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Compile Data Set for Download or QSAR

Found 399 hits of ki for UniProtKB: P30281   
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 6/G1/S-specific cyclin-D3


(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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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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0.400n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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0.900n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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0.900n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529784
PNG
(US11203594, Example 2)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CCCC2)c1=O
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1.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529895
PNG
(US11203594, Example 5)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)cc2n(C2CCCC2)c1=O
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1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM50521937
PNG
(CHEMBL4564687)
Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCF)C3)C2)ncc1F |r|
Show InChI InChI=1S/C25H30F2N8/c1-17-4-2-3-8-35-23(17)19(11-30-35)22-20(27)12-29-24(32-22)31-21-6-5-18(10-28-21)34-15-25(16-34)13-33(14-25)9-7-26/h5-6,10-12,17H,2-4,7-9,13-16H2,1H3,(H,28,29,31,32)/t17-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...


Bioorg Med Chem Lett 29: 2294-2301 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM50521935
PNG
(CHEMBL4589135)
Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C)C3)C2)ncc1F |r|
Show InChI InChI=1S/C24H29FN8/c1-16-5-3-4-8-33-22(16)18(10-28-33)21-19(25)11-27-23(30-21)29-20-7-6-17(9-26-20)32-14-24(15-32)12-31(2)13-24/h6-7,9-11,16H,3-5,8,12-15H2,1-2H3,(H,26,27,29,30)/t16-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...


Bioorg Med Chem Lett 29: 2294-2301 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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1.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM50501588
PNG
(CHEMBL4102076)
Show SMILES FC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C22H25F3N8S/c23-22(24,25)19-18(34-21(32-19)29-14-3-1-2-4-14)16-7-8-27-20(30-16)31-17-6-5-15(13-28-17)33-11-9-26-10-12-33/h5-8,13-14,26H,1-4,9-12H2,(H,29,32)(H,27,28,30,31)
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2n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK6/cyclin D3 (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay


J Med Chem 60: 1892-1915 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01670
BindingDB Entry DOI: 10.7270/Q29Z97XG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529656
PNG
(US11203594, Example 1)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CCC2)c1=O
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM462156
PNG
(US10766884, Example A72 | US11220494, Example A72)
Show SMILES Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl |r|
Show InChI InChI=1S/C21H24ClFN6O3S/c1-11-25-20-15(23)7-12(8-17(20)29(11)13-3-4-13)19-14(22)9-24-21(27-19)26-16-5-6-28(10-18(16)30)33(2,31)32/h7-9,13,16,18,30H,3-6,10H2,1-2H3,(H,24,26,27)/t16-,18-/m1/s1
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2.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM462156
PNG
(US10766884, Example A72 | US11220494, Example A72)
Show SMILES Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl |r|
Show InChI InChI=1S/C21H24ClFN6O3S/c1-11-25-20-15(23)7-12(8-17(20)29(11)13-3-4-13)19-14(22)9-24-21(27-19)26-16-5-6-28(10-18(16)30)33(2,31)32/h7-9,13,16,18,30H,3-6,10H2,1-2H3,(H,24,26,27)/t16-,18-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529894
PNG
(US11203594, Example 4)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(N[C@@H]3CCOC[C@H]3O)ncc2c(C)c(C(C)=O)c1=O
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2.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529893
PNG
(US11203594, Example 3)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CC3(CNC3)C2)c1=O
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TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM50521938
PNG
(CHEMBL4545456)
Show SMILES CCN1CC2(C1)CN(C2)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCC[C@@H](C)c23)nc1 |r|
Show InChI InChI=1S/C25H31FN8/c1-3-32-13-25(14-32)15-33(16-25)18-7-8-21(27-10-18)30-24-28-12-20(26)22(31-24)19-11-29-34-9-5-4-6-17(2)23(19)34/h7-8,10-12,17H,3-6,9,13-16H2,1-2H3,(H,27,28,30,31)/t17-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression...


Bioorg Med Chem Lett 29: 2294-2301 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.021
BindingDB Entry DOI: 10.7270/Q2C250VT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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2.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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2.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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 |r|
Show InChI InChI=1S/C22H26F2N6O4S/c1-22(2)11-34-10-18-27-20-13(23)6-12(7-16(20)30(18)22)19-14(24)8-25-21(28-19)26-15-4-5-29(9-17(15)31)35(3,32)33/h6-8,15,17,31H,4-5,9-11H2,1-3H3,(H,25,26,28)/t15-,17-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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2.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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 |r|
Show InChI InChI=1S/C22H26F2N6O4S/c1-22(2)11-34-10-18-27-20-13(23)6-12(7-16(20)30(18)22)19-14(24)8-25-21(28-19)26-15-4-5-29(9-17(15)31)35(3,32)33/h6-8,15,17,31H,4-5,9-11H2,1-3H3,(H,25,26,28)/t15-,17-/m1/s1
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TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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2.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM462098
PNG
(US10766884, Example A15 | US11220494, Example A15)
Show SMILES CS(=O)(=O)N1CC[C@@H](Nc2ncc(Cl)c(n2)-c2cc(F)c3ncn(C4CC4)c3c2)[C@H](O)C1 |r|
Show InChI InChI=1S/C20H22ClFN6O3S/c1-32(30,31)27-5-4-15(17(29)9-27)25-20-23-8-13(21)18(26-20)11-6-14(22)19-16(7-11)28(10-24-19)12-2-3-12/h6-8,10,12,15,17,29H,2-5,9H2,1H3,(H,23,25,26)/t15-,17-/m1/s1
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TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM462098
PNG
(US10766884, Example A15 | US11220494, Example A15)
Show SMILES CS(=O)(=O)N1CC[C@@H](Nc2ncc(Cl)c(n2)-c2cc(F)c3ncn(C4CC4)c3c2)[C@H](O)C1 |r|
Show InChI InChI=1S/C20H22ClFN6O3S/c1-32(30,31)27-5-4-15(17(29)9-27)25-20-23-8-13(21)18(26-20)11-6-14(22)19-16(7-11)28(10-24-19)12-2-3-12/h6-8,10,12,15,17,29H,2-5,9H2,1H3,(H,23,25,26)/t15-,17-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529904
PNG
(US11203594, Example 14 | US11203594, Example 15)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)cc2n(C2CCC(O)C2)c1=O
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2.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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 |r|
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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TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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 |r|
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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Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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 |r|
Show InChI InChI=1S/C20H24Cl2N6O3S/c1-11(2)28-10-24-19-13(21)6-12(7-16(19)28)18-14(22)8-23-20(26-18)25-15-4-5-27(9-17(15)29)32(3,30)31/h6-8,10-11,15,17,29H,4-5,9H2,1-3H3,(H,23,25,26)/t15-,17-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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 |r|
Show InChI InChI=1S/C20H24Cl2N6O3S/c1-11(2)28-10-24-19-13(21)6-12(7-16(19)28)18-14(22)8-23-20(26-18)25-15-4-5-27(9-17(15)29)32(3,30)31/h6-8,10-11,15,17,29H,4-5,9H2,1-3H3,(H,23,25,26)/t15-,17-/m1/s1
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TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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Pfizer Inc.

US Patent


Assay Description
CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small mo...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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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TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q2XG9V9M
More data for this
Ligand-Target Pair
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