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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 6/G1/S-specific cyclin D1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(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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10n/an/an/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human N-terminal GST-tagged CDK6 (1 to 326 residues)/cyclin D1 (4 to 295 residues) expressed in sf9 cells using...


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
3D
3D Structure (crystal)
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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7.73E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK6/Cyclin D1


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50454182
PNG
(CHEMBL4210771)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NC3CCCCC3N)nc12
Show InChI InChI=1S/C21H29N7/c1-13(2)17-18-19(28-27-17)20(23-12-14-8-4-3-5-9-14)26-21(25-18)24-16-11-7-6-10-15(16)22/h3-5,8-9,13,15-16H,6-7,10-12,22H2,1-2H3,(H,27,28)(H2,23,24,25,26)
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n/an/a>1n/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK6 (M1 to A326 residues)/CyclinD1 (Q4 to I295 residues) expressed in Sf9 insect c...


Bioorg Med Chem 26: 309-339 (2018)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50270304
PNG
(CHEMBL4077071)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4[nH]ccc34)cc2)CC1
Show InChI InChI=1S/C22H25N9O/c1-30-8-10-31(11-9-30)13-15-2-4-16(5-3-15)27-22(32)19-18(12-26-29-19)28-21-17-6-7-23-20(17)24-14-25-21/h2-7,12,14H,8-11,13H2,1H3,(H,26,29)(H,27,32)(H2,23,24,25,28)
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n/an/a 2n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/Cyclin D1 using RB protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...


J Med Chem 61: 1499-1518 (2018)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK6/Cyclin D1 (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measure...


J Med Chem 56: 3768-82 (2013)


Article DOI: 10.1021/jm301234k
BindingDB Entry DOI: 10.7270/Q25T3MV7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(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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n/an/a 3.80n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of CDK6/cyclinD1 (unknown origin)


J Med Chem 57: 578-99 (2014)


Article DOI: 10.1021/jm401073p
BindingDB Entry DOI: 10.7270/Q28W3FSW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50270306
PNG
(CHEMBL4077074)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)c1n[nH]cc1Nc1ncnc2sccc12
Show InChI InChI=1S/C21H21N7O2S/c29-20(25-15-3-1-14(2-4-15)12-28-6-8-30-9-7-28)18-17(11-24-27-18)26-19-16-5-10-31-21(16)23-13-22-19/h1-5,10-11,13H,6-9,12H2,(H,24,27)(H,25,29)(H,22,23,26)
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n/an/a 3.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/Cyclin D1 using RB protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...


J Med Chem 61: 1499-1518 (2018)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50270303
PNG
(CHEMBL4061686)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4ccsc34)cc2)CC1
Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-22(31)19-18(12-25-28-19)27-21-20-17(6-11-32-20)23-14-24-21/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)
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n/an/a 4.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/Cyclin D1 using RB protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...


J Med Chem 61: 1499-1518 (2018)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50270298
PNG
(CHEMBL4075720)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1
Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)
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n/an/a 4.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/Cyclin D1 using RB protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...


J Med Chem 61: 1499-1518 (2018)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50270305
PNG
(CHEMBL4103338)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4occc34)cc2)CC1
Show InChI InChI=1S/C22H24N8O2/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)
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n/an/a 5.10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/Cyclin D1 using RB protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...


J Med Chem 61: 1499-1518 (2018)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50433369
PNG
(CHEMBL2377825)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C16H13N5O5S2/c17-15-14(13(22)11-3-1-2-4-12(11)21(23)24)27-16(20-15)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26)
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n/an/a 6.60n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK6/Cyclin D1 (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measure...


J Med Chem 56: 3768-82 (2013)


Article DOI: 10.1021/jm301234k
BindingDB Entry DOI: 10.7270/Q25T3MV7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50454184
PNG
(CHEMBL4205015)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NC3CCC(N)CC3)nc12
Show InChI InChI=1S/C21H29N7/c1-13(2)17-18-19(28-27-17)20(23-12-14-6-4-3-5-7-14)26-21(25-18)24-16-10-8-15(22)9-11-16/h3-7,13,15-16H,8-12,22H2,1-2H3,(H,27,28)(H2,23,24,25,26)
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n/an/a 9.10n/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK6 (M1 to A326 residues)/CyclinD1 (Q4 to I295 residues) expressed in Sf9 insect c...


Bioorg Med Chem 26: 309-339 (2018)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50447512
PNG
(CHEMBL3115681)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28)
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n/an/a 9.80n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of CDK6/cyclinD1 (unknown origin)


J Med Chem 57: 578-99 (2014)


Article DOI: 10.1021/jm401073p
BindingDB Entry DOI: 10.7270/Q28W3FSW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50270298
PNG
(CHEMBL4075720)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1
Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)
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n/an/a<10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/Cyclin-D1 at 0.123 uM by Hotspot assay


Eur J Med Chem 155: 303-315 (2018)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(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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n/an/a 10n/an/an/an/an/an/a



Beijing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged CDK4 (M1 to A326 residues)/Cyclin D1 (Q4 to I295 residues) expressed in sf9 cells using Rb prot...


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

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50263013
PNG
(CHEMBL4079206)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O
Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of CDK5/cyclin p35 (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay


J Med Chem 61: 1664-1687 (2018)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/cyclin D1 using RB-CTF as substrate


Bioorg Med Chem 24: 521-44 (2016)


Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50321455
PNG
(2,5-dichloro-N-p-tolyl-N-(trichloromethylthio)thio...)
Show SMILES Cc1ccc(cc1)N(SC(Cl)(Cl)Cl)S(=O)(=O)c1cc(Cl)sc1Cl
Show InChI InChI=1S/C12H8Cl5NO2S3/c1-7-2-4-8(5-3-7)18(22-12(15,16)17)23(19,20)9-6-10(13)21-11(9)14/h2-6H,1H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/Cyclin D1


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 2.35E+4n/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of CDK6/cyclinD1 assessed as amount of ATP released by luciferase activity based PKLight assay


J Med Chem 53: 8508-22 (2010)


Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50321461
PNG
(2-bromo-N-(2,5-dichlorothiophen-3-ylsulfonyl)-N-ph...)
Show SMILES Clc1cc(c(Cl)s1)S(=O)(=O)N(C(=O)CBr)c1ccccc1
Show InChI InChI=1S/C12H8BrCl2NO3S2/c13-7-11(17)16(8-4-2-1-3-5-8)21(18,19)9-6-10(14)20-12(9)15/h1-6H,7H2
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n/an/a 3.49E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/Cyclin D1


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50347388
PNG
(CHEMBL1234833)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12
Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1
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n/an/a 3.55E+4n/an/an/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of CDK6/cyclinD1 assessed as amount of ATP released by luciferase activity based PKLight assay


J Med Chem 53: 8508-22 (2010)


Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50321451
PNG
(2,5-dichloro-N-p-tolylthiophene-3-sulfonamide | CH...)
Show SMILES Cc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
Show InChI InChI=1S/C11H9Cl2NO2S2/c1-7-2-4-8(5-3-7)14-18(15,16)9-6-10(12)17-11(9)13/h2-6,14H,1H3
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n/an/a 5.13E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/Cyclin D1


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50321447
PNG
(2,4,5-trichloro-N-(3-(trifluoromethyl)phenyl)benze...)
Show SMILES FC(F)(F)c1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1
Show InChI InChI=1S/C13H7Cl3F3NO2S/c14-9-5-11(16)12(6-10(9)15)23(21,22)20-8-3-1-2-7(4-8)13(17,18)19/h1-6,20H
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n/an/a 5.88E+4n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/Cyclin D1


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50321441
PNG
(5-chloro-N-(3,4-dichlorophenyl)-2-methylbenzenesul...)
Show SMILES Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H10Cl3NO2S/c1-8-2-3-9(14)6-13(8)20(18,19)17-10-4-5-11(15)12(16)7-10/h2-7,17H,1H3
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n/an/a 1.10E+5n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/Cyclin D1


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50331612
PNG
(CHEMBL1290072 | N-(4-methoxybenzyl)benzofuro[2,3-b...)
Show SMILES COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Show InChI InChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21)
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n/an/a 1.29E+5n/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/Cyclin D1


Bioorg Med Chem Lett 20: 6915-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50321446
PNG
(4-methyl-N-(3-(trifluoromethyl)phenyl)benzenesulfo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO2S/c1-10-5-7-13(8-6-10)21(19,20)18-12-4-2-3-11(9-12)14(15,16)17/h2-9,18H,1H3
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n/an/a 2.09E+5n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/Cyclin D1


Bioorg Med Chem Lett 20: 3863-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.039
BindingDB Entry DOI: 10.7270/Q2F47Q3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50423730
PNG
(CHEMBL594356 | NCI-29992)
Show SMILES COc1cc(NCCCN(CCC(C)C)CCC(C)C)c2ncccc2c1
Show InChI InChI=1S/C23H37N3O/c1-18(2)9-14-26(15-10-19(3)4)13-7-12-24-22-17-21(27-5)16-20-8-6-11-25-23(20)22/h6,8,11,16-19,24H,7,9-10,12-15H2,1-5H3
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n/an/a 3.25E+5n/an/an/an/an/an/a



Veterans Affairs Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CDK6/Cyclin D1 by FRET assay


Bioorg Med Chem Lett 20: 403-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.046
BindingDB Entry DOI: 10.7270/Q2GH9K7Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50423729
PNG
(CHEMBL611633 | NCI-14893)
Show SMILES COc1cc(NC[C@](C)(O)N(CC(C)C)CC(C)C)c2nc(C)ccc2c1
Show InChI InChI=1S/C22H35N3O2/c1-15(2)12-25(13-16(3)4)22(6,26)14-23-20-11-19(27-7)10-18-9-8-17(5)24-21(18)20/h8-11,15-16,23,26H,12-14H2,1-7H3/t22-/m0/s1
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n/an/a 6.91E+5n/an/an/an/an/an/a



Veterans Affairs Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CDK6/Cyclin D1 by FRET assay


Bioorg Med Chem Lett 20: 403-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.046
BindingDB Entry DOI: 10.7270/Q2GH9K7Q
More data for this
Ligand-Target Pair