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SMILES: C[C@H](NC(=O)c1cc(cnc1NCC#Cc1ccc2nc(N)ncc2c1)C#N)c1ccc(F)cc1

InChI Key: InChIKey=VNWUGXLHZQZQBA-INIZCTEOSA-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 = 282377   
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))		BDBM282377
PNG
((S)-2-(3-(2-aminoquinazolin- 6-yl)prop-2-ynylamino...)
Show SMILES C[C@H](NC(=O)c1cc(cnc1NCC#Cc1ccc2nc(N)ncc2c1)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H20FN7O/c1-16(19-5-7-21(27)8-6-19)33-25(35)22-12-18(13-28)14-31-24(22)30-10-2-3-17-4-9-23-20(11-17)15-32-26(29)34-23/h4-9,11-12,14-16H,10H2,1H3,(H,30,31)(H,33,35)(H2,29,32,34)/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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