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BDBM281830 2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]methyl}amino)- N-(5-fluoro-2-methylbenzyl) pyridine-3-carboxamide (TFA salt)::US10030016, Example 3.18

SMILES: Cc1ccc(F)cc1CNC(=O)c1cccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1

InChI Key: InChIKey=BSPZVRFAPJDHFV-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 281830   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3-phosphoinositide-dependent protein kinase 1 (aa 51-359)


(Homo sapiens (Human))
BDBM281830
PNG
(2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Cc1ccc(F)cc1CNC(=O)c1cccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C27H23FN6OS/c1-16-4-6-19(28)11-18(16)13-32-27(35)21-3-2-10-30-26(21)31-14-20-7-9-24(36-20)17-5-8-23-22(12-17)25(29)34-15-33-23/h2-12,15H,13-14H2,1H3,(H,30,31)(H,32,35)(H2,29,33,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Sunesis 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