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SMILES: C[C@H](NC(=O)c1nc(cnc1NCc1ccc(cc1)-c1cn(CCN)c2ncnc(N)c12)C#N)c1ccc(F)c(F)c1

InChI Key: InChIKey=BSBDABRBFLAMDM-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 = 282439   
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))		BDBM282439
PNG
((S)-3-(4-(4-amino-7- (2-aminoethyl)- 7H-pyrrolo[2,...)
Show SMILES C[C@H](NC(=O)c1nc(cnc1NCc1ccc(cc1)-c1cn(CCN)c2ncnc(N)c12)C#N)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C29H26F2N10O/c1-16(19-6-7-22(30)23(31)10-19)39-29(42)25-27(36-13-20(11-33)40-25)35-12-17-2-4-18(5-3-17)21-14-41(9-8-32)28-24(21)26(34)37-15-38-28/h2-7,10,13-16H,8-9,12,32H2,1H3,(H,35,36)(H,39,42)(H2,34,37,38)/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