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BDBM92406 PDK1 inhibitor, 7

SMILES: Fc1ccc(Cn2cccc(C(=O)NC(COc3ccc4[nH]c(=O)[nH]c4c3)c3ccccc3)c2=O)cc1F

InChI Key: InChIKey=AHMXYULEXZAPCS-UHFFFAOYSA-N

Data: 1 EC50

PDB links: 2 PDB IDs match this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 92406   
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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM92406
PNG
(PDK1 inhibitor, 7)
Show SMILES Fc1ccc(Cn2cccc(C(=O)NC(COc3ccc4[nH]c(=O)[nH]c4c3)c3ccccc3)c2=O)cc1F
Show InChI InChI=1S/C28H20F2N4O4/c29-21-10-8-17(13-22(21)30)15-34-12-4-7-20(27(34)36)26(35)31-25(18-5-2-1-3-6-18)16-38-19-9-11-23-24(14-19)33-28(37)32-23/h1-14,25H,15-16H2,(H,31,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 1n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)