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PubMed code 21986585

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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 2


(Homo sapiens (Human))
BDBM5566
PNG
(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)
Show SMILES Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)
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PC sid
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MMDB
PDB
Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (IUBO-AG)

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 21: 6641-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.069
BindingDB Entry DOI: 10.7270/Q22B8ZDP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM5566
PNG
(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)
Show SMILES Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)
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MCE
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PC cid
PC sid
PDB
UniChem

Patents


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Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (IUBO-AG)

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 21: 6641-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.069
BindingDB Entry DOI: 10.7270/Q22B8ZDP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%