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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 10135   
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 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM516028
PNG
(US11053238, Compound 1a | US11053238, Compound 1b)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCC5(CC5)n4c3c2)nc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem
US Patent
n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM516275
PNG
(US11053238, Compound 15b)
Show SMILES C[C@H]1COCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r|
PDB
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KEGG

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM516039
PNG
(US11053238, Compound 2a | US11053238, Compound 2b)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCCn4c3c2)nc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
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US Patent
n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM515904
PNG
(4-(6-fluoro-1- methyl-1,2,3,4- tetrahydrobenzo[4,5...)
Show SMILES CC1CCCc2nc3c(F)cc(cc3n12)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(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 2n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM515905
PNG
(N-(5-((4-ethylpiperazin- 1-yl)methyl) pyridin-2-yl...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCC(C)n5c4c3)nc2)CC1
PDB
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KEGG

UniProtKB/SwissProt

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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM515904
PNG
(4-(6-fluoro-1- methyl-1,2,3,4- tetrahydrobenzo[4,5...)
Show SMILES CC1CCCc2nc3c(F)cc(cc3n12)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
PDB
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(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 2n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM516028
PNG
(US11053238, Compound 1a | US11053238, Compound 1b)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCC5(CC5)n4c3c2)nc1
PDB
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM515923
PNG
(US11053238, Compound 16b | US11053238, Example 16b)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5COC[C@H](C)n5c4c3)nc2)CC1 |r|
PDB
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM515951
PNG
(US11053238, Com. EX. 5)
Show SMILES CC1(C)CCCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)ncc1F
PDB
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM515923
PNG
(US11053238, Compound 16b | US11053238, Example 16b)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5COC[C@H](C)n5c4c3)nc2)CC1 |r|
PDB
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KEGG

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM516039
PNG
(US11053238, Compound 2a | US11053238, Compound 2b)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCCn4c3c2)nc1
PDB
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KEGG

UniProtKB/SwissProt

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n/an/a 4.10n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM516050
PNG
(US11053238, Compound 15a)
Show SMILES C[C@@H]1COCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r|
PDB
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KEGG

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antibodypedia
antibodypedia
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UniChem
US Patent
n/an/a 6.70n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM515983
PNG
(US11053238, Com. EX. 6)
Show SMILES CC1(C)CCCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F
PDB
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM515905
PNG
(N-(5-((4-ethylpiperazin- 1-yl)methyl) pyridin-2-yl...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCC(C)n5c4c3)nc2)CC1
PDB
MMDB

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UniProtKB/SwissProt

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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/6


(Homo sapiens (Human))
BDBM515983
PNG
(US11053238, Com. EX. 6)
Show SMILES CC1(C)CCCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/6


(Homo sapiens (Human))
BDBM515951
PNG
(US11053238, Com. EX. 5)
Show SMILES CC1(C)CCCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)ncc1F
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM516065
PNG
(US11053238, Compound 16a)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5COC[C@@H](C)n5c4c3)nc2)CC1 |r|
PDB
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KEGG

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UniChem
US Patent
n/an/a 17.6n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/6


(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 22n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 4/6


(Homo sapiens (Human))
BDBM516039
PNG
(US11053238, Compound 2a | US11053238, Compound 2b)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCCn4c3c2)nc1
PDB

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antibodypedia
antibodypedia
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PC cid
PC sid
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US Patent
n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/6


(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 22n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 4/6


(Homo sapiens (Human))
BDBM516275
PNG
(US11053238, Compound 15b)
Show SMILES C[C@H]1COCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/6


(Homo sapiens (Human))
BDBM516028
PNG
(US11053238, Compound 1a | US11053238, Compound 1b)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCC5(CC5)n4c3c2)nc1
PDB

UniProtKB/SwissProt

antibodypedia
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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/6


(Homo sapiens (Human))
BDBM515904
PNG
(4-(6-fluoro-1- methyl-1,2,3,4- tetrahydrobenzo[4,5...)
Show SMILES CC1CCCc2nc3c(F)cc(cc3n12)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
US Patent
n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/6


(Homo sapiens (Human))
BDBM515904
PNG
(4-(6-fluoro-1- methyl-1,2,3,4- tetrahydrobenzo[4,5...)
Show SMILES CC1CCCc2nc3c(F)cc(cc3n12)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


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BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/6


(Homo sapiens (Human))
BDBM515905
PNG
(N-(5-((4-ethylpiperazin- 1-yl)methyl) pyridin-2-yl...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCC(C)n5c4c3)nc2)CC1
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


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BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2


(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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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


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BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM515951
PNG
(US11053238, Com. EX. 5)
Show SMILES CC1(C)CCCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)ncc1F
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


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BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/6


(Homo sapiens (Human))
BDBM515923
PNG
(US11053238, Compound 16b | US11053238, Example 16b)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5COC[C@H](C)n5c4c3)nc2)CC1 |r|
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


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BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM515983
PNG
(US11053238, Com. EX. 6)
Show SMILES CC1(C)CCCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


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BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/6


(Homo sapiens (Human))
BDBM515923
PNG
(US11053238, Compound 16b | US11053238, Example 16b)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5COC[C@H](C)n5c4c3)nc2)CC1 |r|
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


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BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM515986
PNG
(US11053238, Com. EX. No. 7)
Show SMILES CC1CCCn2c1nc1c(F)cc(cc21)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


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BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(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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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/6


(Homo sapiens (Human))
BDBM516039
PNG
(US11053238, Compound 2a | US11053238, Compound 2b)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCCn4c3c2)nc1
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/6


(Homo sapiens (Human))
BDBM515986
PNG
(US11053238, Com. EX. No. 7)
Show SMILES CC1CCCn2c1nc1c(F)cc(cc21)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


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BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(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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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/6


(Homo sapiens (Human))
BDBM516028
PNG
(US11053238, Compound 1a | US11053238, Compound 1b)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCC5(CC5)n4c3c2)nc1
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/6


(Homo sapiens (Human))
BDBM516050
PNG
(US11053238, Compound 15a)
Show SMILES C[C@@H]1COCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |r|
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/6


(Homo sapiens (Human))
BDBM516065
PNG
(US11053238, Compound 16a)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5COC[C@@H](C)n5c4c3)nc2)CC1 |r|
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM515904
PNG
(4-(6-fluoro-1- methyl-1,2,3,4- tetrahydrobenzo[4,5...)
Show SMILES CC1CCCc2nc3c(F)cc(cc3n12)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM515905
PNG
(N-(5-((4-ethylpiperazin- 1-yl)methyl) pyridin-2-yl...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCC(C)n5c4c3)nc2)CC1
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM515923
PNG
(US11053238, Compound 16b | US11053238, Example 16b)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5COC[C@H](C)n5c4c3)nc2)CC1 |r|
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


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BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
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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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM516039
PNG
(US11053238, Compound 2a | US11053238, Compound 2b)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCCCn4c3c2)nc1
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


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BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM515905
PNG
(N-(5-((4-ethylpiperazin- 1-yl)methyl) pyridin-2-yl...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCC(C)n5c4c3)nc2)CC1
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


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BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM515992
PNG
(US11053238, Com. EX. No. 8)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)Cn5c4c3)nc2)CC1
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM516007
PNG
(US11053238, Com. EX. No. 9)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CC(C)CCn5c4c3)nc2)CC1
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


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BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM516019
PNG
(US11053238, Com. EX. No. 10)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5C(C)CCCn5c4c3)nc2)CC1
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


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BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM515905
PNG
(N-(5-((4-ethylpiperazin- 1-yl)methyl) pyridin-2-yl...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCC(C)n5c4c3)nc2)CC1
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To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2959MRV
More data for this
Ligand-Target Pair
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