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Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 50013195   
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 5


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated Histone H1 peptide as substrate incuba...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CDK2 (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated Histone H1 peptide as substrate incuba...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CDK1 (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated Histone H1 peptide as substrate incuba...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CDK9 (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated Histone H1 peptide as substrate incuba...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(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 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK4/cyclin D (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-T1/Cyclin-dependent kinase 9


(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 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50113342
PNG
(CHEMBL518383)
Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C17H11F3N4O2/c18-9-4-6-10(7-5-9)22-17(26)15-13(8-21-24-15)23-16(25)14-11(19)2-1-3-12(14)20/h1-8H,(H,21,24)(H,22,26)(H,23,25)
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50563497
PNG
(CHEMBL4756673)
Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)[S@@](=N)(=O)C2CC2)ncc1C(F)(F)F |r|
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged CDK1/cyclin B expressed in Sf9 cells using histone 3S as substrate incubated for 10 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50563491
PNG
(CHEMBL4740416)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50563497
PNG
(CHEMBL4756673)
Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)[S@@](=N)(=O)C2CC2)ncc1C(F)(F)F |r|
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged CDK2/cyclin E expressed in Sf9 cells using histone 3S as substrate incubated for 10 mins in presence of AT...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


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


TBA

Assay Description
Inhibition of CDK9/cyclin T (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


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


TBA

Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/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 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK4/cyclin D (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50113342
PNG
(CHEMBL518383)
Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C17H11F3N4O2/c18-9-4-6-10(7-5-9)22-17(26)15-13(8-21-24-15)23-16(25)14-11(19)2-1-3-12(14)20/h1-8H,(H,21,24)(H,22,26)(H,23,25)
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B1 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50563488
PNG
(CHEMBL4751481)
Show SMILES Oc1cccc(c1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK4/cyclin D (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
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 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B1 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(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 32n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50563481
PNG
(CHEMBL4750417)
Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(-c3ccncc3)c2F)cc1
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n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(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 47n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2


(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 47n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate measured after 4 hrs in presence of ATP by radiometric filter-binding assa...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50563482
PNG
(CHEMBL4754297)
Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(-c3ccc(F)nc3)c2F)cc1
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n/an/a 51n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50563486
PNG
(CHEMBL4757951)
Show SMILES NC(=O)c1ccc(cn1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
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n/an/a 58n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50563493
PNG
(CHEMBL4789896)
Show SMILES CN1CCN(CCNC(=O)c2cccc(c2)-c2ccc(F)c(C(=O)Nc3c[nH]nc3C(=O)Nc3ccc(F)cc3)c2F)CC1
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n/an/a 67n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50563491
PNG
(CHEMBL4740416)
Show SMILES NC(=O)c1cccc(c1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
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n/an/a 69n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B1 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(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 72n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK4/cyclin D3 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50563494
PNG
(CHEMBL4781622)
Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(c2F)-c2cccc(c2)C(=O)NCCCN2CCOCC2)cc1
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n/an/a 73n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50563489
PNG
(CHEMBL4758499)
Show SMILES OCc1cccc(c1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
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n/an/a 76n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50563492
PNG
(CHEMBL4795774)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)-c2ccc(F)c(C(=O)Nc3c[nH]nc3C(=O)Nc3ccc(F)cc3)c2F)CC1
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n/an/a 82n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50563487
PNG
(CHEMBL4787022)
Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(-c3ccccc3)c2F)cc1
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n/an/a 86n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(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 89n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B1 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(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 |r|
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 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK2/cyclin E (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 3/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50563486
PNG
(CHEMBL4757951)
Show SMILES NC(=O)c1ccc(cn1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
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n/an/a 113n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK3/cyclin E1 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50563485
PNG
(CHEMBL4783702)
Show SMILES Nc1ccc(cn1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
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n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50563484
PNG
(CHEMBL4794559)
Show SMILES COc1ccc(cn1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
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n/an/a 144n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50563483
PNG
(CHEMBL4749644)
Show SMILES Cc1ccc(cn1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
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n/an/a 164n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50563495
PNG
(CHEMBL4786351)
Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(c2F)-c2cc(ccc2F)C(=O)NCCCN2CCOCC2)cc1
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n/an/a 169n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
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 170n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK2/cyclin E (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(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 170n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK6/cyclin D3 (unknown origin) incubated for 30 mins in presence of ATP by fluorescence based analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(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 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(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 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His6-tagged human full length CDK1/N-terminal GST-tagged human full length cyclin B expressed in baculovirus infected Sf21 c...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50563490
PNG
(CHEMBL4799539)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
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n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(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 230n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50563488
PNG
(CHEMBL4751481)
Show SMILES Oc1cccc(c1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
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n/an/a 236n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B1 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50113349
PNG
(CHEMBL457388)
Show SMILES Fc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1
Show InChI InChI=1S/C16H17F2N5O2/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 250n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50563482
PNG
(CHEMBL4754297)
Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(-c3ccc(F)nc3)c2F)cc1
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n/an/a 278n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B1 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50563481
PNG
(CHEMBL4750417)
Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(-c3ccncc3)c2F)cc1
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n/an/a 306n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B1 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
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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n/an/a 347n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CDK2/cyclin E (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50563493
PNG
(CHEMBL4789896)
Show SMILES CN1CCN(CCNC(=O)c2cccc(c2)-c2ccc(F)c(C(=O)Nc3c[nH]nc3C(=O)Nc3ccc(F)cc3)c2F)CC1
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n/an/a 350n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK1/cyclin B1 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 3/G1/S-specific cyclin-E1


(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 360n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CDK3/cyclin E1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113281
BindingDB Entry DOI: 10.7270/Q2TX3K3W
More data for this
Ligand-Target Pair
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