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Compile Data Set for Download or QSAR

Found 950 hits of ic50 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))		BDBM513484
PNG
(4-(3,3-diethyl-7-fluoro-2-methyl-3H-indol-5-yl)-5-...)
Show SMILES CCC1(CC)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F |c:6|
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TBA

Assay Description
 1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464609
PNG
(CHEMBL4289226 | US11091476, Example 20)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:25|
Show InChI InChI=1S/C27H29F2N7/c1-17-27(7-3-4-8-27)20-13-18(14-21(28)25(20)32-17)24-22(29)16-31-26(34-24)33-23-6-5-19(15-30-23)36-11-9-35(2)10-12-36/h5-6,13-16H,3-4,7-12H2,1-2H3,(H,30,31,33,34)
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TBA

Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464633
PNG
(CHEMBL4285830 | US11091476, Example 13)
Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCNCC3)ncc2F)C11CCCC1 |t:1|
Show InChI InChI=1S/C27H28F2N6/c1-16-27(8-2-3-9-27)20-12-19(13-21(28)25(20)33-16)24-22(29)15-32-26(35-24)34-23-5-4-18(14-31-23)17-6-10-30-11-7-17/h4-5,12-15,17,30H,2-3,6-11H2,1H3,(H,31,32,34,35)
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TBA

Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464633
PNG
(CHEMBL4285830 | US11091476, Example 13)
Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCNCC3)ncc2F)C11CCCC1 |t:1|
Show InChI InChI=1S/C27H28F2N6/c1-16-27(8-2-3-9-27)20-12-19(13-21(28)25(20)33-16)24-22(29)15-32-26(35-24)34-23-5-4-18(14-31-23)17-6-10-30-11-7-17/h4-5,12-15,17,30H,2-3,6-11H2,1H3,(H,31,32,34,35)
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TBA

Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464633
PNG
(CHEMBL4285830 | US11091476, Example 13)
Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCNCC3)ncc2F)C11CCCC1 |t:1|
Show InChI InChI=1S/C27H28F2N6/c1-16-27(8-2-3-9-27)20-12-19(13-21(28)25(20)33-16)24-22(29)15-32-26(35-24)34-23-5-4-18(14-31-23)17-6-10-30-11-7-17/h4-5,12-15,17,30H,2-3,6-11H2,1H3,(H,31,32,34,35)
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TBA

Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM601953
PNG
(2'-((4-(piperazine-1- carbonyl)phenyl)amino)-7',8'...)
Show SMILES O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)cc1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VX0MGD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464633
PNG
(CHEMBL4285830 | US11091476, Example 13)
Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCNCC3)ncc2F)C11CCCC1 |t:1|
Show InChI InChI=1S/C27H28F2N6/c1-16-27(8-2-3-9-27)20-12-19(13-21(28)25(20)33-16)24-22(29)15-32-26(35-24)34-23-5-4-18(14-31-23)17-6-10-30-11-7-17/h4-5,12-15,17,30H,2-3,6-11H2,1H3,(H,31,32,34,35)
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Beijing Normal University

Curated by ChEMBL


Assay Description
Inhibition of CDK6/Cyclin-D3 (unknown origin) using histoneH1 as substrate after 90 mins by ADP-Glo assay

Eur J Med Chem 144: 1-28 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.003
BindingDB Entry DOI: 10.7270/Q28C9ZX0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464614
PNG
(CHEMBL4277525 | US11091476, Example 6)
Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)N3CCNCC3)ncc2F)C11CCCC1 |t:1|
Show InChI InChI=1S/C26H27F2N7/c1-16-26(6-2-3-7-26)19-12-17(13-20(27)24(19)32-16)23-21(28)15-31-25(34-23)33-22-5-4-18(14-30-22)35-10-8-29-9-11-35/h4-5,12-15,29H,2-3,6-11H2,1H3,(H,30,31,33,34)
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TBA

Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464614
PNG
(CHEMBL4277525 | US11091476, Example 6)
Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)N3CCNCC3)ncc2F)C11CCCC1 |t:1|
Show InChI InChI=1S/C26H27F2N7/c1-16-26(6-2-3-7-26)19-12-17(13-20(27)24(19)32-16)23-21(28)15-31-25(34-23)33-22-5-4-18(14-30-22)35-10-8-29-9-11-35/h4-5,12-15,29H,2-3,6-11H2,1H3,(H,30,31,33,34)
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TBA

Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464614
PNG
(CHEMBL4277525 | US11091476, Example 6)
Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)N3CCNCC3)ncc2F)C11CCCC1 |t:1|
Show InChI InChI=1S/C26H27F2N7/c1-16-26(6-2-3-7-26)19-12-17(13-20(27)24(19)32-16)23-21(28)15-31-25(34-23)33-22-5-4-18(14-30-22)35-10-8-29-9-11-35/h4-5,12-15,29H,2-3,6-11H2,1H3,(H,30,31,33,34)
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TBA

Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464632
PNG
(CHEMBL4279832 | US11091476, Example 30)
Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCN(CCO)CC3)ncc2F)C11CCCC1 |t:1|
Show InChI InChI=1S/C29H32F2N6O/c1-18-29(8-2-3-9-29)22-14-21(15-23(30)27(22)34-18)26-24(31)17-33-28(36-26)35-25-5-4-20(16-32-25)19-6-10-37(11-7-19)12-13-38/h4-5,14-17,19,38H,2-3,6-13H2,1H3,(H,32,33,35,36)
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TBA

Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464632
PNG
(CHEMBL4279832 | US11091476, Example 30)
Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCN(CCO)CC3)ncc2F)C11CCCC1 |t:1|
Show InChI InChI=1S/C29H32F2N6O/c1-18-29(8-2-3-9-29)22-14-21(15-23(30)27(22)34-18)26-24(31)17-33-28(36-26)35-25-5-4-20(16-32-25)19-6-10-37(11-7-19)12-13-38/h4-5,14-17,19,38H,2-3,6-13H2,1H3,(H,32,33,35,36)
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TBA

Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464632
PNG
(CHEMBL4279832 | US11091476, Example 30)
Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCN(CCO)CC3)ncc2F)C11CCCC1 |t:1|
Show InChI InChI=1S/C29H32F2N6O/c1-18-29(8-2-3-9-29)22-14-21(15-23(30)27(22)34-18)26-24(31)17-33-28(36-26)35-25-5-4-20(16-32-25)19-6-10-37(11-7-19)12-13-38/h4-5,14-17,19,38H,2-3,6-13H2,1H3,(H,32,33,35,36)
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Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464636
PNG
(CHEMBL4287693 | US11091476, Example 22)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C4(CCCC4)c3c2)nc1 |t:26|
Show InChI InChI=1S/C28H32FN7/c1-3-35-12-14-36(15-13-35)21-7-9-25(30-17-21)33-27-31-18-23(29)26(34-27)20-6-8-24-22(16-20)28(19(2)32-24)10-4-5-11-28/h6-9,16-18H,3-5,10-15H2,1-2H3,(H,30,31,33,34)
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Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464632
PNG
(CHEMBL4279832 | US11091476, Example 30)
Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCN(CCO)CC3)ncc2F)C11CCCC1 |t:1|
Show InChI InChI=1S/C29H32F2N6O/c1-18-29(8-2-3-9-29)22-14-21(15-23(30)27(22)34-18)26-24(31)17-33-28(36-26)35-25-5-4-20(16-32-25)19-6-10-37(11-7-19)12-13-38/h4-5,14-17,19,38H,2-3,6-13H2,1H3,(H,32,33,35,36)
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Beijing Normal University

Curated by ChEMBL


Assay Description
Inhibition of CDK6/Cyclin-D3 (unknown origin) using histoneH1 as substrate after 90 mins by ADP-Glo assay

Eur J Med Chem 144: 1-28 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.003
BindingDB Entry DOI: 10.7270/Q28C9ZX0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444543
PNG
(US10662186, Compound 63 | US10988476, Compound I-6...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Show InChI InChI=1S/C27H32F2N8/c1-16(2)37-17(3)31-26-20(28)12-19(13-23(26)37)25-21(29)14-30-27(34-25)33-24-7-6-18-15-36(11-10-35(4)5)9-8-22(18)32-24/h6-7,12-14,16H,8-11,15H2,1-5H3,(H,30,32,33,34)
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464606
PNG
(CHEMBL4277900 | US11091476, Example 17)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:25|
Show InChI InChI=1S/C28H30F2N6/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35)
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TBA

Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464606
PNG
(CHEMBL4277900 | US11091476, Example 17)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:25|
Show InChI InChI=1S/C28H30F2N6/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35)
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TBA

Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464606
PNG
(CHEMBL4277900 | US11091476, Example 17)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:25|
Show InChI InChI=1S/C28H30F2N6/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35)
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TBA

Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464606
PNG
(CHEMBL4277900 | US11091476, Example 17)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:25|
Show InChI InChI=1S/C28H30F2N6/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35)
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Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50564275
PNG
(CHEMBL4778367)
Show SMILES CC(C)c1cn2c(n1)c(C(C)=O)c(C)c1cnc(Nc3ccc(cc3)N3CCNCC3)nc21
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Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused CDK4 (1 to 303 residues)/GST-tagged CyclinD3 (1 to 292 residues) expressed in baculo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112239
BindingDB Entry DOI: 10.7270/Q27S7SHM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM513489
PNG
(5-Fluoro-4-(7′-fluoro-2′-methylspiro[c...)
Show SMILES CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1 |t:23|
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Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444567
PNG
(US10662186, Compound 86 | US10988476, Compound I-8...)
Show SMILES CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Show InChI InChI=1S/C29H34F2N8/c1-17(19-5-6-19)39-18(2)33-28-22(30)13-21(14-25(28)39)27-23(31)15-32-29(36-27)35-26-8-7-20-16-38(12-11-37(3)4)10-9-24(20)34-26/h7-8,13-15,17,19H,5-6,9-12,16H2,1-4H3,(H,32,34,35,36)
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464623
PNG
(CHEMBL4287743 | US11091476, Example 28)
Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)N3CCN(CCO)CC3)ncc2F)C11CCCC1 |t:1|
Show InChI InChI=1S/C28H31F2N7O/c1-18-28(6-2-3-7-28)21-14-19(15-22(29)26(21)33-18)25-23(30)17-32-27(35-25)34-24-5-4-20(16-31-24)37-10-8-36(9-11-37)12-13-38/h4-5,14-17,38H,2-3,6-13H2,1H3,(H,31,32,34,35)
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Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444572
PNG
(US10662186, Compound 91 | US10988476, Compound I-9...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(N)=N)CCc3n2)ncc1F
Show InChI InChI=1S/C27H32F2N10/c1-15(2)39-16(3)33-25-19(28)11-18(12-22(25)39)24-20(29)13-32-27(36-24)35-23-6-5-17-14-38(8-7-21(17)34-23)10-9-37(4)26(30)31/h5-6,11-13,15H,7-10,14H2,1-4H3,(H3,30,31)(H,32,34,35,36)
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM642775
PNG
(N-(1-(cyclopropylsulfonyl)piperidin-4-yl)-4-(diflu...)
Show SMILES CC(C)n1nnc2c(cc3cnc(NC4CCN(CC4)S(=O)(=O)C4CC4)nc3c12)C(F)F
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM642777
PNG
(1-isopropyl-N-(1-(methylsulfonyl)piperidin-4-yl)-4...)
Show SMILES CC(C)n1nnc2c(CC(F)(F)F)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12
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Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464606
PNG
(CHEMBL4277900 | US11091476, Example 17)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:25|
Show InChI InChI=1S/C28H30F2N6/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35)
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Beijing Normal University

Curated by ChEMBL


Assay Description
Inhibition of CDK6/Cyclin-D3 (unknown origin) using histoneH1 as substrate after 90 mins by ADP-Glo assay

Eur J Med Chem 144: 1-28 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.003
BindingDB Entry DOI: 10.7270/Q28C9ZX0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464630
PNG
(CHEMBL4281514 | US11091476, Example 18)
Show SMILES CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |c:5|
Show InChI InChI=1S/C26H29F2N7/c1-5-26(3)16(2)31-24-19(26)12-17(13-20(24)27)23-21(28)15-30-25(33-23)32-22-7-6-18(14-29-22)35-10-8-34(4)9-11-35/h6-7,12-15H,5,8-11H2,1-4H3,(H,29,30,32,33)
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Beijing Normal University

Curated by ChEMBL


Assay Description
Inhibition of CDK6/Cyclin-D3 (unknown origin) using histoneH1 as substrate after 90 mins by ADP-Glo assay

Eur J Med Chem 144: 1-28 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.003
BindingDB Entry DOI: 10.7270/Q28C9ZX0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444578
PNG
(US10662186, Compound 98)
Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1
Show InChI InChI=1S/C29H34F2N8/c1-18-33-28-22(30)14-20(15-25(28)39(18)21-6-4-5-7-21)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(2)3)11-10-24(19)34-26/h8-9,14-16,21H,4-7,10-13,17H2,1-3H3,(H,32,34,35,36)
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444580
PNG
(US10662186, Compound 102 | US10988476, Compound I-...)
Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1
Show InChI InChI=1S/C30H36F2N8/c1-19-34-29-23(31)15-21(16-26(29)40(19)22-7-5-4-6-8-22)28-24(32)17-33-30(37-28)36-27-10-9-20-18-39(14-13-38(2)3)12-11-25(20)35-27/h9-10,15-17,22H,4-8,11-14,18H2,1-3H3,(H,33,35,36,37)
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464630
PNG
(CHEMBL4281514 | US11091476, Example 18)
Show SMILES CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |c:5|
Show InChI InChI=1S/C26H29F2N7/c1-5-26(3)16(2)31-24-19(26)12-17(13-20(24)27)23-21(28)15-30-25(33-23)32-22-7-6-18(14-29-22)35-10-8-34(4)9-11-35/h6-7,12-15H,5,8-11H2,1-4H3,(H,29,30,32,33)
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Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50464618
PNG
(CHEMBL4294940 | US11091476, Example 25)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C4(CCCC4)c3c2)nc1 |t:25|
Show InChI InChI=1S/C27H30FN7/c1-18-27(9-3-4-10-27)21-15-19(5-7-23(21)31-18)25-22(28)17-30-26(33-25)32-24-8-6-20(16-29-24)35-13-11-34(2)12-14-35/h5-8,15-17H,3-4,9-14H2,1-2H3,(H,29,30,32,33)
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TBA

Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2H13552
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444543
PNG
(US10662186, Compound 63 | US10988476, Compound I-6...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Show InChI InChI=1S/C27H32F2N8/c1-16(2)37-17(3)31-26-20(28)12-19(13-23(26)37)25-21(29)14-30-27(34-25)33-24-7-6-18-15-36(11-10-35(4)5)9-8-22(18)32-24/h6-7,12-14,16H,8-11,15H2,1-5H3,(H,30,32,33,34)
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK6 (1 to 326 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444564
PNG
(US10662186, Compound 83 | US10988476, Compound I-8...)
Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444551
PNG
(US10662186, Compound 71 | US10988476, Compound I-7...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CC#C)CCc3n2)ncc1F
Show InChI InChI=1S/C29H32F2N8/c1-6-10-37(5)12-13-38-11-9-24-20(17-38)7-8-26(34-24)35-29-32-16-23(31)27(36-29)21-14-22(30)28-25(15-21)39(18(2)3)19(4)33-28/h1,7-8,14-16,18H,9-13,17H2,2-5H3,(H,32,34,35,36)
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444598
PNG
(US10662186, Compound 134 | US10988476, Compound I-...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CC[Si](C)(C)C)CCc3n2)ncc1F
Show InChI InChI=1S/C31H42F2N8Si/c1-20(2)41-21(3)35-30-24(32)16-23(17-27(30)41)29-25(33)18-34-31(38-29)37-28-9-8-22-19-40(11-10-26(22)36-28)13-12-39(4)14-15-42(5,6)7/h8-9,16-18,20H,10-15,19H2,1-7H3,(H,34,36,37,38)
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444567
PNG
(US10662186, Compound 86 | US10988476, Compound I-8...)
Show SMILES CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Show InChI InChI=1S/C29H34F2N8/c1-17(19-5-6-19)39-18(2)33-28-22(30)13-21(14-25(28)39)27-23(31)15-32-29(36-27)35-26-8-7-20-16-38(12-11-37(3)4)10-9-24(20)34-26/h7-8,13-15,17,19H,5-6,9-12,16H2,1-4H3,(H,32,34,35,36)
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK6 (1 to 326 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444597
PNG
(US10662186, Compound 133 | US10988476, Compound I-...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CCNC(N)=N)CCc3n2)ncc1F
Show InChI InChI=1S/C29H37F2N11/c1-17(2)42-18(3)36-27-21(30)13-20(14-24(27)42)26-22(31)15-35-29(39-26)38-25-6-5-19-16-41(9-7-23(19)37-25)12-11-40(4)10-8-34-28(32)33/h5-6,13-15,17H,7-12,16H2,1-4H3,(H4,32,33,34)(H,35,37,38,39)
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Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50110183
PNG
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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n/an/a 1.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00063
BindingDB Entry DOI: 10.7270/Q2NG4VR2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444564
PNG
(US10662186, Compound 83 | US10988476, Compound I-8...)
Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)
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n/an/a 1.60n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK6 (1 to 326 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444569
PNG
(US10662186, Compound 88 | US10988476, Compound I-8...)
Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
Show InChI InChI=1S/C28H32F2N8/c1-17-32-26-20(29)13-19(14-23(26)38(17)28(2)8-9-28)25-21(30)15-31-27(35-25)34-24-6-5-18-16-37(12-11-36(3)4)10-7-22(18)33-24/h5-6,13-15H,7-12,16H2,1-4H3,(H,31,33,34,35)
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n/an/a 1.60n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK6 (1 to 326 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444585
PNG
(US10662186, Compound 108 | US10988476, Compound I-...)
Show SMILES C[C@H]1CC[C@@H](CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F |r,wU:4.7,wD:1.0,(6.44,7.83,;6.04,6.35,;4.55,5.95,;4.15,4.46,;5.24,3.37,;6.73,3.77,;7.13,5.26,;4.84,1.88,;5.75,.64,;7.29,.64,;4.84,-.61,;3.38,-.13,;2.05,-.9,;2.05,-2.44,;.71,-.13,;.71,1.41,;2.05,2.18,;3.38,1.41,;-.62,2.18,;-1.95,1.41,;-3.29,2.18,;-4.62,1.41,;-4.62,-.13,;-3.29,-.9,;-3.29,-2.44,;-4.62,-3.21,;-4.62,-4.75,;-5.96,-5.52,;-5.96,-7.06,;-4.62,-7.83,;-3.29,-7.06,;-1.95,-7.83,;-3.29,-5.52,;-7.29,-4.75,;-7.29,-3.21,;-5.96,-2.44,;-5.96,-.9,;-3.29,3.72,;-1.95,4.49,;-.62,3.72,;.71,4.49,)|
Show InChI InChI=1S/C31H38F2N8/c1-19-5-8-23(9-6-19)41-20(2)35-30-24(32)15-22(16-27(30)41)29-25(33)17-34-31(38-29)37-28-10-7-21-18-40(14-13-39(3)4)12-11-26(21)36-28/h7,10,15-17,19,23H,5-6,8-9,11-14,18H2,1-4H3,(H,34,36,37,38)/t19-,23-
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n/an/a 1.60n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444591
PNG
(US10662186, Compound 126 | US10988476, Compound I-...)
Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1
Show InChI InChI=1S/C28H32F2N8/c1-17-32-27-21(29)12-20(13-24(27)38(17)15-18-4-5-18)26-22(30)14-31-28(35-26)34-25-7-6-19-16-37(11-10-36(2)3)9-8-23(19)33-25/h6-7,12-14,18H,4-5,8-11,15-16H2,1-3H3,(H,31,33,34,35)
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n/an/a 1.60n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM50458024
PNG
(CHEMBL4203179)
Show SMILES CCN1CCC(CC1)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
Show InChI InChI=1S/C30H36F2N8/c1-5-38-11-8-22(9-12-38)39-13-10-25-20(17-39)6-7-27(35-25)36-30-33-16-24(32)28(37-30)21-14-23(31)29-26(15-21)40(18(2)3)19(4)34-29/h6-7,14-16,18,22H,5,8-13,17H2,1-4H3,(H,33,35,36,37)
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n/an/a 1.60n/an/an/an/an/an/a



Shanghai HaiHe Pharmaceutical, Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/Cyclin-D3

Eur J Med Chem 148: 140-153 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444549
PNG
(US10662186, Compound 69 | US10988476, Compound I-6...)
Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
Show InChI InChI=1S/C28H34F2N8/c1-17-32-26-20(29)13-19(14-23(26)38(17)28(2,3)4)25-21(30)15-31-27(35-25)34-24-8-7-18-16-37(12-11-36(5)6)10-9-22(18)33-24/h7-8,13-15H,9-12,16H2,1-6H3,(H,31,33,34,35)
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n/an/a 1.60n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444584
PNG
(US10662186, Compound 107 | US10988476, Compound I-...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)P(C)(C)=O)CCc3n2)ncc1F
Show InChI InChI=1S/C28H35F2N8OP/c1-17(2)38-18(3)32-27-21(29)13-20(14-24(27)38)26-22(30)15-31-28(35-26)34-25-8-7-19-16-37(10-9-23(19)33-25)12-11-36(4)40(5,6)39/h7-8,13-15,17H,9-12,16H2,1-6H3,(H,31,33,34,35)
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n/an/a 1.60n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444598
PNG
(US10662186, Compound 134 | US10988476, Compound I-...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CC[Si](C)(C)C)CCc3n2)ncc1F
Show InChI InChI=1S/C31H42F2N8Si/c1-20(2)41-21(3)35-30-24(32)16-23(17-27(30)41)29-25(33)18-34-31(38-29)37-28-9-8-22-19-40(11-10-26(22)36-28)13-12-39(4)14-15-42(5,6)7/h8-9,16-18,20H,10-15,19H2,1-7H3,(H,34,36,37,38)
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n/an/a 1.60n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK6 (1 to 326 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM516028
PNG
(US11053238, Compound 1a | US11053238, Compound 1b)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCC5(CC5)n4c3c2)nc1
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))		BDBM444572
PNG
(US10662186, Compound 91 | US10988476, Compound I-9...)
Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(N)=N)CCc3n2)ncc1F
Show InChI InChI=1S/C27H32F2N10/c1-15(2)39-16(3)33-25-19(28)11-18(12-22(25)39)24-20(29)13-32-27(36-24)35-23-6-5-17-14-38(8-7-21(17)34-23)10-9-37(4)26(30)31/h5-6,11-13,15H,7-10,14H2,1-4H3,(H3,30,31)(H,32,34,35,36)
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n/an/a 1.70n/an/an/an/an/an/a



Shanghai Pharmaceuticals Holding Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK6 (1 to 326 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...

Eur J Med Chem 178: 352-364 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.005
BindingDB Entry DOI: 10.7270/Q20K2CTJ
More data for this
Ligand-Target Pair
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