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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for UniProtKB: P20248   
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-A2 [171-432]/Cyclin-dependent kinase 2 [F82H,L83V,H84D]


(Homo sapiens (Human))
BDBM5544
PNG
(4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benz...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)
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PDB
Article
PubMed
n/an/a 103n/an/an/an/a7.530



University of Oxford



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 12.5 uM ATP/ [ga...


J Med Chem 49: 5470-7 (2006)


Article DOI: 10.1021/jm060216x
BindingDB Entry DOI: 10.7270/Q2TQ5ZS3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 [F82H,L83V,H84D]


(Homo sapiens (Human))
BDBM12082
PNG
(((2-chloro-5-methyl-phenyl)-{6-[4-(3-(dimethylamin...)
Show SMILES CN(C)C[C@@H](O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2cc(C)ccc2Cl)cc1 |r|
Show InChI InChI=1S/C24H27ClN6O2/c1-17-4-9-21(25)22(12-17)31(11-10-26)24-13-23(27-16-28-24)29-18-5-7-20(8-6-18)33-15-19(32)14-30(2)3/h4-9,12-13,16,19,32H,11,14-15H2,1-3H3,(H,27,28,29)/t19-/m1/s1
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 7.30E+3n/an/an/an/a7.530



University of Oxford



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 12.5 uM ATP/ [ga...


J Med Chem 49: 5470-7 (2006)


Article DOI: 10.1021/jm060216x
BindingDB Entry DOI: 10.7270/Q2TQ5ZS3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)