14(25)8-29-22(32-19)31-16-4-5-33(9-18(16)35)21(36)24(27)10-28-11-24/h6-8,12,16,18,28,35H,4-5,9-11H2,1-3H3,(H,29,31,32)/t16-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462162
PNG
(US10766884, Example A78 | US11220494, Example A78)
Show SMILES Cc1nc2ccc(cc2n1C(C)(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F
Show InChI InChI=1S/C22H29FN6O3S/c1-13-25-16-7-6-14(10-18(16)29(13)22(2,3)4)20-15(23)11-24-21(27-20)26-17-8-9-28(12-19(17)30)33(5,31)32/h6-7,10-11,17,19,30H,8-9,12H2,1-5H3,(H,24,26,27)/t17-,19-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462173
PNG
((Scheme A-13): (3R,4R)-4-({5-chloro-4-[1-(1,1-difl...)
Show SMILES CC(C)n1c(nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl)C(C)(C)O
Show InChI InChI=1S/C23H30ClFN6O4S/c1-12(2)31-17-9-13(8-15(25)20(17)28-21(31)23(3,4)33)19-14(24)10-26-22(29-19)27-16-6-7-30(11-18(16)32)36(5,34)35/h8-10,12,16,18,32-33H,6-7,11H2,1-5H3,(H,26,27,29)/t16-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462174
PNG
((Scheme A-14): Preparation of (3R,4R)-4-[(5-chloro...)
Show SMILES CC(C(F)F)n1c(CO)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C21H24ClF3N6O4S/c1-10(20(24)25)31-15-6-11(5-13(23)19(15)28-17(31)9-32)18-12(22)7-26-21(29-18)27-14-3-4-30(8-16(14)33)36(2,34)35/h5-7,10,14,16,20,32-33H,3-4,8-9H2,1-2H3,(H,26,27,29)/t10?,14-,16-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462177
PNG
(US10766884, Example B01 | US11220494, Example B01)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1C#N
Show InChI InChI=1S/C22H26FN7O3S/c1-12(2)30-13(3)26-21-16(23)7-14(8-18(21)30)20-15(9-24)10-25-22(28-20)27-17-5-6-29(11-19(17)31)34(4,32)33/h7-8,10,12,17,19,31H,5-6,11H2,1-4H3,(H,25,27,28)/t17-,19-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462181
PNG
(US10766884, Example D01 | US11220494, Example E01)
Show SMILES C[C@H](O)c1nc2c(F)cc(cc2n1C(C)C)-c1cc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C23H29ClFN5O4S/c1-12(2)30-19-8-14(7-17(25)22(19)28-23(30)13(3)31)15-9-21(26-10-16(15)24)27-18-5-6-29(11-20(18)32)35(4,33)34/h7-10,12-13,18,20,31-32H,5-6,11H2,1-4H3,(H,26,27)/t13-,18+,20+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462080
PNG
(US10766884, Example A01 | US11220494, Example A01)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C21H26ClFN6O3S/c1-11(2)29-12(3)25-20-15(23)7-13(8-17(20)29)19-14(22)9-24-21(27-19)26-16-5-6-28(10-18(16)30)33(4,31)32/h7-9,11,16,18,30H,5-6,10H2,1-4H3,(H,24,26,27)/t16-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462081
PNG
(US10766884, Example A02 | US11220494, Example A02)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F
Show InChI InChI=1S/C21H26F2N6O3S/c1-11(2)29-12(3)25-20-14(22)7-13(8-17(20)29)19-15(23)9-24-21(27-19)26-16-5-6-28(10-18(16)30)33(4,31)32/h7-9,11,16,18,30H,5-6,10H2,1-4H3,(H,24,26,27)/t16-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM533351
PNG
(US11220494, Example A09)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(N[C@@H]2CCN(CC2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C22H26ClFN6O3S/c1-22(2)6-4-18-27-20-14(24)8-12(9-16(20)30(18)22)19-13(23)10-25-21(28-19)26-15-5-7-29(11-17(15)31)34(3,32)33/h8-10,15,17,31H,4-7,11H2,1-3H3,(H,25,26,28)/t15-,17?/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462100
PNG
(US10766884, Example A17 | US11220494, Example A17)
Show SMILES CCC1COCc2nc3c(F)cc(cc3n12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F
Show InChI InChI=1S/C22H26F2N5O5S/c1-3-13-9-33-10-19-27-21-14(23)6-12(7-17(21)29(13)19)20-15(24)8-25-22(28-20)26-16-4-5-34(11-18(16)30)35(2,31)32/h6-8,13,16,18,30H,3-5,9-11H2,1-2H3,(H,25,26,28)/t13?,16-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462080
PNG
(US10766884, Example A01 | US11220494, Example A01)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C21H26ClFN6O3S/c1-11(2)29-12(3)25-20-15(23)7-13(8-17(20)29)19-14(22)9-24-21(27-19)26-16-5-6-28(10-18(16)30)33(4,31)32/h7-9,11,16,18,30H,5-6,10H2,1-4H3,(H,24,26,27)/t16-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
CDK6/cyclin D1


(Homo sapiens (Human))
BDBM467012
PNG
((+)-6-(2,2-difluoroethyl)-8-[(1R*,2R*)-2-hydroxy-2...)
Show SMILES C[C@]1(O)CCC[C@@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC(F)F)c1=O
Show InChI InChI=1S/C21H29F2N5O4S/c1-21(30)7-3-4-16(21)28-18-14(10-13(19(28)29)11-17(22)23)12-24-20(26-18)25-15-5-8-27(9-6-15)33(2,31)32/h10,12,15-17,30H,3-9,11H2,1-2H3,(H,24,25,26)/t16-,21-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Therachem Research Medilab, LLC

Curated by ChEMBL


Assay Description
Inhibition of non-phosphorylated CDK6/Cyclin D1 (unknown origin) assessed as reduction in production of ADP using 5-FAM-RRRFRPASPLRGPPK peptide as su...


ACS Med Chem Lett 12: 182-184 (2021)

More data for this
Ligand-Target Pair
CDK6/cyclin D1


(Homo sapiens (Human))
BDBM370233
PNG
(US10233188, Example 120 | US10800783, Example 120)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC#N)c1=O
Show InChI InChI=1S/C21H28N6O4S/c1-21(29)8-3-4-17(21)27-18-15(12-14(5-9-22)19(27)28)13-23-20(25-18)24-16-6-10-26(11-7-16)32(2,30)31/h12-13,16-17,29H,3-8,10-11H2,1-2H3,(H,23,24,25)/t17-,21-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Therachem Research Medilab, LLC

Curated by ChEMBL


Assay Description
Inhibition of non-phosphorylated CDK6/Cyclin D1 (unknown origin) assessed as reduction in production of ADP using 5-FAM-RRRFRPASPLRGPPK peptide as su...


ACS Med Chem Lett 12: 182-184 (2021)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462113
PNG
(US10766884, Example A30 | US11220494, Example A30)
Show SMILES CC(C)n1c(nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl)C1COC1
Show InChI InChI=1S/C23H28ClFN6O4S/c1-12(2)31-18-7-13(6-16(25)21(18)28-22(31)14-10-35-11-14)20-15(24)8-26-23(29-20)27-17-4-5-30(9-19(17)32)36(3,33)34/h6-8,12,14,17,19,32H,4-5,9-11H2,1-3H3,(H,26,27,29)/t17-,19-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462119
PNG
(US10766884, Example A36 | US11220494, Example A36)
Show SMILES CC(O)c1nc2c(F)cc(cc2n1C(C)C(F)F)-c1nc(N[C@@H]2CCOC[C@H]2O)ncc1Cl
Show InChI InChI=1S/C21H23ClF3N5O3/c1-9(19(24)25)30-15-6-11(5-13(23)18(15)28-20(30)10(2)31)17-12(22)7-26-21(29-17)27-14-3-4-33-8-16(14)32/h5-7,9-10,14,16,19,31-32H,3-4,8H2,1-2H3,(H,26,27,29)/t9?,10?,14-,16-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462145
PNG
(US10766884, Example A61 | US11220494, Example A61)
Show SMILES C[C@H](O)c1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(N[C@@H]2CCOC[C@H]2O)ncc1Cl
Show InChI InChI=1S/C22H27ClFN5O3/c1-11(30)20-27-19-14(24)7-12(8-16(19)29(20)22(2,3)4)18-13(23)9-25-21(28-18)26-15-5-6-32-10-17(15)31/h7-9,11,15,17,30-31H,5-6,10H2,1-4H3,(H,25,26,28)/t11-,15+,17+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462145
PNG
(US10766884, Example A61 | US11220494, Example A61)
Show SMILES C[C@H](O)c1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(N[C@@H]2CCOC[C@H]2O)ncc1Cl
Show InChI InChI=1S/C22H27ClFN5O3/c1-11(30)20-27-19-14(24)7-12(8-16(19)29(20)22(2,3)4)18-13(23)9-25-21(28-18)26-15-5-6-32-10-17(15)31/h7-9,11,15,17,30-31H,5-6,10H2,1-4H3,(H,25,26,28)/t11-,15+,17+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462215
PNG
(US10766884, Example F33 | US11220494, Example F33)
Show SMILES CNC(=O)CN1CC[C@@H](Nc2cc(c(Cl)cn2)-c2ccc3ncn(c3n2)C(C)(C)C)[C@H](O)C1
Show InChI InChI=1S/C23H30ClN7O2/c1-23(2,3)31-13-27-18-6-5-16(29-22(18)31)14-9-20(26-10-15(14)24)28-17-7-8-30(11-19(17)32)12-21(33)25-4/h5-6,9-10,13,17,19,32H,7-8,11-12H2,1-4H3,(H,25,33)(H,26,28)/t17-,19-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462157
PNG
(US10766884, Example A73 | US10766884, Example A74 ...)
Show SMILES COCC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C22H28ClFN6O4S/c1-12(11-34-3)30-13(2)26-21-16(24)7-14(8-18(21)30)20-15(23)9-25-22(28-20)27-17-5-6-29(10-19(17)31)35(4,32)33/h7-9,12,17,19,31H,5-6,10-11H2,1-4H3,(H,25,27,28)/t12?,17-,19-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462160
PNG
(US10766884, Example A76)
Show SMILES CC(C)n1c(C)nc2ccc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F
Show InChI InChI=1S/C21H27FN6O3S/c1-12(2)28-13(3)24-16-6-5-14(9-18(16)28)20-15(22)10-23-21(26-20)25-17-7-8-27(11-19(17)29)32(4,30)31/h5-6,9-10,12,17,19,29H,7-8,11H2,1-4H3,(H,23,25,26)/t17-,19-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462169
PNG
((Scheme A-9): Preparation of (3R,4R)-4-({4-[1-(aze...)
Show SMILES CC(C)n1c(COC2CCCCO2)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C26H34ClFN6O5S/c1-15(2)34-20-11-16(10-18(28)25(20)31-22(34)14-39-23-6-4-5-9-38-23)24-17(27)12-29-26(32-24)30-19-7-8-33(13-21(19)35)40(3,36)37/h10-12,15,19,21,23,35H,4-9,13-14H2,1-3H3,(H,29,30,32)/t19-,21-,23?/m1/s1
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Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462172
PNG
((Scheme A-12): Preparation of (3R,4R)-4-({5-chloro...)
Show SMILES CS(=O)(=O)N1CC[C@@H](Nc2ncc(Cl)c(n2)-c2cc(F)c3nc(CO)n(CC(F)(F)F)c3c2)[C@H](O)C1
Show InChI InChI=1S/C20H21ClF4N6O4S/c1-36(34,35)30-3-2-13(15(33)7-30)27-19-26-6-11(21)17(29-19)10-4-12(22)18-14(5-10)31(9-20(23,24)25)16(8-32)28-18/h4-6,13,15,32-33H,2-3,7-9H2,1H3,(H,26,27,29)/t13-,15-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462175
PNG
((Scheme A-15): Preparation of 1,5-anhydro-3-({5-ch...)
Show SMILES C[C@@H](O)c1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C22H28ClFN6O4S/c1-11(2)30-17-8-13(7-15(24)20(17)27-21(30)12(3)31)19-14(23)9-25-22(28-19)26-16-5-6-29(10-18(16)32)35(4,33)34/h7-9,11-12,16,18,31-32H,5-6,10H2,1-4H3,(H,25,26,28)/t12-,16-,18-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462099
PNG
(US10766884, Example A16 | US11220494, Example A16)
Show SMILES CC(C)n1cnc2c(Cl)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C20H24Cl2N5O4S/c1-11(2)27-10-24-19-13(21)6-12(7-16(19)27)18-14(22)8-23-20(26-18)25-15-4-5-31(9-17(15)28)32(3,29)30/h6-8,10-11,15,17,28H,4-5,9H2,1-3H3,(H,23,25,26)/t15-,17-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462101
PNG
(US10766884, Example A18 | US11220494, Example A18)
Show SMILES CC1(C)COCc2nc3c(F)cc(cc3n12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F
Show InChI InChI=1S/C22H26F2N5O5S/c1-22(2)11-33-9-18-27-20-13(23)6-12(7-16(20)29(18)22)19-14(24)8-25-21(28-19)26-15-4-5-34(10-17(15)30)35(3,31)32/h6-8,15,17,30H,4-5,9-11H2,1-3H3,(H,25,26,28)/t15-,17-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM462109
PNG
(US10766884, Example A26 | US11220494, Example A26)
Show SMILES CC1(C)OCCn2nc3c(F)cc(cc3c12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C22H26ClFN6O4S/c1-22(2)20-13-8-12(9-15(24)19(13)28-30(20)6-7-34-22)18-14(23)10-25-21(27-18)26-16-4-5-29(11-17(16)31)35(3,32)33/h8-10,16-17,31H,4-7,11H2,1-3H3,(H,25,26,27)/t16-,17-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462215
PNG
(US10766884, Example F33 | US11220494, Example F33)
Show SMILES CNC(=O)CN1CC[C@@H](Nc2cc(c(Cl)cn2)-c2ccc3ncn(c3n2)C(C)(C)C)[C@H](O)C1
Show InChI InChI=1S/C23H30ClN7O2/c1-23(2,3)31-13-27-18-6-5-16(29-22(18)31)14-9-20(26-10-15(14)24)28-17-7-8-30(11-19(17)32)12-21(33)25-4/h5-6,9-10,13,17,19,32H,7-8,11-12H2,1-4H3,(H,25,33)(H,26,28)/t17-,19-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462157
PNG
(US10766884, Example A73 | US10766884, Example A74 ...)
Show SMILES COCC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C22H28ClFN6O4S/c1-12(11-34-3)30-13(2)26-21-16(24)7-14(8-18(21)30)20-15(23)9-25-22(28-20)27-17-5-6-29(10-19(17)31)35(4,32)33/h7-9,12,17,19,31H,5-6,10-11H2,1-4H3,(H,25,27,28)/t12?,17-,19-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM533418
PNG
(US11220494, Example A76)
Show SMILES CC(C)n1c(C)nc2ccc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C21H27ClN6O3S/c1-12(2)28-13(3)24-16-6-5-14(9-18(16)28)20-15(22)10-23-21(26-20)25-17-7-8-27(11-19(17)29)32(4,30)31/h5-6,9-10,12,17,19,29H,7-8,11H2,1-4H3,(H,23,25,26)/t17-,19-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462169
PNG
((Scheme A-9): Preparation of (3R,4R)-4-({4-[1-(aze...)
Show SMILES CC(C)n1c(COC2CCCCO2)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C26H34ClFN6O5S/c1-15(2)34-20-11-16(10-18(28)25(20)31-22(34)14-39-23-6-4-5-9-38-23)24-17(27)12-29-26(32-24)30-19-7-8-33(13-21(19)35)40(3,36)37/h10-12,15,19,21,23,35H,4-9,13-14H2,1-3H3,(H,29,30,32)/t19-,21-,23?/m1/s1
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Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462172
PNG
((Scheme A-12): Preparation of (3R,4R)-4-({5-chloro...)
Show SMILES CS(=O)(=O)N1CC[C@@H](Nc2ncc(Cl)c(n2)-c2cc(F)c3nc(CO)n(CC(F)(F)F)c3c2)[C@H](O)C1
Show InChI InChI=1S/C20H21ClF4N6O4S/c1-36(34,35)30-3-2-13(15(33)7-30)27-19-26-6-11(21)17(29-19)10-4-12(22)18-14(5-10)31(9-20(23,24)25)16(8-32)28-18/h4-6,13,15,32-33H,2-3,7-9H2,1H3,(H,26,27,29)/t13-,15-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462175
PNG
((Scheme A-15): Preparation of 1,5-anhydro-3-({5-ch...)
Show SMILES C[C@@H](O)c1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C22H28ClFN6O4S/c1-11(2)30-17-8-13(7-15(24)20(17)27-21(30)12(3)31)19-14(23)9-25-22(28-19)26-16-5-6-29(10-18(16)32)35(4,33)34/h7-9,11-12,16,18,31-32H,5-6,10H2,1-4H3,(H,25,26,28)/t12-,16-,18-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462099
PNG
(US10766884, Example A16 | US11220494, Example A16)
Show SMILES CC(C)n1cnc2c(Cl)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
Show InChI InChI=1S/C20H24Cl2N5O4S/c1-11(2)27-10-24-19-13(21)6-12(7-16(19)27)18-14(22)8-23-20(26-18)25-15-4-5-31(9-17(15)28)32(3,29)30/h6-8,10-11,15,17,28H,4-5,9H2,1-3H3,(H,23,25,26)/t15-,17-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM462101
PNG
(US10766884, Example A18 | US11220494, Example A18)
Show SMILES CC1(C)COCc2nc3c(F)cc(cc3n12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F
Show InChI InChI=1S/C22H26F2N5O5S/c1-22(2)11-33-9-18-27-20-13(23)6-12(7-16(20)29(18)22)19-14(24)8-25-21(28-19)26-15-4-5-34(10-17(15)30)35(3,31)32/h6-8,15,17,30H,4-5,9-11H2,1-3H3,(H,25,26,28)/t15-,17-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


US Patent US11220494 (2022)

More data for this
Ligand-Target Pair
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