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Compile Data Set for Download or QSAR

Found 5 hits of ec50 for UniProtKB: P24941   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM370121
PNG
(6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcy...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O |r|
Show InChI InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1
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PC sid
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n/an/an/an/a 9n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM59253
PNG
(RGB-285961)
Show SMILES CC(C)c1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC(C)(C)C(O)=O)cc3)[nH]c(=O)c12 |(10.12,4.57,;8.61,4.25,;7.58,5.4,;8.13,2.79,;9.04,1.54,;8.13,.29,;8.61,-1.17,;10.1,-1.57,;11.19,-.48,;10.5,-3.06,;9.41,-4.15,;10.18,-5.48,;7.92,-3.75,;7.52,-2.26,;6.03,-1.86,;6.67,.77,;5.33,,;4,.77,;2.67,,;2.67,-1.54,;1.33,-2.31,;1.33,-3.85,;2.67,-4.62,;2.67,-6.16,;4,-6.93,;4,-8.47,;5.33,-7.7,;5.33,-6.16,;6.67,-6.93,;5.33,-4.62,;4,-3.85,;4,-2.31,;4,2.31,;5.33,3.08,;5.33,4.62,;6.67,2.31,)|
Show InChI InChI=1S/C25H23Cl3N4O4/c1-12(2)20-19-22(32(31-20)21-16(27)10-14(26)11-17(21)28)29-18(30-23(19)33)9-13-5-7-15(8-6-13)36-25(3,4)24(34)35/h5-8,10-12H,9H2,1-4H3,(H,34,35)(H,29,30,33)
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Article
PubMed
n/an/a 20n/a 70n/an/an/an/a



GPC Biotech Incorporated



Assay Description
CAII assays were performed at CEREP (paris). All other kinase assays were performed at Upstate (Dundee, UK).


Chem Biol 13: 711-22 (2006)


Article DOI: 10.1016/j.chembiol.2006.05.008
BindingDB Entry DOI: 10.7270/Q2WM1BT5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM253941
PNG
(US9464092, GG | US9527857, 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/an/an/a<100n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin E


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM253928
PNG
(US10189849, Compound 27 | US10927120, Compound 27 ...)
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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PC cid
PC sid
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Article
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n/an/an/an/a<100n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin E


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM370258
PNG
(BDBM467153 | US10233188, Example 145)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n(C3CCCC3)c2n1
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n/an/an/an/a 200n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair