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Compile Data Set for Download or QSAR

Found 160 hits Enz. Inhib. hit(s) with Target = 'CDK6/G1/S-specific cyclin D3'   
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
CDK6/G1/S-specific cyclin D3


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



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501587
PNG
(CHEMBL4066828)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C(F)(F)F)nc1
Show InChI InChI=1S/C23H27F3N8S/c1-33-10-12-34(13-11-33)16-6-7-18(28-14-16)31-21-27-9-8-17(30-21)19-20(23(24,25)26)32-22(35-19)29-15-4-2-3-5-15/h6-9,14-15H,2-5,10-13H2,1H3,(H,29,32)(H,27,28,30,31)
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3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501581
PNG
(CHEMBL4072255)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
Show InChI InChI=1S/C23H29FN8S/c1-15-21(33-23(27-15)28-16-5-3-4-6-16)20-18(24)14-26-22(30-20)29-19-8-7-17(13-25-19)32-11-9-31(2)10-12-32/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H,27,28)(H,25,26,29,30)
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3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501586
PNG
(CHEMBL4079469)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C(F)(F)F)nc1
Show InChI InChI=1S/C24H27F3N8OS/c1-15(36)34-10-12-35(13-11-34)17-6-7-19(29-14-17)32-22-28-9-8-18(31-22)20-21(24(25,26)27)33-23(37-20)30-16-4-2-3-5-16/h6-9,14,16H,2-5,10-13H2,1H3,(H,30,33)(H,28,29,31,32)
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6n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501582
PNG
(CHEMBL4098475)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
Show InChI InChI=1S/C24H31FN8S/c1-3-32-10-12-33(13-11-32)18-8-9-20(26-14-18)30-23-27-15-19(25)21(31-23)22-16(2)28-24(34-22)29-17-6-4-5-7-17/h8-9,14-15,17H,3-7,10-13H2,1-2H3,(H,28,29)(H,26,27,30,31)
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6n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501579
PNG
(CHEMBL4089056)
Show SMILES Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C22H27FN8S/c1-14-20(32-22(27-14)28-15-4-2-3-5-15)19-17(23)13-26-21(30-19)29-18-7-6-16(12-25-18)31-10-8-24-9-11-31/h6-7,12-13,15,24H,2-5,8-11H2,1H3,(H,27,28)(H,25,26,29,30)
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7n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501599
PNG
(CHEMBL4072388)
Show SMILES FC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)C=O)n1
Show InChI InChI=1S/C23H25F3N8OS/c24-23(25,26)20-19(36-22(32-20)29-15-3-1-2-4-15)17-7-8-27-21(30-17)31-18-6-5-16(13-28-18)34-11-9-33(14-35)10-12-34/h5-8,13-15H,1-4,9-12H2,(H,29,32)(H,27,28,30,31)
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7n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501578
PNG
(CHEMBL4098811)
Show SMILES Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCCNCC2)n1
Show InChI InChI=1S/C23H30N8S/c1-16-21(32-23(27-16)28-17-5-2-3-6-17)19-9-11-25-22(29-19)30-20-8-7-18(15-26-20)31-13-4-10-24-12-14-31/h7-9,11,15,17,24H,2-6,10,12-14H2,1H3,(H,27,28)(H,25,26,29,30)
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8n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50110183
PNG
(ABEMACICLIB | Abemaciclib | LY-2835219)
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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Similars

PDB
Article
PubMed
8.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive inhibition of CDK6/cyclin D3 (unknown origin) assessed as phosphorylation of CTRF after 50 mins by Michaelis-Menten plot analysis in pres...


Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501598
PNG
(CHEMBL4103372)
Show SMILES CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3sc(NC4CCCC4)nc3C)nc2)CC1
Show InChI InChI=1S/C25H34N8S/c1-3-32-12-14-33(15-13-32)17-19-8-9-22(27-16-19)31-24-26-11-10-21(30-24)23-18(2)28-25(34-23)29-20-6-4-5-7-20/h8-11,16,20H,3-7,12-15,17H2,1-2H3,(H,28,29)(H,26,27,30,31)
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9n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501612
PNG
(CHEMBL4091780)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C)nc1
Show InChI InChI=1S/C23H30N8S/c1-16-21(32-23(26-16)27-17-5-3-4-6-17)19-9-10-24-22(28-19)29-20-8-7-18(15-25-20)31-13-11-30(2)12-14-31/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,26,27)(H,24,25,28,29)
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9n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501580
PNG
(CHEMBL4067844)
Show SMILES Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCCNCC2)ncc1F
Show InChI InChI=1S/C23H29FN8S/c1-15-21(33-23(28-15)29-16-5-2-3-6-16)20-18(24)14-27-22(31-20)30-19-8-7-17(13-26-19)32-11-4-9-25-10-12-32/h7-8,13-14,16,25H,2-6,9-12H2,1H3,(H,28,29)(H,26,27,30,31)
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10n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501605
PNG
(CHEMBL4102935)
Show SMILES CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C23H30N8S/c1-16-21(32-23(27-16)30(2)17-5-3-4-6-17)19-9-10-25-22(28-19)29-20-8-7-18(15-26-20)31-13-11-24-12-14-31/h7-10,15,17,24H,3-6,11-14H2,1-2H3,(H,25,26,28,29)
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10n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501604
PNG
(CHEMBL4084985)
Show SMILES CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C24H32N8S/c1-17-22(33-24(27-17)31(3)18-6-4-5-7-18)20-10-11-25-23(28-20)29-21-9-8-19(16-26-21)32-14-12-30(2)13-15-32/h8-11,16,18H,4-7,12-15H2,1-3H3,(H,25,26,28,29)
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10n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501611
PNG
(CHEMBL4070914)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C)nc1
Show InChI InChI=1S/C24H32N8S/c1-3-31-12-14-32(15-13-31)19-8-9-21(26-16-19)30-23-25-11-10-20(29-23)22-17(2)27-24(33-22)28-18-6-4-5-7-18/h8-11,16,18H,3-7,12-15H2,1-2H3,(H,27,28)(H,25,26,29,30)
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11n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501585
PNG
(CHEMBL4104477)
Show SMILES FC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCOCC2)n1
Show InChI InChI=1S/C22H24F3N7OS/c23-22(24,25)19-18(34-21(31-19)28-14-3-1-2-4-14)16-7-8-26-20(29-16)30-17-6-5-15(13-27-17)32-9-11-33-12-10-32/h5-8,13-14H,1-4,9-12H2,(H,28,31)(H,26,27,29,30)
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11n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501593
PNG
(CHEMBL4095884)
Show SMILES CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C20H26N8S/c1-13(2)24-20-25-14(3)18(29-20)16-6-7-22-19(26-16)27-17-5-4-15(12-23-17)28-10-8-21-9-11-28/h4-7,12-13,21H,8-11H2,1-3H3,(H,24,25)(H,22,23,26,27)
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11n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501597
PNG
(CHEMBL4067549)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3sc(NC4CCCC4)nc3C)nc2)CC1
Show InChI InChI=1S/C25H33FN8S/c1-3-33-10-12-34(13-11-33)16-18-8-9-21(27-14-18)31-24-28-15-20(26)22(32-24)23-17(2)29-25(35-23)30-19-6-4-5-7-19/h8-9,14-15,19H,3-7,10-13,16H2,1-2H3,(H,29,30)(H,27,28,31,32)
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14n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501591
PNG
(CHEMBL4088160)
Show SMILES CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C21H28N8S/c1-14(2)24-21-25-15(3)19(30-21)17-7-8-22-20(26-17)27-18-6-5-16(13-23-18)29-11-9-28(4)10-12-29/h5-8,13-14H,9-12H2,1-4H3,(H,24,25)(H,22,23,26,27)
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15n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501584
PNG
(CHEMBL4102865)
Show SMILES Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F
Show InChI InChI=1S/C22H26FN7OS/c1-14-20(32-22(26-14)27-15-4-2-3-5-15)19-17(23)13-25-21(29-19)28-18-7-6-16(12-24-18)30-8-10-31-11-9-30/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,26,27)(H,24,25,28,29)
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20n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501583
PNG
(CHEMBL4087343)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
Show InChI InChI=1S/C24H29FN8OS/c1-15-22(35-24(28-15)29-17-5-3-4-6-17)21-19(25)14-27-23(31-21)30-20-8-7-18(13-26-20)33-11-9-32(10-12-33)16(2)34/h7-8,13-14,17H,3-6,9-12H2,1-2H3,(H,28,29)(H,26,27,30,31)
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23n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM6309
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
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27n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501592
PNG
(CHEMBL4066878)
Show SMILES CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCCNCC2)n1
Show InChI InChI=1S/C21H28N8S/c1-14(2)25-21-26-15(3)19(30-21)17-7-9-23-20(27-17)28-18-6-5-16(13-24-18)29-11-4-8-22-10-12-29/h5-7,9,13-14,22H,4,8,10-12H2,1-3H3,(H,25,26)(H,23,24,27,28)
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28n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501609
PNG
(CHEMBL4081497)
Show SMILES Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCOCC2)n1
Show InChI InChI=1S/C22H27N7OS/c1-15-20(31-22(25-15)26-16-4-2-3-5-16)18-8-9-23-21(27-18)28-19-7-6-17(14-24-19)29-10-12-30-13-11-29/h6-9,14,16H,2-5,10-13H2,1H3,(H,25,26)(H,23,24,27,28)
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30n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501595
PNG
(CHEMBL4081896)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
Show InChI InChI=1S/C25H33FN8S/c1-16-23(35-25(29-16)30-17-6-4-5-7-17)22-20(26)15-28-24(32-22)31-21-9-8-19(14-27-21)34-12-10-18(11-13-34)33(2)3/h8-9,14-15,17-18H,4-7,10-13H2,1-3H3,(H,29,30)(H,27,28,31,32)
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31n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501603
PNG
(CHEMBL4093456)
Show SMILES CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)C(C)=O)n1
Show InChI InChI=1S/C25H32N8OS/c1-17-23(35-25(28-17)31(3)19-6-4-5-7-19)21-10-11-26-24(29-21)30-22-9-8-20(16-27-22)33-14-12-32(13-15-33)18(2)34/h8-11,16,19H,4-7,12-15H2,1-3H3,(H,26,27,29,30)
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31n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501577
PNG
(CHEMBL4071812)
Show SMILES Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C22H28N8S/c1-15-20(31-22(26-15)27-16-4-2-3-5-16)18-8-9-24-21(28-18)29-19-7-6-17(14-25-19)30-12-10-23-11-13-30/h6-9,14,16,23H,2-5,10-13H2,1H3,(H,26,27)(H,24,25,28,29)
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34n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501606
PNG
(CHEMBL4069886)
Show SMILES Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)S(C)(=O)=O)n1
Show InChI InChI=1S/C23H30N8O2S2/c1-16-21(34-23(26-16)27-17-5-3-4-6-17)19-9-10-24-22(28-19)29-20-8-7-18(15-25-20)30-11-13-31(14-12-30)35(2,32)33/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,26,27)(H,24,25,28,29)
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55n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501601
PNG
(CHEMBL4085708)
Show SMILES Cc1nc(Nc2ccccc2)sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C23H24N8S/c1-16-21(32-23(27-16)28-17-5-3-2-4-6-17)19-9-10-25-22(29-19)30-20-8-7-18(15-26-20)31-13-11-24-12-14-31/h2-10,15,24H,11-14H2,1H3,(H,27,28)(H,25,26,29,30)
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66n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501589
PNG
(CHEMBL4100252)
Show SMILES CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCOCC2)n1
Show InChI InChI=1S/C20H25N7OS/c1-13(2)23-20-24-14(3)18(29-20)16-6-7-21-19(25-16)26-17-5-4-15(12-22-17)27-8-10-28-11-9-27/h4-7,12-13H,8-11H2,1-3H3,(H,23,24)(H,21,22,25,26)
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82n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501610
PNG
(CHEMBL4099517)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C)nc1
Show InChI InChI=1S/C24H30N8OS/c1-16-22(34-24(27-16)28-18-5-3-4-6-18)20-9-10-25-23(29-20)30-21-8-7-19(15-26-21)32-13-11-31(12-14-32)17(2)33/h7-10,15,18H,3-6,11-14H2,1-2H3,(H,27,28)(H,25,26,29,30)
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93n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501594
PNG
(CHEMBL4077857)
Show SMILES CN(c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1)c1ccccc1
Show InChI InChI=1S/C25H28N8S/c1-18-23(34-25(28-18)32(3)19-7-5-4-6-8-19)21-11-12-26-24(29-21)30-22-10-9-20(17-27-22)33-15-13-31(2)14-16-33/h4-12,17H,13-16H2,1-3H3,(H,26,27,29,30)
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100n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501596
PNG
(CHEMBL4062527)
Show SMILES Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCN(CC2)S(C)(=O)=O)ncc1F
Show InChI InChI=1S/C23H29FN8O2S2/c1-15-21(35-23(27-15)28-16-5-3-4-6-16)20-18(24)14-26-22(30-20)29-19-8-7-17(13-25-19)31-9-11-32(12-10-31)36(2,33)34/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H,27,28)(H,25,26,29,30)
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101n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501590
PNG
(CHEMBL4082236)
Show SMILES CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)C(C)=O)n1
Show InChI InChI=1S/C22H28N8OS/c1-14(2)25-22-26-15(3)20(32-22)18-7-8-23-21(27-18)28-19-6-5-17(13-24-19)30-11-9-29(10-12-30)16(4)31/h5-8,13-14H,9-12H2,1-4H3,(H,25,26)(H,23,24,27,28)
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105n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501608
PNG
(CHEMBL4061223)
Show SMILES Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCC(N)CC2)n1
Show InChI InChI=1S/C23H30N8S/c1-15-21(32-23(27-15)28-17-4-2-3-5-17)19-8-11-25-22(29-19)30-20-7-6-18(14-26-20)31-12-9-16(24)10-13-31/h6-8,11,14,16-17H,2-5,9-10,12-13,24H2,1H3,(H,27,28)(H,25,26,29,30)
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133n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501607
PNG
(CHEMBL4089373)
Show SMILES Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCCCC2)n1
Show InChI InChI=1S/C23H29N7S/c1-16-21(31-23(26-16)27-17-7-3-4-8-17)19-11-12-24-22(28-19)29-20-10-9-18(15-25-20)30-13-5-2-6-14-30/h9-12,15,17H,2-8,13-14H2,1H3,(H,26,27)(H,24,25,28,29)
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257n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501600
PNG
(CHEMBL4103642)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(Nc3ccccc3)nc2C)nc1
Show InChI InChI=1S/C24H26N8S/c1-17-22(33-24(27-17)28-18-6-4-3-5-7-18)20-10-11-25-23(29-20)30-21-9-8-19(16-26-21)32-14-12-31(2)13-15-32/h3-11,16H,12-15H2,1-2H3,(H,27,28)(H,25,26,29,30)
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485n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50501602
PNG
(CHEMBL4065844)
Show SMILES Cc1nc(sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1)N(C1CCCC1)C1CCCC1
Show InChI InChI=1S/C27H36N8S/c1-19-25(36-27(31-19)35(20-6-2-3-7-20)21-8-4-5-9-21)23-12-13-29-26(32-23)33-24-11-10-22(18-30-24)34-16-14-28-15-17-34/h10-13,18,20-21,28H,2-9,14-17H2,1H3,(H,29,30,32,33)
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539n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


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


J Med Chem 60: 1892-1915 (2017)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50464633
PNG
(CHEMBL4285830)
Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCNCC3)ncc2F)C11CCCC1
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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n/an/a 0.400n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50464632
PNG
(CHEMBL4279832)
Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCN(CCO)CC3)ncc2F)C11CCCC1
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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n/an/a 0.5n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50464630
PNG
(CHEMBL4281514)
Show SMILES CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F
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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n/an/a 1n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50464606
PNG
(CHEMBL4277900)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1
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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n/an/a 1n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK6/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)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50193093
PNG
(RGB-286638)
Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38)
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CDK6/cyclin D3 (unknown origin)


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50464615
PNG
(CHEMBL4289350)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1
Show InChI InChI=1S/C29H33F2N7/c1-3-37-10-12-38(13-11-37)18-20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-19(2)29(22)8-4-5-9-29/h6-7,14-17H,3-5,8-13,18H2,1-2H3,(H,32,33,35,36)
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n/an/a 2n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50464622
PNG
(CHEMBL4280423)
Show SMILES CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C25H27F2N7/c1-4-25(3)15(2)31-23-18(25)11-16(12-19(23)26)22-20(27)14-30-24(33-22)32-21-6-5-17(13-29-21)34-9-7-28-8-10-34/h5-6,11-14,28H,4,7-10H2,1-3H3,(H,29,30,32,33)
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n/an/a 3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50464631
PNG
(CHEMBL4288327)
Show SMILES CCC1(CC)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Show InChI InChI=1S/C26H29F2N7/c1-4-26(5-2)16(3)32-24-19(26)12-17(13-20(24)27)23-21(28)15-31-25(34-23)33-22-7-6-18(14-30-22)35-10-8-29-9-11-35/h6-7,12-15,29H,4-5,8-11H2,1-3H3,(H,30,31,33,34)
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n/an/a 3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50464612
PNG
(CHEMBL4279791)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C4(CCCC4)c3c2)nc1
Show InChI InChI=1S/C28H31FN6/c1-18-28(11-3-4-12-28)22-15-20(5-7-24(22)32-18)26-23(29)17-31-27(34-26)33-25-8-6-21(16-30-25)19-9-13-35(2)14-10-19/h5-8,15-17,19H,3-4,9-14H2,1-2H3,(H,30,31,33,34)
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n/an/a 4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50464620
PNG
(CHEMBL4284941)
Show SMILES CC1=Nc2ccc(cc2C11CCCC1)-c1nc(Nc2ccc(cn2)C2CCNCC2)ncc1F
Show InChI InChI=1S/C27H29FN6/c1-17-27(10-2-3-11-27)21-14-19(4-6-23(21)32-17)25-22(28)16-31-26(34-25)33-24-7-5-20(15-30-24)18-8-12-29-13-9-18/h4-7,14-16,18,29H,2-3,8-13H2,1H3,(H,30,31,33,34)
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n/an/a 4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM50464607
PNG
(CHEMBL4293340)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C(C)(CC)c3c2)nc1
Show InChI InChI=1S/C27H32FN7/c1-5-27(4)18(3)31-23-9-7-19(15-21(23)27)25-22(28)17-30-26(33-25)32-24-10-8-20(16-29-24)35-13-11-34(6-2)12-14-35/h7-10,15-17H,5-6,11-14H2,1-4H3,(H,29,30,32,33)
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n/an/a 4n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
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