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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 6/G1/S-specific cyclin D1'   
Target
(Institution)
LigandTarget
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))
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...


Citation and Details
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)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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...


Citation and Details
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)


Citation and Details
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


Citation and Details
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 London

Curated by ChEMBL


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


Citation and Details
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


Citation and Details
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 London

Curated by ChEMBL


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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
More data for this
Ligand-Target Pair