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BDBM281895 3-(((5-(4-aminoquinazolin-6-yl) thiophen-2-yl)methyl)amino)- 6-cyano-N-(4- fluorobenzyl)pyrazine-2- carboxamide (TFA salt)::US10030016, Example 3.83

SMILES: Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncc(nc2C(=O)NCc2ccc(F)cc2)C#N)s1

InChI Key: InChIKey=LKMWTLHLPCFPPK-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 281895   
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))
BDBM281895
PNG
(3-(((5-(4-aminoquinazolin-6-yl) thiophen-2-yl)meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncc(nc2C(=O)NCc2ccc(F)cc2)C#N)s1
Show InChI InChI=1S/C26H19FN8OS/c27-17-4-1-15(2-5-17)11-32-26(36)23-25(30-12-18(10-28)35-23)31-13-19-6-8-22(37-19)16-3-7-21-20(9-16)24(29)34-14-33-21/h1-9,12,14H,11,13H2,(H,30,31)(H,32,36)(H2,29,33,34)
GoogleScholar
AffyNet 
UniChem
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)

More data for this
Ligand-Target Pair