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SMILES: CN(C)C(=O)COc1cc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)cc(c1)-c1c[nH]c2ncccc12

InChI Key: InChIKey=XMODJVJTYLGCJL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 366140   
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 [51-360]


(Homo sapiens (Human))		BDBM366140
PNG
(US9873693, Compound 63)
Show SMILES CN(C)C(=O)COc1cc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)cc(c1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C31H27F2N5O4/c1-37(2)28(39)18-42-22-12-20(11-21(14-22)25-16-35-29-23(25)5-3-9-34-29)15-36-30(40)24-6-4-10-38(31(24)41)17-19-7-8-26(32)27(33)13-19/h3-14,16H,15,17-18H2,1-2H3,(H,34,35)(H,36,40)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Duquesne University



Assay Description
A PDK1 kinase assay was performed as follows. PDK1 (amino acids 51-360) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) ...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2H41TRT
More data for this
Ligand-Target Pair