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

InChI Key: InChIKey=SGGMGFCVDWNJMA-IBGZPJMESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 282436   
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))		BDBM282436
PNG
((S)-3-(4-(4-amino-7- (3-(dimethylamino) propyl)-7H...)
Show SMILES C[C@H](NC(=O)c1nc(cnc1NCc1ccc(cc1)-c1cn(CCCN(C)C)c2ncnc(N)c12)C#N)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C32H32F2N10O/c1-19(22-9-10-25(33)26(34)13-22)41-32(45)28-30(38-16-23(14-35)42-28)37-15-20-5-7-21(8-6-20)24-17-44(12-4-11-43(2)3)31-27(24)29(36)39-18-40-31/h5-10,13,16-19H,4,11-12,15H2,1-3H3,(H,37,38)(H,41,45)(H2,36,39,40)/t19-/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