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Compile Data Set for Download or QSAR

Found 52 hits of ki data for complexid = 50000016   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(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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 0.160n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose CDK4/Cyclin D3 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/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(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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TBA

Assay Description
Inhibition of non-phosphorylated CDK4/Cyclin D3 (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 4/G1/S-specific cyclin-D3


(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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Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370119
PNG
(US10233188, Example 8)
Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CC(F)F)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r|
Show InChI InChI=1S/C21H30F2N6O4S/c1-21(31)7-3-4-16(21)29-18-14(10-13(19(29)30)11-17(22)23)12-25-20(27-18)26-15-5-8-28(9-6-15)34(32,33)24-2/h10,12,15-17,24,31H,3-9,11H2,1-2H3,(H,25,26,27)/t16-,21-/m1/s1
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CNRS



Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50521925
PNG
(CHEMBL4529532)
Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(CCCF)C3)C2)ncc1F |r|
Show InChI InChI=1S/C26H32F2N8/c1-18-5-2-3-10-36-24(18)20(12-31-36)23-21(28)13-30-25(33-23)32-22-7-6-19(11-29-22)35-16-26(17-35)14-34(15-26)9-4-8-27/h6-7,11-13,18H,2-5,8-10,14-17H2,1H3,(H,29,30,32,33)/t18-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/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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Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/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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<0.300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50521933
PNG
(CHEMBL4440980)
Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r|
Show InChI InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m1/s1
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<0.300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/G1/S-specific cyclin-D3


(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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CNRS



Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(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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TBA

Assay Description
Inhibition of non-phosphorylated CDK4/Cyclin D3 (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 4/G1/S-specific cyclin-D3


(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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Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(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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TBA

Assay Description
The purpose CDK4/Cyclin D3 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/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50521936
PNG
(CHEMBL4560219)
Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CC3(CN(C3)C3COC3)C2)ncc1F |r|
Show InChI InChI=1S/C26H31FN8O/c1-17-4-2-3-7-35-24(17)20(9-30-35)23-21(27)10-29-25(32-23)31-22-6-5-18(8-28-22)33-13-26(14-33)15-34(16-26)19-11-36-12-19/h5-6,8-10,17,19H,2-4,7,11-16H2,1H3,(H,28,29,31,32)/t17-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50521934
PNG
(CHEMBL4546255)
Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F |r|
Show InChI InChI=1S/C22H26FN7O/c1-15-4-2-3-7-30-21(15)17(13-26-30)20-18(23)14-25-22(28-20)27-19-6-5-16(12-24-19)29-8-10-31-11-9-29/h5-6,12-15H,2-4,7-11H2,1H3,(H,24,25,27,28)/t15-/m1/s1
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370140
PNG
(US10233188, Example 29 | US10800783, Example 29 | ...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C18H24ClN5O3S/c1-28(26,27)23-8-6-13(7-9-23)21-18-20-11-12-10-15(19)17(25)24(16(12)22-18)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,20,21,22)
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 0.660n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370140
PNG
(US10233188, Example 29 | US10800783, Example 29 | ...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C18H24ClN5O3S/c1-28(26,27)23-8-6-13(7-9-23)21-18-20-11-12-10-15(19)17(25)24(16(12)22-18)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,20,21,22)
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CNRS



Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370140
PNG
(US10233188, Example 29 | US10800783, Example 29 | ...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C18H24ClN5O3S/c1-28(26,27)23-8-6-13(7-9-23)21-18-20-11-12-10-15(19)17(25)24(16(12)22-18)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,20,21,22)
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 0.660n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose CDK4/Cyclin D3 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/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370140
PNG
(US10233188, Example 29 | US10800783, Example 29 | ...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C18H24ClN5O3S/c1-28(26,27)23-8-6-13(7-9-23)21-18-20-11-12-10-15(19)17(25)24(16(12)22-18)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,20,21,22)
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 0.660n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of non-phosphorylated CDK4/Cyclin D3 (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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50521927
PNG
(CHEMBL4466797)
Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F |r|
Show InChI InChI=1S/C24H30FN7/c1-16-5-3-4-10-32-23(16)19(14-28-32)22-20(25)15-27-24(30-22)29-21-7-6-18(13-26-21)17-8-11-31(2)12-9-17/h6-7,13-17H,3-5,8-12H2,1-2H3,(H,26,27,29,30)/t16-/m1/s1
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 0.800n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370235
PNG
(US10233188, Example 122 | US10800783, Example 122 ...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CCO)c1=O |r|
Show InChI InChI=1S/C21H31N5O5S/c1-21(29)8-3-4-17(21)26-18-15(12-14(7-11-27)19(26)28)13-22-20(24-18)23-16-5-9-25(10-6-16)32(2,30)31/h12-13,16-17,27,29H,3-11H2,1-2H3,(H,22,23,24)/t17-,21-/m1/s1
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 0.920n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose CDK4/Cyclin D3 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/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370235
PNG
(US10233188, Example 122 | US10800783, Example 122 ...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CCO)c1=O |r|
Show InChI InChI=1S/C21H31N5O5S/c1-21(29)8-3-4-17(21)26-18-15(12-14(7-11-27)19(26)28)13-22-20(24-18)23-16-5-9-25(10-6-16)32(2,30)31/h12-13,16-17,27,29H,3-11H2,1-2H3,(H,22,23,24)/t17-,21-/m1/s1
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 0.920n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370235
PNG
(US10233188, Example 122 | US10800783, Example 122 ...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CCO)c1=O |r|
Show InChI InChI=1S/C21H31N5O5S/c1-21(29)8-3-4-17(21)26-18-15(12-14(7-11-27)19(26)28)13-22-20(24-18)23-16-5-9-25(10-6-16)32(2,30)31/h12-13,16-17,27,29H,3-11H2,1-2H3,(H,22,23,24)/t17-,21-/m1/s1
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 0.920n/an/an/an/an/an/an/an/a



CNRS



Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50521924
PNG
(CHEMBL4578267)
Show SMILES C[C@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r|
Show InChI InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m0/s1
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 1n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50521940
PNG
(CHEMBL4539133)
Show SMILES C[C@@H]1CCCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)ncc1F |r|
Show InChI InChI=1S/C25H33FN8/c1-17-6-4-5-11-34-24(17)20(15-29-34)23-21(26)16-28-25(31-23)30-22-8-7-19(14-27-22)33-12-9-18(10-13-33)32(2)3/h7-8,14-18H,4-6,9-13H2,1-3H3,(H,27,28,30,31)/t17-/m1/s1
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 1n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370120
PNG
(6-chloro-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Cl)c1=O |r|
Show InChI InChI=1S/C19H26ClN5O4S/c1-19(27)7-3-4-15(19)25-16-12(10-14(20)17(25)26)11-21-18(23-16)22-13-5-8-24(9-6-13)30(2,28)29/h10-11,13,15,27H,3-9H2,1-2H3,(H,21,22,23)/t15-,19-/m1/s1
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 1.12n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370120
PNG
(6-chloro-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Cl)c1=O |r|
Show InChI InChI=1S/C19H26ClN5O4S/c1-19(27)7-3-4-15(19)25-16-12(10-14(20)17(25)26)11-21-18(23-16)22-13-5-8-24(9-6-13)30(2,28)29/h10-11,13,15,27H,3-9H2,1-2H3,(H,21,22,23)/t15-,19-/m1/s1
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 1.12n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose CDK4/Cyclin D3 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/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370120
PNG
(6-chloro-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Cl)c1=O |r|
Show InChI InChI=1S/C19H26ClN5O4S/c1-19(27)7-3-4-15(19)25-16-12(10-14(20)17(25)26)11-21-18(23-16)22-13-5-8-24(9-6-13)30(2,28)29/h10-11,13,15,27H,3-9H2,1-2H3,(H,21,22,23)/t15-,19-/m1/s1
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 1.12n/an/an/an/an/an/an/an/a



CNRS



Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50521939
PNG
(CHEMBL4520067)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cnn4CCCC[C@@H](C)c34)nc2)CC1 |r|
Show InChI InChI=1S/C25H33FN8/c1-3-32-10-12-33(13-11-32)17-19-7-8-22(27-14-19)30-25-28-16-21(26)23(31-25)20-15-29-34-9-5-4-6-18(2)24(20)34/h7-8,14-16,18H,3-6,9-13,17H2,1-2H3,(H,27,28,30,31)/t18-/m1/s1
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 1.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/G1/S-specific cyclin-D3


(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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 1.37n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose CDK4/Cyclin D3 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/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(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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 1.37n/an/an/an/an/an/an/an/a



CNRS



Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(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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 1.37n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


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


TBA

Assay Description
Inhibition of non-phosphorylated CDK4/Cyclin D3 (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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50521926
PNG
(CHEMBL4561999)
Show SMILES C[C@@H]1CCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r|
Show InChI InChI=1S/C22H27FN8/c1-15-4-3-7-31-21(15)17(13-26-31)20-18(23)14-25-22(28-20)27-19-6-5-16(12-24-19)30-10-8-29(2)9-11-30/h5-6,12-15H,3-4,7-11H2,1-2H3,(H,24,25,27,28)/t15-/m1/s1
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 1.40n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370113
PNG
(8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(m...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
Show InChI InChI=1S/C19H27N5O4S/c1-19(26)9-3-4-15(19)24-16(25)6-5-13-12-20-18(22-17(13)24)21-14-7-10-23(11-8-14)29(2,27)28/h5-6,12,14-15,26H,3-4,7-11H2,1-2H3,(H,20,21,22)/t15-,19-/m1/s1
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 1.55n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose CDK4/Cyclin D3 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/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370113
PNG
(8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(m...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
Show InChI InChI=1S/C19H27N5O4S/c1-19(26)9-3-4-15(19)24-16(25)6-5-13-12-20-18(22-17(13)24)21-14-7-10-23(11-8-14)29(2,27)28/h5-6,12,14-15,26H,3-4,7-11H2,1-2H3,(H,20,21,22)/t15-,19-/m1/s1
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 1.55n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370113
PNG
(8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(m...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
Show InChI InChI=1S/C19H27N5O4S/c1-19(26)9-3-4-15(19)24-16(25)6-5-13-12-20-18(22-17(13)24)21-14-7-10-23(11-8-14)29(2,27)28/h5-6,12,14-15,26H,3-4,7-11H2,1-2H3,(H,20,21,22)/t15-,19-/m1/s1
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 1.55n/an/an/an/an/an/an/an/a



CNRS



Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370113
PNG
(8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(m...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
Show InChI InChI=1S/C19H27N5O4S/c1-19(26)9-3-4-15(19)24-16(25)6-5-13-12-20-18(22-17(13)24)21-14-7-10-23(11-8-14)29(2,27)28/h5-6,12,14-15,26H,3-4,7-11H2,1-2H3,(H,20,21,22)/t15-,19-/m1/s1
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 1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of non-phosphorylated CDK4/Cyclin D3 (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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50521932
PNG
(CHEMBL4588989)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCCCc23)nc1
Show InChI InChI=1S/C22H27FN8/c1-29-9-11-30(12-10-29)16-6-7-20(24-13-16)27-22-25-15-18(23)21(28-22)17-14-26-31-8-4-2-3-5-19(17)31/h6-7,13-15H,2-5,8-12H2,1H3,(H,24,25,27,28)
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 1.80n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50521928
PNG
(CHEMBL4536835)
Show SMILES CC(C)c1c(cnn1C)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C21H27FN8/c1-14(2)20-16(12-25-29(20)4)19-17(22)13-24-21(27-19)26-18-6-5-15(11-23-18)30-9-7-28(3)8-10-30/h5-6,11-14H,7-10H2,1-4H3,(H,23,24,26,27)
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 2.70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370114
PNG
(8-[(1R,3R)-3-hydroxycyclohexyl]-2-{[1-(methylsulfo...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H](O)C3)c2n1 |r|
Show InChI InChI=1S/C19H27N5O4S/c1-29(27,28)23-9-7-14(8-10-23)21-19-20-12-13-5-6-17(26)24(18(13)22-19)15-3-2-4-16(25)11-15/h5-6,12,14-16,25H,2-4,7-11H2,1H3,(H,20,21,22)/t15-,16-/m1/s1
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 3.43n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370114
PNG
(8-[(1R,3R)-3-hydroxycyclohexyl]-2-{[1-(methylsulfo...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H](O)C3)c2n1 |r|
Show InChI InChI=1S/C19H27N5O4S/c1-29(27,28)23-9-7-14(8-10-23)21-19-20-12-13-5-6-17(26)24(18(13)22-19)15-3-2-4-16(25)11-15/h5-6,12,14-16,25H,2-4,7-11H2,1H3,(H,20,21,22)/t15-,16-/m1/s1
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 3.43n/an/an/an/an/an/an/an/a



CNRS



Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370114
PNG
(8-[(1R,3R)-3-hydroxycyclohexyl]-2-{[1-(methylsulfo...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H](O)C3)c2n1 |r|
Show InChI InChI=1S/C19H27N5O4S/c1-29(27,28)23-9-7-14(8-10-23)21-19-20-12-13-5-6-17(26)24(18(13)22-19)15-3-2-4-16(25)11-15/h5-6,12,14-16,25H,2-4,7-11H2,1H3,(H,20,21,22)/t15-,16-/m1/s1
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 3.43n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose CDK4/Cyclin D3 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/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50521941
PNG
(CHEMBL4569666)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cnn3CCCCc23)nc1
Show InChI InChI=1S/C21H25FN8/c1-28-8-10-29(11-9-28)15-5-6-19(23-12-15)26-21-24-14-17(22)20(27-21)16-13-25-30-7-3-2-4-18(16)30/h5-6,12-14H,2-4,7-11H2,1H3,(H,23,24,26,27)
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 3.60n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50521931
PNG
(CHEMBL4435669)
Show SMILES C[C@H]1CCCn2ncc(c12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r|
Show InChI InChI=1S/C22H27FN8/c1-15-4-3-7-31-21(15)17(13-26-31)20-18(23)14-25-22(28-20)27-19-6-5-16(12-24-19)30-10-8-29(2)9-11-30/h5-6,12-15H,3-4,7-11H2,1-2H3,(H,24,25,27,28)/t15-/m0/s1
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 3.80n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM467011
PNG
((-)-6-fluoro-8-[(1R*,2R*)-2-hydroxy-2-methylcyclop...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(F)c1=O |r|
Show InChI InChI=1S/C19H26FN5O4S/c1-19(27)7-3-4-15(19)25-16-12(10-14(20)17(25)26)11-21-18(23-16)22-13-5-8-24(9-6-13)30(2,28)29/h10-11,13,15,27H,3-9H2,1-2H3,(H,21,22,23)/t15-,19-/m1/s1
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 3.94n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose CDK4/Cyclin D3 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/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM467011
PNG
((-)-6-fluoro-8-[(1R*,2R*)-2-hydroxy-2-methylcyclop...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(F)c1=O |r|
Show InChI InChI=1S/C19H26FN5O4S/c1-19(27)7-3-4-15(19)25-16-12(10-14(20)17(25)26)11-21-18(23-16)22-13-5-8-24(9-6-13)30(2,28)29/h10-11,13,15,27H,3-9H2,1-2H3,(H,21,22,23)/t15-,19-/m1/s1
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 3.94n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM370117
PNG
(US10233188, Example 124 | US10233188, Example 6 | ...)
Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(F)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r|
Show InChI InChI=1S/C19H27FN6O4S/c1-19(28)7-3-4-15(19)26-16-12(10-14(20)17(26)27)11-22-18(24-16)23-13-5-8-25(9-6-13)31(29,30)21-2/h10-11,13,15,21,28H,3-9H2,1-2H3,(H,22,23,24)/t15-,19-/m1/s1
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 3.94n/an/an/an/an/an/an/an/a



CNRS



Assay Description
The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...

J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50330290
PNG
(CHEMBL1272326 | Cyclohexyl-[4-(3-isopropyl-1H-pyra...)
Show SMILES CC(C)c1[nH]ncc1-c1ccnc(NC2CCCCC2)n1
Show InChI InChI=1S/C16H23N5/c1-11(2)15-13(10-18-21-15)14-8-9-17-16(20-14)19-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,18,21)(H,17,19,20)
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 18n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50521923
PNG
(CHEMBL4438971)
Show SMILES COCCN1CCC(CC1)Nc1nccc(n1)-c1cn[nH]c1C(C)C
Show InChI InChI=1S/C18H28N6O/c1-13(2)17-15(12-20-23-17)16-4-7-19-18(22-16)21-14-5-8-24(9-6-14)10-11-25-3/h4,7,12-14H,5-6,8-11H2,1-3H3,(H,20,23)(H,19,21,22)
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 20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged CDK4 (1 to 303(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
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