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SMILES: NC(=O)c1cnc2[nH]cc(-c3cccc(CNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)c3)c2c1

InChI Key: InChIKey=CQJAFQSJVXNHAK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 366103   
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))		BDBM366103
PNG
(US9873693, Compound 26)
Show SMILES NC(=O)c1cnc2[nH]cc(-c3cccc(CNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)c3)c2c1
Show InChI InChI=1S/C28H21F2N5O3/c29-23-7-6-17(10-24(23)30)15-35-8-2-5-20(28(35)38)27(37)34-12-16-3-1-4-18(9-16)22-14-33-26-21(22)11-19(13-32-26)25(31)36/h1-11,13-14H,12,15H2,(H2,31,36)(H,32,33)(H,34,37)
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