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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with Target = 'CDK6/G1/S-specific cyclin D3' AND taxid = 9606   
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
CDK6/G1/S-specific cyclin D3


(Homo sapiens (human)-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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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)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6 (CDK6)


(Homo sapiens (human)-Homo sapiens (Human))
BDBM253925
PNG
(US9464092, Q)
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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US Patent
n/an/a 4.38n/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)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6 (CDK6)


(Homo sapiens (human)-Homo sapiens (Human))
BDBM253941
PNG
(US9464092, GG)
Show SMILES CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C26H34N8O/c1-18(2)32-10-12-33(13-11-32)20-6-7-22(27-16-20)30-25-28-15-19-14-21-24(35)29-17-26(8-4-3-5-9-26)34(21)23(19)31-25/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,29,35)(H,27,28,30,31)
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n/an/a 4.70n/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)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6 (CDK6)


(Homo sapiens (human)-Homo sapiens (Human))
BDBM253928
PNG
(US9464092, T)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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n/an/a 5.64n/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)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6 (CDK6)


(Homo sapiens (human)-Homo sapiens (Human))
BDBM253929
PNG
(US9464092, U)
Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21
Show InChI InChI=1S/C28H36N8O2/c37-26-23-16-20-17-30-27(33-25(20)36(23)28(19-31-26)8-2-1-3-9-28)32-24-5-4-22(18-29-24)34-10-6-21(7-11-34)35-12-14-38-15-13-35/h4-5,16-18,21H,1-3,6-15,19H2,(H,31,37)(H,29,30,32,33)
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n/an/a 5.99n/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)

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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50420304
PNG
(CHEMBL2089065 | US8598217, 165)
Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C30H27N7O/c1-36(2)22-11-13-37(14-12-22)27-10-9-26-29(34-27)35-30(33-26)28(38)19-7-8-20(16-31)24(15-19)25-18-32-17-21-5-3-4-6-23(21)25/h3-10,15,17-18,22H,11-14H2,1-2H3,(H,33,34,35)
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 120 mins by TR-FRET assay


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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM107751
PNG
(CHEMBL2089063 | US8598217, 89)
Show SMILES CN(C)C1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C29H28N6O/c1-34(2)21-10-13-35(14-11-21)22-7-8-25-27(16-22)33-29(32-25)28(36)19-9-12-31-26(15-19)24-18-30-17-20-5-3-4-6-23(20)24/h3-9,12,15-18,21H,10-11,13-14H2,1-2H3,(H,32,33)
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n/an/a 49n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 120 mins by TR-FRET assay


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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50420305
PNG
(CHEMBL2089057 | US8598217, 173)
Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1c(C)nn(C)c1C
Show InChI InChI=1S/C27H30N8O/c1-16-24(17(2)34(5)32-16)21-14-18(6-7-19(21)15-28)25(36)27-29-22-8-9-23(30-26(22)31-27)35-12-10-20(11-13-35)33(3)4/h6-9,14,20H,10-13H2,1-5H3,(H,29,30,31)
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n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 120 mins by TR-FRET assay


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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50113281
PNG
(AT-7519)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1
Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
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n/an/a<200n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


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


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

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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50330265
PNG
(CHEMBL1271563 | [4-(5-Bromo-3-isopropyl-1H-pyrazol...)
Show SMILES CC(C)c1[nH]nc(Br)c1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C16H23BrN6/c1-10(2)14-13(15(17)22-21-14)12-4-7-18-16(20-12)19-11-5-8-23(3)9-6-11/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,21,22)(H,18,19,20)
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n/an/a 231n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/cyclin D3 after 2 hrs by TR-FRET assay


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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM59227
PNG
(Pyrazolopyrimidone analog, RGB-286147)
Show SMILES CC(C)c1nn(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCO)cc3)[nH]c(=O)c12
Show InChI InChI=1S/C23H22Cl2N4O3/c1-13(2)20-19-22(29(28-20)21-16(24)4-3-5-17(21)25)26-18(27-23(19)31)12-14-6-8-15(9-7-14)32-11-10-30/h3-9,13,30H,10-12H2,1-2H3,(H,26,27,31)
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n/an/a 282n/an/an/an/an/an/a



GPC Biotech, Inc.



Assay Description
Inhibition of in vitro kinase activity of purified CDKs.


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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM59227
PNG
(Pyrazolopyrimidone analog, RGB-286147)
Show SMILES CC(C)c1nn(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCO)cc3)[nH]c(=O)c12
Show InChI InChI=1S/C23H22Cl2N4O3/c1-13(2)20-19-22(29(28-20)21-16(24)4-3-5-17(21)25)26-18(27-23(19)31)12-14-6-8-15(9-7-14)32-11-10-30/h3-9,13,30H,10-12H2,1-2H3,(H,26,27,31)
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n/an/a 282n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Cdk6/cyclin D3


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50420303
PNG
(CHEMBL2089064 | US8598217, 135)
Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccnc(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C28H27N7O/c1-34(2)20-10-13-35(14-11-20)25-8-7-23-27(32-25)33-28(31-23)26(36)18-9-12-30-24(15-18)22-17-29-16-19-5-3-4-6-21(19)22/h3-9,12,15-17,20H,10-11,13-14H2,1-2H3,(H,31,32,33)
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 120 mins by TR-FRET assay


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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50169892
PNG
(3-{4-[4-(3-Chloro-phenylamino)-[1,3,5]triazin-2-yl...)
Show SMILES OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H17ClN6O/c18-13-3-1-4-14(10-13)23-17-22-11-21-16(24-17)12-5-7-20-15(9-12)19-6-2-8-25/h1,3-5,7,9-11,25H,2,6,8H2,(H,19,20)(H,21,22,23,24)
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n/an/a 356n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK6/cyclin D3


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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50079331
PNG
(2-(2-Chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-m...)
Show SMILES CN1CCC([C@@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12?,17-/m0/s1
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n/an/a 663n/an/an/an/an/an/a



GPC Biotech, Inc.



Assay Description
Inhibition of in vitro kinase activity of purified CDKs.


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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50330264
PNG
(CHEMBL1271511 | [5-Bromo-4-(3-isopropyl-1H-pyrazol...)
Show SMILES CC(C)c1[nH]ncc1-c1nc(NC2CCN(C)CC2)ncc1Br
Show InChI InChI=1S/C16H23BrN6/c1-10(2)14-12(8-19-22-14)15-13(17)9-18-16(21-15)20-11-4-6-23(3)7-5-11/h8-11H,4-7H2,1-3H3,(H,19,22)(H,18,20,21)
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n/an/a 737n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/cyclin D3 after 2 hrs by TR-FRET assay


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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50420307
PNG
(CHEMBL2089062)
Show SMILES CN(C)C1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cccnc1
Show InChI InChI=1S/C25H26N6O/c1-30(2)19-8-12-31(13-9-19)20-5-6-21-23(15-20)29-25(28-21)24(32)17-7-11-27-22(14-17)18-4-3-10-26-16-18/h3-7,10-11,14-16,19H,8-9,12-13H2,1-2H3,(H,28,29)
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 30 mins by ELISA


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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50425008
PNG
(CHEMBL2312185)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C#N
Show InChI InChI=1S/C21H24N8S/c1-14-19(30-21(23-2)26-14)18-15(12-22)13-25-20(28-18)27-16-5-3-6-17(11-16)29-9-4-7-24-8-10-29/h3,5-6,11,13,24H,4,7-10H2,1-2H3,(H,23,26)(H,25,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK6/Cyclin D3 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50420306
PNG
(CHEMBL2089060)
Show SMILES O=C(c1ccc[nH]1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H9N3O/c16-11(10-6-3-7-13-10)12-14-8-4-1-2-5-9(8)15-12/h1-7,13H,(H,14,15)
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n/an/a 7.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 30 mins by ELISA


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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50330263
PNG
(4-(3-Isopropyl-5-methyl-1H-pyrazol-4-yl)-pyrimidin...)
Show SMILES CC(C)c1n[nH]c(C)c1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C17H26N6/c1-11(2)16-15(12(3)21-22-16)14-5-8-18-17(20-14)19-13-6-9-23(4)10-7-13/h5,8,11,13H,6-7,9-10H2,1-4H3,(H,21,22)(H,18,19,20)
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n/an/a 7.77E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/cyclin D3 after 2 hrs by TR-FRET assay


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


(Homo sapiens (human)-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 D3 using RP protein as substrate


Bioorg Med Chem 24: 521-44 (2016)

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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50425864
PNG
(CHEMBL2312649)
Show SMILES CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C25H35Cl2N7O/c1-33(2)21-6-4-18(5-7-21)29-23-22(24(35)30-19-8-10-34(3)11-9-19)15-28-25(32-23)31-20-13-16(26)12-17(27)14-20/h12-15,18-19,21H,4-11H2,1-3H3,(H,30,35)(H2,28,29,31,32)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50425862
PNG
(CHEMBL2312654)
Show SMILES CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1
Show InChI InChI=1S/C22H26Cl2N6O/c1-13-8-20(31-29-13)19-12-25-22(27-17-10-14(23)9-15(24)11-17)28-21(19)26-16-4-6-18(7-5-16)30(2)3/h8-12,16,18H,4-7H2,1-3H3,(H2,25,26,27,28)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM5718
PNG
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Cdk6/cyclin D3


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair