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Compile Data Set for Download or QSAR

Found 2 hits from Cetek Corporation   
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
AKT/p21CIP1


(Homo sapiens (human))
BDBM50242174
PNG
(4,5,6-trihydroxy-3-methylphthalide | CHEMBL486813)
Show SMILES CC1OC(=O)c2cc(O)c(O)c(O)c12
Show InChI InChI=1S/C9H8O5/c1-3-6-4(9(13)14-3)2-5(10)7(11)8(6)12/h2-3,10-12H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.97E+4n/an/an/an/an/an/a



Cetek Corporation

Curated by ChEMBL


Assay Description
Inhibition of sulfhydryl-labeled human recombinant Akt1 expressed in baculovirus by affinity capillary electrophoresis assay


J Nat Prod 67: 2086-9 (2004)


Article DOI: 10.1021/np040123n
BindingDB Entry DOI: 10.7270/Q21G0M06
More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50242174
PNG
(4,5,6-trihydroxy-3-methylphthalide | CHEMBL486813)
Show SMILES CC1OC(=O)c2cc(O)c(O)c(O)c12
Show InChI InChI=1S/C9H8O5/c1-3-6-4(9(13)14-3)2-5(10)7(11)8(6)12/h2-3,10-12H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.04E+4n/an/an/an/an/an/a



Cetek Corporation

Curated by ChEMBL


Assay Description
Inhibition of sulfhydryl-labeled human recombinant Akt1 expressed in baculovirus assessed as phosphorylation of recombinant Bad protein by western bl...


J Nat Prod 67: 2086-9 (2004)


Article DOI: 10.1021/np040123n
BindingDB Entry DOI: 10.7270/Q21G0M06
More data for this
Ligand-Target Pair