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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 5525   
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-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5525
PNG
(2-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}etha...)
Show SMILES OCCNc1nc(OCC2CCCCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C14H21N5O2/c20-7-6-15-14-18-12-11(16-9-17-12)13(19-14)21-8-10-4-2-1-3-5-10/h9-10,20H,1-8H2,(H2,15,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 47: 3710-22 (2004)


Article DOI: 10.1021/jm0311442
BindingDB Entry DOI: 10.7270/Q24J0C9Z
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5525
PNG
(2-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}etha...)
Show SMILES OCCNc1nc(OCC2CCCCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C14H21N5O2/c20-7-6-15-14-18-12-11(16-9-17-12)13(19-14)21-8-10-4-2-1-3-5-10/h9-10,20H,1-8H2,(H2,15,16,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+3n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 47: 3710-22 (2004)


Article DOI: 10.1021/jm0311442
BindingDB Entry DOI: 10.7270/Q24J0C9Z
More data for this
Ligand-Target Pair