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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-phosphoinositide dependent protein kinase-1' and Ligand = 'BDBM92403'   
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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM92403
PNG
(PDK1 inhibitor, 4)
Show SMILES COc1ccc(cc1)C#Cc1ccc2ncc3ncn(-c4ccc(CCN)cc4)c3c2c1
Show InChI InChI=1S/C27H22N4O/c1-32-23-11-6-19(7-12-23)2-3-21-8-13-25-24(16-21)27-26(17-29-25)30-18-31(27)22-9-4-20(5-10-22)14-15-28/h4-13,16-18H,14-15,28H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 200n/an/an/an/a



Merck Research Laboratories



Assay Description
Enzyme potency (PDK1 EC50)was determined using recombinant, purified full-length human PDK1 enzyme and AKT-Thr-308-tide as substrate.


J Biol Chem 286: 6433-48 (2011)


Article DOI: 10.1074/jbc.M110.156463
BindingDB Entry DOI: 10.7270/Q21C1VGQ
More data for this
Ligand-Target Pair