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BDBM281896 3-({[5-(4-aminoquinazolin-6-yl) thiophen-2-yl]methyl}amino)- N-(3,4-difluorobenzyl)- N-methylpyrazine-2- carboxamide (TFA salt)::US10030016, Example 3.84

SMILES: CN(Cc1ccc(F)c(F)c1)C(=O)c1nccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1

InChI Key: InChIKey=FXTKUKLJKIWMTN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 281896   
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))
BDBM281896
PNG
(3-({[5-(4-aminoquinazolin-6-yl) thiophen-2-yl]meth...)
Show SMILES CN(Cc1ccc(F)c(F)c1)C(=O)c1nccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C26H21F2N7OS/c1-35(13-15-2-5-19(27)20(28)10-15)26(36)23-25(31-9-8-30-23)32-12-17-4-7-22(37-17)16-3-6-21-18(11-16)24(29)34-14-33-21/h2-11,14H,12-13H2,1H3,(H,31,32)(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