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SMILES: Fc1ccc(Cn2cccc(C(=O)NCc3cc(OC4CCCC4)cc(c3)-c3c[nH]c4ncccc34)c2=O)cc1F

InChI Key: InChIKey=WJIYHJKNCRQNPE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 366162   
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))		BDBM366162
PNG
(US9873693, Compound 85)
Show SMILES Fc1ccc(Cn2cccc(C(=O)NCc3cc(OC4CCCC4)cc(c3)-c3c[nH]c4ncccc34)c2=O)cc1F
Show InChI InChI=1S/C32H28F2N4O3/c33-28-10-9-20(15-29(28)34)19-38-12-4-8-26(32(38)40)31(39)37-17-21-13-22(16-24(14-21)41-23-5-1-2-6-23)27-18-36-30-25(27)7-3-11-35-30/h3-4,7-16,18,23H,1-2,5-6,17,19H2,(H,35,36)(H,37,39)
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