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Compile Data Set for Download or QSAR

Found 678 hits of ki for UniProtKB: P24385   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
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 |r|
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


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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0n/an/an/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))
BDBM370149
PNG
(US10233188, Example 37 | US10800783, Example 37 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C)c1=O |r|
Show InChI InChI=1S/C20H29N5O3S/c1-13-5-4-6-17(13)25-18-15(11-14(2)19(25)26)12-21-20(23-18)22-16-7-9-24(10-8-16)29(3,27)28/h11-13,16-17H,4-10H2,1-3H3,(H,21,22,23)/t13-,17+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific 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 |r|
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


TBA

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...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00017
BindingDB Entry DOI: 10.7270/Q2GF0Z4T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))
BDBM370162
PNG
(US10233188, Example 50 | US10800783, Example 50 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CO)c1=O |r|
Show InChI InChI=1S/C20H29N5O4S/c1-13-4-3-5-17(13)25-18-14(10-15(12-26)19(25)27)11-21-20(23-18)22-16-6-8-24(9-7-16)30(2,28)29/h10-11,13,16-17,26H,3-9,12H2,1-2H3,(H,21,22,23)/t13-,17+/m0/s1
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0.0800n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(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 |r|
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


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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
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0.100n/an/an/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
Show InChI InChI=1S/C22H26F2N6O4S/c1-3-13-10-34-11-19-27-21-14(23)6-12(7-17(21)30(13)19)20-15(24)8-25-22(28-20)26-16-4-5-29(9-18(16)31)35(2,32)33/h6-8,13,16,18,31H,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


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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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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)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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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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)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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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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)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
Show InChI InChI=1S/C22H26F2N6O4S/c1-3-13-10-34-11-19-27-21-14(23)6-12(7-17(21)30(13)19)20-15(24)8-25-22(28-20)26-16-4-5-29(9-18(16)31)35(2,32)33/h6-8,13,16,18,31H,3-5,9-11H2,1-2H3,(H,25,26,28)/t13?,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)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r,c:3,5,12,t:7|
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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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)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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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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)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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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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)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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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TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))
BDBM370219
PNG
(US10233188, Example 106 | US10233188, Example 109 ...)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CCS(=O)(=O)C3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r|
Show InChI InChI=1S/C23H33N5O6S2/c1-15-12-16-13-24-22(26-20(16)28(21(15)29)19-4-3-8-23(19,2)30)25-17-5-9-27(10-6-17)36(33,34)18-7-11-35(31,32)14-18/h12-13,17-19,30H,3-11,14H2,1-2H3,(H,24,25,26)/t18?,19-,23-/m1/s1
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0.110n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))
BDBM370115
PNG
(4-({6-(2-hydroxyethyl)-8-[(1R,2S)-2-methylcyclopen...)
Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n([C@@H]3CCC[C@@H]3C)c2n1 |r|
Show InChI InChI=1S/C21H32N6O4S/c1-14-4-3-5-18(14)27-19-16(12-15(8-11-28)20(27)29)13-23-21(25-19)24-17-6-9-26(10-7-17)32(30,31)22-2/h12-14,17-18,22,28H,3-11H2,1-2H3,(H,23,24,25)/t14-,18+/m0/s1
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0.120n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific 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 |r|
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


TBA

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...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00017
BindingDB Entry DOI: 10.7270/Q2GF0Z4T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))
BDBM370163
PNG
(US10233188, Example 51 | US10800783, Example 51 | ...)
Show SMILES C[C@@H]1CCC[C@@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CO)c1=O |r|
Show InChI InChI=1S/C20H29N5O4S/c1-13-4-3-5-17(13)25-18-14(10-15(12-26)19(25)27)11-21-20(23-18)22-16-6-8-24(9-7-16)30(2,28)29/h10-11,13,16-17,26H,3-9,12H2,1-2H3,(H,21,22,23)/t13-,17+/m1/s1
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0.130n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))
BDBM370147
PNG
(US10233188, Example 36 | US10800783, Example 36 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
Show InChI InChI=1S/C19H27N5O3S/c1-13-4-3-5-16(13)24-17(25)7-6-14-12-20-19(22-18(14)24)21-15-8-10-23(11-9-15)28(2,26)27/h6-7,12-13,15-16H,3-5,8-11H2,1-2H3,(H,20,21,22)/t13-,16+/m0/s1
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0.130n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))
BDBM467013
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 |r|
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-/m1/s1
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0.130n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))
BDBM370152
PNG
(US10233188, Example 40 | US10800783, Example 40 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CCO)c1=O |r|
Show InChI InChI=1S/C21H31N5O4S/c1-14-4-3-5-18(14)26-19-16(12-15(8-11-27)20(26)28)13-22-21(24-19)23-17-6-9-25(10-7-17)31(2,29)30/h12-14,17-18,27H,3-11H2,1-2H3,(H,22,23,24)/t14-,18+/m0/s1
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0.140n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))
BDBM370290
PNG
(BDBM467185 | US10233188, Example 177)
Show SMILES CC(=O)c1c(C)c2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r|
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0.140n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))
BDBM370227
PNG
(US10233188, Example 114 | US10800783, Example 114 ...)
Show SMILES COCCS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r|
Show InChI InChI=1S/C22H33N5O5S/c1-15-13-16-14-23-21(24-17-6-9-26(10-7-17)33(30,31)12-11-32-3)25-19(16)27(20(15)28)18-5-4-8-22(18,2)29/h13-14,17-18,29H,4-12H2,1-3H3,(H,23,24,25)/t18-,22-/m1/s1
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0.150n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))
BDBM370325
PNG
(BDBM467220 | US10233188, Example 212)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C(F)F)c(=O)n([C@@H]3CCC[C@@H](O)C3)c2n1 |r|
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0.170n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))
BDBM370317
PNG
(BDBM467212 | US10233188, Example 204)
Show SMILES C[C@@H]1[C@H](O)CC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O |r|
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0.180n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(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 |r|
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


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific 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 |r|
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


TBA

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...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00017
BindingDB Entry DOI: 10.7270/Q2GF0Z4T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))
BDBM370219
PNG
(US10233188, Example 106 | US10233188, Example 109 ...)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CCS(=O)(=O)C3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r|
Show InChI InChI=1S/C23H33N5O6S2/c1-15-12-16-13-24-22(26-20(16)28(21(15)29)19-4-3-8-23(19,2)30)25-17-5-9-27(10-6-17)36(33,34)18-7-11-35(31,32)14-18/h12-13,17-19,30H,3-11,14H2,1-2H3,(H,24,25,26)/t18?,19-,23-/m1/s1
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0.190n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))
BDBM370256
PNG
(BDBM467151 | US10233188, Example 143)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CO)c(=O)n(C3CCCC3)c2n1
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0.190n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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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0.200n/an/an/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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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0.200n/an/an/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 |r|
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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0.200n/an/an/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
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