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Compile Data Set for Download or QSAR

Found 4062 hits of ic50 for UniProtKB: P11802   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50528241
PNG
(CHEMBL334285)
Show SMILES O=C(NN1CCOCC1)Nc1cccc2-c3[nH]nc(-c4ccc(s4)C(=O)N4CCNCC4)c3C(=O)c12
Show InChI InChI=1S/C24H25N7O4S/c32-22-18-14(2-1-3-15(18)26-24(34)29-31-10-12-35-13-11-31)20-19(22)21(28-27-20)16-4-5-17(36-16)23(33)30-8-6-25-7-9-30/h1-5,25H,6-13H2,(H,27,28)(H2,26,29,34)
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n/an/a 0.00700n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)

Eur J Med Chem 178: 1-12 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.070
BindingDB Entry DOI: 10.7270/Q23N26VJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50528240
PNG
(CHEMBL151546)
Show SMILES NC(=O)Nc1cccc2-c3[nH]nc(-c4csc(Cl)c4)c3C(=O)c12
Show InChI InChI=1S/C15H9ClN4O2S/c16-9-4-6(5-23-9)12-11-13(20-19-12)7-2-1-3-8(18-15(17)22)10(7)14(11)21/h1-5H,(H,19,20)(H3,17,18,22)
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n/an/a 0.0260n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)

Eur J Med Chem 178: 1-12 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.070
BindingDB Entry DOI: 10.7270/Q23N26VJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM448940
PNG
(N-(5-(4-Ethylpiperazin-1-yl)pyridin-2-yl)-5-fluoro...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C27H30F2N8/c1-4-35-9-11-36(12-10-35)18-5-6-22(30-15-18)32-26-31-16-20(29)24(34-26)17-13-19(28)25-21(14-17)37-23(33-25)7-8-27(37,2)3/h5-6,13-16H,4,7-12H2,1-3H3,(H,30,31,32,34)
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n/an/a 0.0700n/an/an/an/an/an/a


TBA

Assay Description
Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1PTP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM448950
PNG
(N-(5-(1-Ethylpiperidine-4-yl)pyridin-2-yl)-5-fluor...)
Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C28H31F2N7/c1-4-36-11-8-17(9-12-36)18-5-6-23(31-15-18)33-27-32-16-21(30)25(35-27)19-13-20(29)26-22(14-19)37-24(34-26)7-10-28(37,2)3/h5-6,13-17H,4,7-12H2,1-3H3,(H,31,32,33,35)
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n/an/a 0.0800n/an/an/an/an/an/a


TBA

Assay Description
Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1PTP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50528239
PNG
(CHEMBL148580)
Show SMILES COc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCN(CC4)C(N)=N)c3C(=O)c12
Show InChI InChI=1S/C24H25N7O3/c1-34-15-7-5-14(6-8-15)21-20-22(29-28-21)16-3-2-4-17(19(16)23(20)33)27-18(32)13-30-9-11-31(12-10-30)24(25)26/h2-8H,9-13H2,1H3,(H3,25,26)(H,27,32)(H,28,29)
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n/an/a 0.0800n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)

Eur J Med Chem 178: 1-12 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.070
BindingDB Entry DOI: 10.7270/Q23N26VJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM50593904
PNG
(CHEMBL5198209)
Show SMILES CCc1ccccc1C1CC(=O)c2c(O)cc(O)c([C@@H]3CCN(C)C[C@@H]3O)c2O1 |r|
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n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02064
BindingDB Entry DOI: 10.7270/Q2SB49QV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM556330
PNG
(N-(5-((1-ethylpiperidin-4-yl)methoxy)pyridin-2-yl)...)
Show SMILES CCN1CCC(COc2ccc(Nc3cc(c(F)cn3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
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n/an/a 0.100n/an/an/an/an/an/a


TBA

Assay Description
Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1PTP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM556335
PNG
(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CN1CCC(COc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
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n/an/a 0.110n/an/an/an/an/an/a


TBA

Assay Description
Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1PTP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM556334
PNG
(3-(4-((6-(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-di...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(OCC3CCN(CCCO)CC3)cn2)ncc1F
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n/an/a 0.110n/an/an/an/an/an/a


TBA

Assay Description
Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1PTP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM448926
PNG
(1-(2-((5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihyd...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F
Show InChI InChI=1S/C26H25F2N7O2/c1-26(2)7-5-21-32-24-16(27)9-15(10-19(24)35(21)26)23-17(28)11-29-25(33-23)31-20-4-3-14-12-34(22(37)13-36)8-6-18(14)30-20/h3-4,9-11,36H,5-8,12-13H2,1-2H3,(H,29,30,31,33)
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n/an/a 0.120n/an/an/an/an/an/a


TBA

Assay Description
Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1PTP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM132266
PNG
(US8841312, 8)
Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3cnc(nc3)N3CCNCC3)nc12
Show InChI InChI=1S/C22H25N9/c1-2-4-16(3-1)31-19-14-24-6-5-17(19)18-13-25-21(29-20(18)31)28-15-11-26-22(27-12-15)30-9-7-23-8-10-30/h5-6,11-14,16,23H,1-4,7-10H2,(H,25,28,29)
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Similars
US Patent
n/an/a 0.130n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...

US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50455050
PNG
(CHEMBL4208172 | US10696678, Example 18 | US1135117...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C28H32F2N8/c1-4-36-9-11-37(12-10-36)17-18-5-6-23(31-15-18)33-27-32-16-21(30)25(35-27)19-13-20(29)26-22(14-19)38-24(34-26)7-8-28(38,2)3/h5-6,13-16H,4,7-12,17H2,1-3H3,(H,31,32,33,35)
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n/an/a 0.140n/an/an/an/an/an/a


TBA

Assay Description
Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1PTP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM556329
PNG
(N-(5-((1-ethylpiperidin-4-yl)methoxy)pyridin-2-yl)...)
Show SMILES CCN1CCC(COc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1
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n/an/a 0.160n/an/an/an/an/an/a


TBA

Assay Description
Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1PTP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM448950
PNG
(N-(5-(1-Ethylpiperidine-4-yl)pyridin-2-yl)-5-fluor...)
Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
Show InChI InChI=1S/C28H31F2N7/c1-4-36-11-8-17(9-12-36)18-5-6-23(31-15-18)33-27-32-16-21(30)25(35-27)19-13-20(29)26-22(14-19)37-24(34-26)7-10-28(37,2)3/h5-6,13-17H,4,7-12H2,1-3H3,(H,31,32,33,35)
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n/an/a 0.170n/an/an/an/an/an/a


TBA

Assay Description
Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1PTP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM556328
PNG
((S)—N-(5-(3-(dimethylamino)pyrrolidin-1-yl)py...)
Show SMILES CN(C)[C@H]1CCN(C1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
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n/an/a 0.180n/an/an/an/an/an/a


TBA

Assay Description
Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1PTP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50528238
PNG
(CHEMBL4453997)
Show SMILES COc1ccc(cc1)-c1n[nH]c2-c3cccc(C=O)c3C(=O)c12
Show InChI InChI=1S/C18H12N2O3/c1-23-12-7-5-10(6-8-12)16-15-17(20-19-16)13-4-2-3-11(9-21)14(13)18(15)22/h2-9H,1H3,(H,19,20)
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n/an/a 0.200n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)

Eur J Med Chem 178: 1-12 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.070
BindingDB Entry DOI: 10.7270/Q23N26VJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM525562
PNG
(US11174252, Compound 1)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...

Citation and Details

BindingDB Entry DOI: 10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253965
PNG
(US9464092, EEE | US9527857, EEE)
Show SMILES CC(C)(O)CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
Show InChI InChI=1S/C26H34N8O2/c1-25(2,36)17-32-9-11-33(12-10-32)19-5-6-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(7-3-4-8-26)34(20)22(18)31-24/h5-6,13-15,36H,3-4,7-12,16-17H2,1-2H3,(H,29,35)(H,27,28,30,31)
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n/an/a 0.200n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...

US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253965
PNG
(US9464092, EEE | US9527857, EEE)
Show SMILES CC(C)(O)CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
Show InChI InChI=1S/C26H34N8O2/c1-25(2,36)17-32-9-11-33(12-10-32)19-5-6-21(27-15-19)30-24-28-14-18-13-20-23(35)29-16-26(7-3-4-8-26)34(20)22(18)31-24/h5-6,13-15,36H,3-4,7-12,16-17H2,1-2H3,(H,29,35)(H,27,28,30,31)
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n/an/a 0.200n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...

US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM556327
PNG
((S)-(3-(dimethylamino)pyrrolidin-1-yl)(6-(5-fluoro...)
Show SMILES CN(C)[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 |r|
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1PTP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM556337
PNG
(2-(4-(6-(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dih...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(OC3CCN(CCO)CC3)cn2)ncc1F
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n/an/a 0.25n/an/an/an/an/an/a


TBA

Assay Description
Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1PTP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM556336
PNG
(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CN1CCC(CC1)OCc1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
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n/an/a 0.25n/an/an/an/an/an/a


TBA

Assay Description
Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1PTP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(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 0.260n/an/an/an/an/an/a


TBA

Assay Description
Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1PTP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 4


(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 0.260n/an/an/an/an/an/a


TBA

Assay Description
Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1PTP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM556331
PNG
(5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CN1CCC(CC1)Oc1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1
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n/an/a 0.260n/an/an/an/an/an/a


TBA

Assay Description
Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2SJ1PTP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50293153
PNG
(CHEMBL526110 | N-(3-nitrophenyl)-4-(pyrazolo[1,5-b...)
Show SMILES [O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-4-1-3-11(9-12)20-16-17-8-6-14(21-16)13-10-19-22-15(13)5-2-7-18-22/h1-10H,(H,17,20,21)
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n/an/a 0.300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay

Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 4


(Homo sapiens (Human))		BDBM132275
PNG
(US8841312, 17)
Show SMILES C1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(-c2ccccc2)c2cnccc32)cc1
Show InChI InChI=1S/C25H23N7/c1-2-4-20(5-3-1)32-23-17-27-11-10-21(23)22-16-28-25(30-24(22)32)29-18-6-8-19(9-7-18)31-14-12-26-13-15-31/h1-11,16-17,26H,12-15H2,(H,28,29,30)
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n/an/a 0.320n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...

US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM611019
PNG
(US10626107, Example A crystal form of compound WX_...)
Show SMILES CC(C)n1c(C)nc2ccc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
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n/an/a 0.350n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZP4B70
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253910
PNG
(US9464092, B | US9527857, B)
Show SMILES C[C@H]1CN(CCN1CC1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C28H36N8O/c1-19-16-35(12-11-34(19)17-20-5-6-20)22-7-8-24(29-15-22)32-27-30-14-21-13-23-26(37)31-18-28(9-3-2-4-10-28)36(23)25(21)33-27/h7-8,13-15,19-20H,2-6,9-12,16-18H2,1H3,(H,31,37)(H,29,30,32,33)/t19-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253910
PNG
(US9464092, B | US9527857, B)
Show SMILES C[C@H]1CN(CCN1CC1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C28H36N8O/c1-19-16-35(12-11-34(19)17-20-5-6-20)22-7-8-24(29-15-22)32-27-30-14-21-13-23-26(37)31-18-28(9-3-2-4-10-28)36(23)25(21)33-27/h7-8,13-15,19-20H,2-6,9-12,16-18H2,1H3,(H,31,37)(H,29,30,32,33)/t19-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...

US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253910
PNG
(US9464092, B | US9527857, B)
Show SMILES C[C@H]1CN(CCN1CC1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C28H36N8O/c1-19-16-35(12-11-34(19)17-20-5-6-20)22-7-8-24(29-15-22)32-27-30-14-21-13-23-26(37)31-18-28(9-3-2-4-10-28)36(23)25(21)33-27/h7-8,13-15,19-20H,2-6,9-12,16-18H2,1H3,(H,31,37)(H,29,30,32,33)/t19-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...

US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM132261
PNG
(US8841312, 3)
Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
Show InChI InChI=1S/C24H27N7/c1-2-4-19(3-1)31-22-16-26-10-9-20(22)21-15-27-24(29-23(21)31)28-17-5-7-18(8-6-17)30-13-11-25-12-14-30/h5-10,15-16,19,25H,1-4,11-14H2,(H,27,28,29)
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n/an/a 0.450n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...

US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM621179
PNG
(US20230303564, Compound 21)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N[C@H]3CCCC3(F)F)c2n1)C(F)F |r|
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n/an/a 0.460n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))		BDBM525763
PNG
(US11174252, Compound 450)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(CC2)C(=O)CN(C)C)ncc1F
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...

Citation and Details

BindingDB Entry DOI: 10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM525771
PNG
(US11174252, Compound 458)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C(=O)N3CCC(O)CC3)c(F)c2)ncc1F
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...

Citation and Details

BindingDB Entry DOI: 10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM525786
PNG
(US11174252, Compound 474)
Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C(C)=O)ncc1F
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...

Citation and Details

BindingDB Entry DOI: 10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM621180
PNG
(US20230303564, Compound 22)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N[C@@H]3CCCC3(F)F)c2n1)C(F)F |r|
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n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253935
PNG
(US9464092, AA | US9527857, AA)
Show SMILES CC(C)N1CCN(C[C@@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C27H36N8O/c1-18(2)34-12-11-33(16-19(34)3)21-7-8-23(28-15-21)31-26-29-14-20-13-22-25(36)30-17-27(9-5-4-6-10-27)35(22)24(20)32-26/h7-8,13-15,18-19H,4-6,9-12,16-17H2,1-3H3,(H,30,36)(H,28,29,31,32)/t19-/m0/s1
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...

US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253935
PNG
(US9464092, AA | US9527857, AA)
Show SMILES CC(C)N1CCN(C[C@@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C27H36N8O/c1-18(2)34-12-11-33(16-19(34)3)21-7-8-23(28-15-21)31-26-29-14-20-13-22-25(36)30-17-27(9-5-4-6-10-27)35(22)24(20)32-26/h7-8,13-15,18-19H,4-6,9-12,16-17H2,1-3H3,(H,30,36)(H,28,29,31,32)/t19-/m0/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253926
PNG
(US9464092, R | US9527857, R)
Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C25H32N8O/c1-17-15-32(11-10-31(17)2)19-6-7-21(26-14-19)29-24-27-13-18-12-20-23(34)28-16-25(8-4-3-5-9-25)33(20)22(18)30-24/h6-7,12-14,17H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,29,30)/t17-/m0/s1
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...

US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253935
PNG
(US9464092, AA | US9527857, AA)
Show SMILES CC(C)N1CCN(C[C@@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C27H36N8O/c1-18(2)34-12-11-33(16-19(34)3)21-7-8-23(28-15-21)31-26-29-14-20-13-22-25(36)30-17-27(9-5-4-6-10-27)35(22)24(20)32-26/h7-8,13-15,18-19H,4-6,9-12,16-17H2,1-3H3,(H,30,36)(H,28,29,31,32)/t19-/m0/s1
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...

US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253926
PNG
(US9464092, R | US9527857, R)
Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C25H32N8O/c1-17-15-32(11-10-31(17)2)19-6-7-21(26-14-19)29-24-27-13-18-12-20-23(34)28-16-25(8-4-3-5-9-25)33(20)22(18)30-24/h6-7,12-14,17H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,29,30)/t17-/m0/s1
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...

US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253926
PNG
(US9464092, R | US9527857, R)
Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
Show InChI InChI=1S/C25H32N8O/c1-17-15-32(11-10-31(17)2)19-6-7-21(26-14-19)29-24-27-13-18-12-20-23(34)28-16-25(8-4-3-5-9-25)33(20)22(18)30-24/h6-7,12-14,17H,3-5,8-11,15-16H2,1-2H3,(H,28,34)(H,26,27,29,30)/t17-/m0/s1
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM50593907
PNG
(CHEMBL5178590)
Show SMILES CN1CC[C@H]([C@@H](O)C1)c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(Cl)cc1 |r|
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n/an/a 0.550n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02064
BindingDB Entry DOI: 10.7270/Q2SB49QV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253925
PNG
(US10189849, Compound 28 | US10927120, Compound 28 ...)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21
Show InChI InChI=1S/C23H28N8O/c32-21-18-12-16-13-26-22(28-19-5-4-17(14-25-19)30-10-8-24-9-11-30)29-20(16)31(18)23(15-27-21)6-2-1-3-7-23/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29)
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G1 Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif....

US Patent US9464092 (2016)


BindingDB Entry DOI: 10.7270/Q28C9V5W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253925
PNG
(US10189849, Compound 28 | US10927120, Compound 28 ...)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21
Show InChI InChI=1S/C23H28N8O/c32-21-18-12-16-13-26-22(28-19-5-4-17(14-25-19)30-10-8-24-9-11-30)29-20(16)31(18)23(15-27-21)6-2-1-3-7-23/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29)
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GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...

US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72V8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50455061
PNG
(CHEMBL4211828 | US10696678, Example 65)
Show SMILES CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1
Show InChI InChI=1S/C28H32F2N8/c1-17(2)37-10-8-36(9-11-37)16-19-5-6-24(31-14-19)33-28-32-15-22(30)26(35-28)20-12-21(29)27-23(13-20)38-18(3)4-7-25(38)34-27/h5-6,12-15,17-18H,4,7-11,16H2,1-3H3,(H,31,32,33,35)
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n/an/a 0.600n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay

Bioorg Med Chem Lett 28: 974-978 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.068
BindingDB Entry DOI: 10.7270/Q2BC4236
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM448932
PNG
(5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...)
Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F
Show InChI InChI=1S/C26H28F2N8/c1-26(2)6-5-22-33-24-18(27)11-17(12-20(24)36(22)26)23-19(28)14-31-25(34-23)32-21-4-3-16(13-30-21)15-35-9-7-29-8-10-35/h3-4,11-14,29H,5-10,15H2,1-2H3,(H,30,31,32,34)
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Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay

Bioorg Med Chem Lett 28: 974-978 (2018)


Article DOI: 10.1016/j.bmcl.2017.12.068
BindingDB Entry DOI: 10.7270/Q2BC4236
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM253925
PNG
(US10189849, Compound 28 | US10927120, Compound 28 ...)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21
Show InChI InChI=1S/C23H28N8O/c32-21-18-12-16-13-26-22(28-19-5-4-17(14-25-19)30-10-8-24-9-11-30)29-20(16)31(18)23(15-27-21)6-2-1-3-7-23/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29)
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n/an/a 0.600n/an/an/an/an/an/a



GI Therapeutics, Inc.

US Patent


Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...

US Patent US9527857 (2016)


BindingDB Entry DOI: 10.7270/Q2MK6B2C
More data for this
Ligand-Target Pair
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