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SMILES: Nc1cnc(cn1)-c1ccc(CNc2ncc(cc2C(=O)NCc2cncc(F)c2)C#N)cc1

InChI Key: InChIKey=FYCLVIKFNQTKJZ-UHFFFAOYSA-N

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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 = 282432   
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 [51-359]


(Homo sapiens (Human))		BDBM282432
PNG
(2-(4-(5-aminopyrazin-2-yl) benzylamino)-5-cyano-N-...)
Show SMILES Nc1cnc(cn1)-c1ccc(CNc2ncc(cc2C(=O)NCc2cncc(F)c2)C#N)cc1
Show InChI InChI=1S/C24H19FN8O/c25-19-5-17(8-28-12-19)11-33-24(34)20-6-16(7-26)10-32-23(20)31-9-15-1-3-18(4-2-15)21-13-30-22(27)14-29-21/h1-6,8,10,12-14H,9,11H2,(H2,27,30)(H,31,32)(H,33,34)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...

US Patent US10030016 (2018)


BindingDB Entry DOI: 10.7270/Q2S46V16
More data for this
Ligand-Target Pair