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BDBM281822 2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]methyl}amino)- N-(2,3-difluorobenzyl)pyridine- 3-carboxamide (TFA salt)::US10030016, Example 3.10

SMILES: Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncccc2C(=O)NCc2cccc(F)c2F)s1

InChI Key: InChIKey=IEZHBMQDMGZKJM-UHFFFAOYSA-N

Data: 1 IC50

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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 = 281822   
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))
BDBM281822
PNG
(2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncccc2C(=O)NCc2cccc(F)c2F)s1
Show InChI InChI=1S/C26H20F2N6OS/c27-20-5-1-3-16(23(20)28)12-32-26(35)18-4-2-10-30-25(18)31-13-17-7-9-22(36-17)15-6-8-21-19(11-15)24(29)34-14-33-21/h1-11,14H,12-13H2,(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